Crystal structure of µ 2 -1,2-bis[(4-
methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2κ 2 C
3: C 1 dicarbonyl-1κ 2 C -[µ 2
-methylenebis(diphenylphosphane)-1:2κ 2 P : P
'](triphenylphosphane-2κ P )ironplatinum( Fe - Pt ),
[(OC) 2 Fe(µ-dppm)µ-C(=O)C(4-MeC 6 H 4 SCH 2
)=CCH 2 SC 6 H 4 Me-4Pt(PPh 3 )]

Ahmed Said Mohamed, Isabelle Jourdain, Michael Knorr, Lukas Brieger,
Carsten Strohmann

► To cite this version:

Ahmed Said Mohamed, Isabelle Jourdain, Michael Knorr, Lukas Brieger, Carsten Strohmann. Crystal structure of µ 2 -1,2-bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2κ 2 C 3: C 1 dicarbonyl-1κ 2 C -[µ 2 -methylenebis(diphenylphosphane)-1:2κ 2 P : P '](triphenylphosphane-2κ P )ironplatinum( Fe - Pt ), [(OC) 2 Fe(µ-dppm)µ-C(=O)C(4-MeC 6 H 4 SCH 2 )=CCH 2 SC 6 H 4 Me-4Pt(PPh 3 )]. Acta crystallographica Section E: Crystallographic communications [2015-..], 2020, 76 (7), pp.1087-1091. 10.1107/S2056989020007859 . hal-02871968

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Acta Cryst.

E

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN 2056-9890

Received 15 May 2020

Accepted 10 June 2020

Edited by S. Parkin, University of Kentucky, USA

**Keywords:** crystal structure; internal alkyne; iron; platinum; heterobimetallic; metal–metal bond; dimetallic cyclopentenone; bis(diphenyl-phosphino)methane; thioether; hydrogen bonding.

CCDC reference: 1996804

**Supporting information:** this article has
supporting information at journals.iucr.org/e

Crystal structure of {μ₂-1,2-bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2κ²C³:С¹}-dicarbonyl-1κ²C-[μ₂-methylenebis(diphenylphosphane)-1:2κ²P:P']*(triphenylphosphane-2κP)-ironplatinum(Fe–Pt), [(OC)₂Fe(μ-dppm){μ-C(=O)-C(4-MeC₆H₄SCH₂)=CCH₂SC₆H₄Me-4}Pt(PPh₃)]

Ahmed Said Mohamed,ᵃ,ᵇ Isabelle Jourdain,ᵇ Michael Knorr,ᵇ Lukas Briegerᶜ and Carsten Strohmannᶜ*

ᵃCentre D'Etude et de Recherche de Djibouti, Djibouti, ᵇInstitut UTINAM UMR 6213 CNRS, Université Bourgogne Franche-Comté, 16 Route de Gray, 25030 Besançon, France, and ᶜInstitute for Inorganic Chemistry, Faculty of Chemistry and Chemical Biology, TU Dortmund University, Otto-Hahn Str. 6, 44227 Dortmund, Germany. *Correspondence e-mail: carsten.strohmann@tu-dortmund.de

The title compound, [FePt(C₁₉H₁₈OS₂)(C₁₈H₁₅P)(C₂₅H₂₂P₂)(CO)₂], **1**, [(OC)₂-Fe(μ-dppm)(μ-C(=O)C(CH₂SC₆H₄Me-4)=CCH₂SC₆H₄Me-4)Pt(PPh₃)], represents the first example of a diphosphane-bridged heterobimetallic Fe–Pt dimetallacyclopentenone complex resulting from a bimetallic activation of metal-coordinated carbonyl ligand with an internal alkyne, namely 1,4-bis(p-tolylthio)but-2-yne. The bridging μ₂-C(=O)C(CH₂SC₆H₄Me-4)=CCH₂SC₆H₄Me-4 unit (stemming from a carbon–carbon coupling reaction between CO and the triple bond of the alkyne dithioether) forms a five-membered dimetallacyclopentenone ring, in which the C=O bond is π-coordinated to the Fe center. The latter is connected to the Pt center through a short metal–metal bond of 2.5697 (6) Å.

**1. Chemical context**

Acetylenic dithioether ligands of type RSCH₂C≡CCH₂SR (R = aryl, alkyl) have in recent years not only attracted attention as reactive building blocks for further organic transformations (Pourcelot & Cadiot, 1966; Everhardus & Brandsma; 1978; Levanova et al., 2015) but also as promising ligands for coordination chemistry because of their dytopic character, allowing both coordination to soft metal centers through dative M←S bonding and π-bonding via the acetylenic triple bond. In this context, we have explored in a series of several papers the coordination of this ligand family to CuX salts in a self-assembly process to discrete molecular compounds, mono- and bidimensional coordination polymers and three-dimensional MOFs. For example, treatment of CuI with PhSCH₂C≡CCH₂SPh afforded a three-dimensional network incorporating Cu₆(μ₃-I) hexagonal prisms as connection nodes (Knorr et al., 2009; Bai et al., 2018). In contrast, reaction of BzSCH₂C≡CCH₂SBz (Bz = benzyl) with both CuI and CuBr provided simple isostructural dinuclear zero-dimensional complexes [[Cu(μ₂-X)₂Cu](μ-BzSCH₂C≡CCH₂SBz)₂] (X = I, Br). A far more original material resulted from coordination to CuCl, yielding a luminescent 2D material [[Cu₂(μ₂-Cl)(μ₃-Cl)](μ-BzSCH₂C≡CCH₂SBz)]ₙ, in which

<figure><img src="image_3.png" /></figure>

<figure><img src="image_4.png" /></figure>

OPEN ACCESS
<figure><img src="image_5.png" /><figcaption>**Figure 1**
The reaction scheme for the synthesis of 1.</figcaption></figure>

the layers are assembled both by dative Cu–S thioether bonds and organometallic Cu-π–acetylenic interactions via the triple bond of the ligand. Furthermore, the CuI centers are interconnected through µ₂- and µ₃-bound chloro ligands. Treatment of CuI with the isomeric p-TolSCH₂C≡CCH₂STol- p (Tol = C₆H₄-p-Me) ligand led to the formation of a 2D network [{Cu₄(µ₃-I)₄](µ-TolSCH₂C≡CCH₂STol)₂]ₙ with closed cubane-type clusters as SBUs (Secondary Building Units), whilst with CuBr the 1D [{Cu(µ₂-Br)₂Cu}(µ- TolSCH₂C≡CCH₂STol)₂]ₙ coordination polymer was generated (Aly et al., 2014; Bonnot et al., 2015). An alternative approach to combining a metallic scaffold with RSCH₂C≡CCH₂SR-type ligands has been developed by Went and coworkers, who post-functionalized dicobaltatetrahedrane complexes [Co₂(µ-HOCH₂C≡CCH₂OH)(CO)₆] in the presence of HBF₄·OEt₂ and various thiols RSH to obtain [Co₂(µ-RSCH₂C≡CCH₂SR)(CO)₆] and [Co₂(µ- RSCH₂C≡CCH₂SR)(µ-dppm)(CO)₄] [dppm = bis(diphenylphosphino)methane], respectively. Similar treatment of [Mo₂(µ-HOCH₂C≡CCH₂OH)(CO)₄Cp₂] with EtSH yielded [Mo₂(µ-EtSCH₂C≡CCH₂SEt)(CO)₄Cp₂]. These former Co–Co thioether complexes were then employed as metalloligands to coordinate further metal fragments such as [Cu(MeCN)₄]PF₆, AgBF₄ and [Mo(CO)₄(norbornadiene)] (Bennett, et al., 1992; Gelling et al., 1993). Related dicationic salts such as [(Co₂(CO)₆)₂-µ,η²,η²-(Me₂S–CH₂C≡CCH₂S-Me₂)][BF₄]₂ have also been described (Amouri et al., 2000). We and Shaw’s group have demonstrated that upon treatment of the µ-carbonyl complex [(OC)₃Fe(µ-dppm)(µ-CO)Pt( PPh₃)] with ArC≡CH (Ar = Ph, p-Tol, 2,4,5-trimethylphenyl, p-C₆H₄F, 2,4-C₆H₃F₂, p-C₆H₄CF₃), dimetallacyclopentone complexes are formed, stemming from carbon–carbon coupling reactions between CO and the terminal alkyne (Fontaine et al., 1988; Jourdain et al., 2013; Knorr & Jourdain, 2017; Brieger et al., 2019). The first step involves the formation of a kinetic isomer [(OC)₂Fe(µ-dppm){µ-C(=O)C(H) =C(Ar)]Pt(PPh₃)], which then evolves to the thermodynamic one [(OC)₂Fe(µ-dppm){µ-C(=O)C(Ar)=C(H)]Pt(PPh₃)]. We were now intrigued as to whether this route may be extended to internal alkynes RC≡CR, which are in general less reactive than terminal ones. We therefore probed the possibility of coupling [(OC)₃Fe(µ-dppm)(µ-CO)Pt(PPh₃)] with p-TolSCH₂C≡CCH₂STol-p in hot toluene as solvent and succeeded in isolating the targeted dimetallacyclopentone [(OC)₂Fe(µ-dppm)(µ-C(=O)C(4-MeC₆H₄SCH₂)≡CCH₂S-C₆H₄Me-4)Pt(PPh₃)] (1) as a stable crystalline product according to the reaction scheme shown in Fig. 1. With this title compound 1 in hand, we now have the possibility of

coordinating other metal fragments in upcoming studies, for example [Mo(CO)₄(norbornadiene)] or ReBr(CO)₅ in a chelating manner using the two adjacent thioether arms or of constructing coordination networks incorporating complex 1 as an organometallic building block by coordination of CuX or AgI salts on the S-donor sites (see above).

<figure><img src="image_6.png" /></figure>

## 2. Structural commentary

The heterobimetallic compound 1 crystallizes in the monoclinic crystal system, space group P2₁/c. The molecular structure is depicted in Fig. 2 and selected bond lengths and angles are given in Table 1.

The Fe–Pt bond [2.5697 (6) Å] is spanned by a dppm ligand and bridged by the C(=O)C(R)=C(R) (R = 4-MeC₆H₄SCH₂) unit resulting from the carbon–carbon coupling reaction between CO and the alkyne. This value,

<figure><img src="image_7.png" /><figcaption>**Figure 2**
The molecular structure of the title complex 1, with atom labeling. Displacement ellipsoids are drawn at the 30% probability level.</figcaption></figure>
<table><caption>**Table 1**
Selected geometric parameters (Å, °).</caption><tr><td>Pt1-Fe1</td><td>2.5697 (6)</td><td>Fe1-C2</td><td>2.119 (4)</td></tr><tr><td>Pt1-P2</td><td>2.2850 (10)</td><td>Fe1-C3</td><td>1.932 (5)</td></tr><tr><td>Pt1-P3</td><td>2.2714 (12)</td><td>Fe1-C20</td><td>1.777 (5)</td></tr><tr><td>Pt1-C1</td><td>2.045 (4)</td><td>Fe1-C21</td><td>1.789 (5)</td></tr><tr><td>Fe1-P1</td><td>2.1966 (12)</td><td>O3-C3</td><td>1.216 (5)</td></tr><tr><td>Fe1-C1</td><td>2.162 (4)</td><td>C1-C2</td><td>1.407 (6)</td></tr><tr><td>P2-Pt1-Fe1</td><td>97.26 (3)</td><td>C1-Fe1-C2</td><td>38.35 (16)</td></tr><tr><td>P3-Pt1-Fe1</td><td>161.46 (3)</td><td>C20-Fe1-P1</td><td>95.66 (14)</td></tr><tr><td>P3-Pt1-P2</td><td>100.53 (4)</td><td>C21-Fe1-P1</td><td>102.63 (13)</td></tr><tr><td>C1-Pt1-Fe1</td><td>54.44 (12)</td><td>C3-Fe1-P1</td><td>88.88 (13)</td></tr><tr><td>C1-Pt1-P2</td><td>151.36 (12)</td><td>C1-Fe1-P1</td><td>141.85 (12)</td></tr><tr><td>C1-Pt1-P3</td><td>107.33 (12)</td><td>C2-Fe1-P1</td><td>130.91 (13)</td></tr><tr><td>Pt1-C1-Fe1</td><td>75.25 (13)</td><td>C20-Fe1-Pt1</td><td>168.78 (14)</td></tr><tr><td>C20-Fe1-C3</td><td>101.5 (2)</td><td>C21-Fe1-Pt1</td><td>87.76 (14)</td></tr><tr><td>C20-Fe1-C21</td><td>96.5 (2)</td><td>C2-Fe1-Pt1</td><td>73.72 (12)</td></tr><tr><td>C21-Fe1-C3</td><td>157.6 (2)</td><td>C1-Fe1-Pt1</td><td>50.30 (11)</td></tr><tr><td>C20-Fe1-C1</td><td>119.19 (18)</td><td>C3-Fe1-Pt1</td><td>72.18 (13)</td></tr><tr><td>C21-Fe1-C1</td><td>89.16 (18)</td><td>P1-Fe1-Pt1</td><td>93.50 (4)</td></tr><tr><td>C3-Fe1-C1</td><td>70.43 (18)</td><td>C2-C1-Pt1</td><td>109.1 (3)</td></tr><tr><td>C20-Fe1-C2</td><td>95.33 (18)</td><td>C2-C1-Fe1</td><td>69.2 (2)</td></tr></table>

which is less than 2.6 Å, is in the usual range for FePt(dppm)-dimetallacyclopentenone complexes. Note that extreme Fe-Pt distances are reported for the μ-carbene [(OC)₂Fe{μ-C(Et)OSi(OMe)₃}(μ-dppm)Pt(PPh₃)] [d(Fe-Pt) = 2.5062 (9) Å; YOTCIT; Braunstein et al., 1995] and [Fe(η⁵-C₅H₄S)₂Pt(PPh₃)] [d(Fe-Pt = 2.935 (2) Å; FENCUW; Akabori et al., 1987]. Coupling of an internal alkyne does not affect the structural features of the [FeC(=O)C(R)=C(R)Pt] motif significantly with respect to carbon-carbon coupling with a terminal alkyne. The relevant bond lengths and angles are very similar to those of other Fe-Pt structures published by Fontaine et al. (1988) and our group (see above). The presence of a bulky substituent on the C1 atom bound to platinum implies a significant reduction of the P3-Pt-P2 angle [100.53 (4)°] concomitant with an increasing value of the angle P3-Pt-C1 of 107.33 (12)°. In related compounds described previously in the literature, these P3-Pt-P2 angles usually lie in the range 103.93 (8) to 106.63 (3)°, as exemplified by [(OC)₂Fe(μ-dppm){μ-C(=O)C[(CH₂)₃CCH]=C(H)]Pt(PPh₃)] (REDNEU) and [(OC)₂Fe(μ-dppm){μ-C(=O)C(p-C₆H₄CF₃)=C(H)]Pt(PPh₃)] (PIXLAL), and 98.8 (3) to 104.95 (10)° for P3-Pt-C1 in [(OC)₂Fe(μ-dppm){μ-C(=O)C(H)=C(H)]Pt(PPh₃)] (FEYBAM) and [(OC)₂Fe(μ-dppm){μ-C(=O)C(o,p-C₆H₃F₂)=C(H)]Pt(PPh₃)] (PIX-KUE) (Fontaine et al., 1988; Jourdain et al., 2006, 2013). The crystal structure of the dithioether p-TolSCH₂C≡CCH₂STol-p (MULHUZ) was reported by Aly et al. (2014). After complexation and a coupling reaction with a CO ligand, the C1-C2 bond is considerably longer [1.407 (6) vs 1.266 (5) Å] as a result of the conversion to an olefinic moiety, σ-bound to Pt and η²-coordinated to Fe. The alkyne bending angles are disparate [C1-C2-C4 = 126.2 (4), C2-C1-C12 = 119.6 (4)°] as well as the C1-C12 and C2-C4 distances [d(C1-C12) = 1.483 (6), d(C2-C4) = 1.511 (5) Å]. Compared to 1,4-bis(p-tolylthio)but-2-yne, the C-S bonds are also considerably elongated [d(C4-S1 = 1.830 (4), d(C12-S2) = 1.808 (4), d(C5-S1) = 1.782 (5), d(C13-S2) =

<table><caption>**Table 2**
Hydrogen-bond geometry (Å, °).</caption><thead><tr><th>D-H···A</th><th>D-H</th><th>H···A</th><th>D···A</th><th>D-H···A</th></tr></thead><tbody><tr><td>C15-H15···O1<sup>i</sup></td><td>0.93</td><td>2.67</td><td>3.316 (6)</td><td>128</td></tr><tr><td>C34-H34A···O3</td><td>0.97</td><td>2.62</td><td>3.271 (5)</td><td>125</td></tr><tr><td>C39-H39···O3<sup>ii</sup></td><td>0.93</td><td>2.49</td><td>3.239 (6)</td><td>138</td></tr></tbody></table>

Symmetry codes: (i) x, -y + 3/2, z - 1/2; (ii) -x + 1, -y + 1, -z + 1.

1.771 (4) vs 1.685 (2) and 1.714 (2) Å but they fit well with those encountered in the dimetallatetrahedrane [Co₂{μ-C₂(CH₂SMe)₂Mo(CO)₄}(μ-dppm)(CO)₄] [d(C-S = 1.827 (4), 1.833 (4),1.790 (5) and 1.819 (5) Å; JIHMUI10; Gelling et al., 1993].

### 3. Supramolecular features

In the crystal, the individual molecules are linked by weak intermolecular interactions; for example a contact between O3''···H39 [d = 2.49 Å and C3''-O3''···H39 = 138°; symmetry code: (') -x + 1, -y + 1, -z + 1] occurs (Fig. 3, Table 2. A second, yet still weaker intermolecular interaction of 2.67 Å is observed between the O1'···H15 [symmetry code: (') x, -y + 3/2, z - 1/2] atoms of two adjacent molecules. In addition there is an intramolecular contact between O3···H34A (d = 2.62 Å and C3-O3···H34A = 125°). Furthermore, there are also several loose intermolecular C-H···π interactions present; for example a contact between C43-H43 and the midpoint of the C13=C14 double bond [d(H43···midpoint) = 2.73 Å and C-H···midpoint = 157°] of a tolyl ring attached to S2, as well as between C62-H62 and the C23-C24-C25 atoms of a phenyl ring [d(H62···centroid) = 2.64 Å and C-H···centroid = 148°] attached at P1. However, since all hydrogen atoms were not refined freely, a more accurate discussion of the bond lengths and angle is not appropriate.

<figure><img src="image_8.png" /><figcaption>**Figure 3**
A partial view along the *a* axis of the crystal packing of the title compound. The hydrogen bonds (Table 2) are shown as dashed lines.</figcaption></figure>
## 4. Database survey

Other examples of crystallographically characterized dimetallacyclopentenone complexes are Fe₂Cp₂(CO)(μ-CO){μ-CH=C(Ph)C(=O)} (DAHTAJ; Boni et al., 2011), Fe₂Cp*₂(CO)(μ-CO){μ-C(C=CH)=CHC(=O)} (JUZHIV; Akita et al., 1993), Fe₂(CO)₅(μ-dppm){μ-C(=O)CH=CH} (GACWIQ10; Knox et al., 1995), Fe₂(CO)₅(μ-dppm){μ-C(=O)C(Ph)=CH} (PIHMOI; Hitchcock et al., 1993), Fe₂Cp₂(CO)(μ-CO){μ-C(COR)=C(Me)C(=O)} (R = Ph, Bu) (SIZNUK, SIZPAS; Wong et al., 1991), Fe₂{⟨η-C₅H₄⟩₂-SiMe₂}(CO)₂(μ-CO){μ-C(Ph)=C(H)C(=O)} (ZUZGIK; McKee et al., 1994), Ru₂(CO)₄(μ-dppm)₂{μ-C(=O)C(CO₂Me)=C(CO₂Me)} (JITZAN; Johnson & Gladfelter, 1991), Ru₂(CO)₄(μ-dppm)₂{μ-CH=CHC(=O)} (LIFYUU; Mirza et al., 1994), Ru₂(η-C₅HMe₄)₂(CO)(μ-CO){μ-C(=O)C(R)=C(R)} (R = Et, Me) (NEMVOS, NEMVUY; Horiuchi et al., 2012), Rh₂Cp₂(CO)₄{μ-C(CF₃)=C(CF₃)-C(=O)} (TFPNRH; Dickson et al., 1981), Re₂Cp*₂(CO)₂{μ-CH=CC(=CH₂)CH₃}C(=O)} (WEZKIV; Casey et al., 1994). A rare example of a heterodinuclear combination is CpFe{μ-C(=O)C(CMe₂OH)=CH}(μ-CO)Ru(CO)Cp* (FEHGOP; Dennett et al., 2005). We are also aware of OsRu(CO)₈{μ-HC=CHC(=O)} (Kiel et al., 2000), but for the latter compound no structural data are available.

## 5. Synthesis and crystallization

[(OC)₃Fe(μ-CO)(μ-dppm)Pt(PPh₃)] (200 mg, 0.2 mmol) was treated with an excess of 1,4-bis(p-tolylthio)but-2-yne (100 mg, 0.4 mmol) in toluene (5 mL). The solution was stirred at 363 K for 6h. The reaction mixture was filtered, and all volatiles removed under reduced pressure. The brown residue was redissolved in a minimum of toluene. Orange-yellow crystals were isolated by layering with heptane (152 mg, 76% yield).

Calculated for C₆₄H₅₅FeO₃P₃PtS₂ (1279.18 g mol⁻¹): C, 60.05; H, 4.36. Found: C, 59.80; H, 4.21. ¹H NMR: δ 2.21 (s, 3H, CH₃), 2.28 (s, 3H, CH₃), 3.67 (br, 2H, CH₂), 3.97(br, 2H, CH₂), 4.53 (br, 2H, PCH₂P, ²JₚtH = 41), 6.45-7.85 (m, 43H, Ph). ³¹P[¹H] NMR: δ 6.8 (d, P₃dppm Pt, ²JₚP = 57, ² + ³JₚP = 5, ¹JₚtP = 2543), 32.7 (d, P₃PPh₃ Pt, ³JₚP = 32, ² + ³JₚP = 5, ¹JₚtP = 3506), 63.4 (dd, P₃dppm Fe, ²JₚP = 57, ³JₚP = 32, ¹JₚtP = 135). IR(toluene): 1966, 1918s ν(CO), 1696m ν(C=O).

## 6. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 3. All of the hydrogen atoms were placed in geometrically calculated positions and each was assigned a fixed isotropic displacement parameter based on a riding model: C-H = 0.93-0.97 Å with Uiso(H) = 1.5Ueq(C-methyl) and 1.2Ueq(C) for other H atoms.

## Funding information

We are grateful to the Deutsche Forschungsgemeinschaft (DFG) for financial support. LB thanks the Fonds der Chemischen Industrie (FCI) for a doctoral fellowship.

<table><caption>**Table 3**

Experimental details.</caption><tr><td colspan="2">Crystal data</td></tr><tr><td>Chemical formula</td><td>[FePt(C<sub>19</sub>H<sub>18</sub>OS<sub>2</sub>)(C<sub>18</sub>H<sub>15</sub>P)-<br/>(C<sub>25</sub>H<sub>22</sub>P<sub>2</sub>)(CO)<sub>2</sub>]</td></tr><tr><td>M<sub>r</sub></td><td>1280.05</td></tr><tr><td>Crystal system, space group</td><td>Monoclinic, P2<sub>1</sub>/c</td></tr><tr><td>Temperature (K)</td><td>293</td></tr><tr><td>a, b, c (Å)</td><td>12.0071 (6), 36.1737 (15),<br/>13.6980 (6)</td></tr><tr><td>β (°)</td><td>111.970 (5)</td></tr><tr><td>V (Å<sup>3</sup>)</td><td>5517.5 (5)</td></tr><tr><td>Z</td><td>4</td></tr><tr><td>Radiation type</td><td>Mo Kα</td></tr><tr><td>μ (mm<sup>-1</sup>)</td><td>3.01</td></tr><tr><td>Crystal size (mm)</td><td>0.23 × 0.15 × 0.05</td></tr><tr><td colspan="2">Data collection</td></tr><tr><td>Diffractometer</td><td>Agilent Technologies Xcalibur,<br/>Sapphire3</td></tr><tr><td>Absorption correction</td><td>Multi-scan (CrysAlis PRO;<br/>Agilent, 2014)</td></tr><tr><td>T<sub>min</sub>, T<sub>max</sub></td><td>0.837, 1.000</td></tr><tr><td>No. of measured, independent and<br/>observed [I > 2σ(I)] reflections</td><td>47863, 10566, 8245</td></tr><tr><td>R<sub>int</sub></td><td>0.071</td></tr><tr><td>(sin θ/λ)<sub>max</sub> (Å<sup>-1</sup>)</td><td>0.611</td></tr><tr><td colspan="2">Refinement</td></tr><tr><td>R[F<sup>2</sup> > 2σ(F<sup>2</sup>)], wR(F<sup>2</sup>), S</td><td>0.037, 0.076, 1.03</td></tr><tr><td>No. of reflections</td><td>10566</td></tr><tr><td>No. of parameters</td><td>669</td></tr><tr><td>H-atom treatment</td><td>H-atom parameters constrained</td></tr><tr><td>Δρ<sub>max</sub>, Δρ<sub>min</sub> (e Å<sup>-3</sup>)</td><td>1.12, -0.64</td></tr></table>

Computer programs: CrysAlis PRO (Agilent, 2014), SHELXT2014/5 (Sheldrick, 2015a), SHELXL (Sheldrick, 2015b) and OLEX2 (Dolomanov et al., 2009).

## References

Agilent (2014). CrysAlis PRO. Agilent Technologies, Yarnton, England.

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supporting information

*Acta Cryst.* (2020). **E76**, 1087-1091 [https://doi.org/10.1107/S2056989020007859]

Crystal structure of {μ₂-1,2-bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2κ²C³:C¹}dicarbonyl-1κ²C-[μ₂-methylenebis(diphenylphosphane)-1:2κ²P:P'] (triphenylphosphane-2κP)ironplatinum(Fe—Pt), [(OC)₂Fe(μ-dppm){μ-C(&z-dbnd;O)C(4-MeC₆H₄SCH₂)&z-dbnd;CCH₂SC₆H₄Me-4}Pt(PPh₃)]

Ahmed Said Mohamed, Isabelle Jourdain, Michael Knorr, Lukas Brieger and Carsten Strohmann

Computing details

Data collection: *CrysAlis PRO* (Agilent, 2014); cell refinement: *CrysAlis PRO* (Agilent, 2014); data reduction: *CrysAlis PRO* (Agilent, 2014); program(s) used to solve structure: *SHELXT*2014/5 (Sheldrick, 2015a); program(s) used to refine structure: *SHELXL* (Sheldrick, 2015b); molecular graphics: *OLEX2* (Dolomanov *et al.*, 2009); software used to prepare material for publication: *OLEX2* (Dolomanov *et al.*, 2009).

{μ₂-1,2-Bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2C³:C¹}dicarbonyl-1κ²C-[μ₂-methylenebis(diphenylphosphane)-1:2κ²P:P'] (triphenylphosphane-2κP)ironplatinum(Fe—Pt)

Crystal data

[FePt(C₁₉H₁₈OS₂)(C₁₈H₁₅P)(C₂₅H₂₂P₂)(CO)₂]

M_r = 1280.05

Monoclinic, P2₁/c

a = 12.0071 (6) Å

b = 36.1737 (15) Å

c = 13.6980 (6) Å

β = 111.970 (5)°

V = 5517.5 (5) Å³

Z = 4

F(000) = 2576

Dₓ = 1.541 Mg m⁻³

Mo Kα radiation, λ = 0.71073 Å

Cell parameters from 9511 reflections

θ = 2.7–28.7°

μ = 3.01 mm⁻¹

T = 293 K

Plate, yellow

0.23 × 0.15 × 0.05 mm

Data collection

Agilent Technologies Xcalibur, Sapphire3
diffractometer

Radiation source: Enhance (Mo) X-ray Source

Graphite monochromator

Detector resolution: 16.0560 pixels mm⁻¹

ω scans

Absorption correction: multi-scan
(CrysAlisPro; Agilent, 2014)

T_min = 0.837, T_max = 1.000

47863 measured reflections

10566 independent reflections

8245 reflections with *I* > 2σ(*I*)

R int = 0.071

θ max = 25.8°, θ min = 2.2°

h = −11→14

k = −44→41

l = −16→16
Refinement

Refinement on F²
Least-squares matrix: full

$R[F^2 > 2\sigma(F^2)] = 0.037$

$wR(F^2) = 0.076$

$S = 1.03$

10566 reflections

669 parameters

0 restraints

Primary atom site location: dual

Hydrogen site location: inferred from
neighbouring sites

H-atom parameters constrained

$w = 1/[\sigma^2(F_o^2) + (0.0274P)^2 + 0.5475P]$

where $P = (F_o^2 + 2F_c^2)/3$

$(\Delta/\sigma)_{\text{max}} = 0.005$

$\Delta\rho_{\text{max}} = 1.12 \text{ e Å}^{-3}$

$\Delta\rho_{\text{min}} = -0.64 \text{ e Å}^{-3}$

Special details

**Geometry.** All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

**Refinement.** Crystal structure determination of compound 1 was accomplished on an Oxford diffraction Xcalibur S Diffractometer. Suitable crystals of 1 were covered with an inert oil (perfluoropolyalkylether and used for X-ray crystal structure determination. Graphite monochromated Mo-Kα radiation (λ = 0.71073?Å) was used. The processing and finalization of the crystal structure was done with the program Olex2 (Dolomanov, 2009). The crystal structures were solved by intrinsic phasing (SHELXT; Sheldrick, 2015a) and refined against F2 with the full-matrix least-squares method (SHELXL; Sheldrick, 2015b). A multi-scan absorption correction using the CrysAlis RED program (Oxford Diffraction, 2010) was employed. The non-hydrogen atoms were refined anisotropically.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²)

<table><thead><tr><th></th><th>x</th><th>y</th><th>z</th><th>U<sub>iso</sub>*/U<sub>eq</sub></th></tr></thead><tbody><tr><td>Pt1</td><td>0.33424 (2)</td><td>0.62472 (2)</td><td>0.31155 (2)</td><td>0.01386 (6)</td></tr><tr><td>Fe1</td><td>0.52875 (5)</td><td>0.66228 (2)</td><td>0.35654 (4)</td><td>0.01541 (14)</td></tr><tr><td>S1</td><td>0.51458 (12)</td><td>0.61606 (4)</td><td>0.02018 (9)</td><td>0.0335 (3)</td></tr><tr><td>S2</td><td>0.19884 (11)</td><td>0.69548 (4)</td><td>0.12684 (8)</td><td>0.0242 (3)</td></tr><tr><td>P1</td><td>0.60180 (10)</td><td>0.64353 (3)</td><td>0.52099 (8)</td><td>0.0160 (3)</td></tr><tr><td>P2</td><td>0.36370 (10)</td><td>0.60649 (3)</td><td>0.47912 (8)</td><td>0.0136 (2)</td></tr><tr><td>P3</td><td>0.16428 (10)</td><td>0.59290 (3)</td><td>0.21914 (8)</td><td>0.0166 (3)</td></tr><tr><td>O1</td><td>0.3898 (3)</td><td>0.72834 (9)</td><td>0.3663 (2)</td><td>0.0305 (8)</td></tr><tr><td>O2</td><td>0.7452 (3)</td><td>0.70095 (9)</td><td>0.3644 (3)</td><td>0.0331 (8)</td></tr><tr><td>O3</td><td>0.6059 (3)</td><td>0.58365 (9)</td><td>0.3412 (2)</td><td>0.0226 (7)</td></tr><tr><td>C1</td><td>0.3927 (4)</td><td>0.64918 (12)</td><td>0.2048 (3)</td><td>0.0167 (10)</td></tr><tr><td>C2</td><td>0.5040 (4)</td><td>0.63378 (12)</td><td>0.2148 (3)</td><td>0.0184 (10)</td></tr><tr><td>C3</td><td>0.5576 (4)</td><td>0.61346 (14)</td><td>0.3138 (3)</td><td>0.0199 (11)</td></tr><tr><td>C4</td><td>0.5728 (4)</td><td>0.64158 (13)</td><td>0.1445 (3)</td><td>0.0214 (10)</td></tr><tr><td>H4A</td><td>0.656425</td><td>0.635059</td><td>0.181663</td><td>0.026*</td></tr><tr><td>H4B</td><td>0.569106</td><td>0.667854</td><td>0.129478</td><td>0.026*</td></tr><tr><td>C5</td><td>0.5750 (4)</td><td>0.57103 (14)</td><td>0.0594 (3)</td><td>0.0284 (12)</td></tr><tr><td>C6</td><td>0.5322 (5)</td><td>0.54791 (15)</td><td>0.1179 (4)</td><td>0.0356 (13)</td></tr><tr><td>H6</td><td>0.469522</td><td>0.555719</td><td>0.137208</td><td>0.043*</td></tr><tr><td>C7</td><td>0.5815 (5)</td><td>0.51369 (15)</td><td>0.1475 (4)</td><td>0.0413 (15)</td></tr><tr><td>H7</td><td>0.552057</td><td>0.498782</td><td>0.187748</td><td>0.050*</td></tr><tr><td>C8</td><td>0.6741 (5)</td><td>0.50038 (15)</td><td>0.1194 (4)</td><td>0.0398 (14)</td></tr><tr><td>C9</td><td>0.7145 (5)</td><td>0.52324 (16)</td><td>0.0597 (4)</td><td>0.0436 (15)</td></tr><tr><td>H9</td><td>0.775600</td><td>0.514984</td><td>0.038988</td><td>0.052*</td></tr></tbody></table>
<table>
  <tr>
    <td>C10</td>
    <td>0.6673 (5)</td>
    <td>0.55811 (16)</td>
    <td>0.0295 (4)</td>
    <td>0.0364 (14)</td>
  </tr>
  <tr>
    <td>H10</td>
    <td>0.696839</td>
    <td>0.572966</td>
    <td>-0.010742</td>
    <td>0.044*</td>
  </tr>
  <tr>
    <td>C11</td>
    <td>0.7276 (6)</td>
    <td>0.46250 (16)</td>
    <td>0.1544 (5)</td>
    <td>0.065 (2)</td>
  </tr>
  <tr>
    <td>H11A</td>
    <td>0.743383</td>
    <td>0.459346</td>
    <td>0.227930</td>
    <td>0.097*</td>
  </tr>
  <tr>
    <td>H11B</td>
    <td>0.801292</td>
    <td>0.460237</td>
    <td>0.142632</td>
    <td>0.097*</td>
  </tr>
  <tr>
    <td>H11C</td>
    <td>0.672116</td>
    <td>0.443892</td>
    <td>0.114692</td>
    <td>0.097*</td>
  </tr>
  <tr>
    <td>C12</td>
    <td>0.3296 (4)</td>
    <td>0.67416 (13)</td>
    <td>0.1153 (3)</td>
    <td>0.0208 (11)</td>
  </tr>
  <tr>
    <td>H12A</td>
    <td>0.305131</td>
    <td>0.660195</td>
    <td>0.050210</td>
    <td>0.025*</td>
  </tr>
  <tr>
    <td>H12B</td>
    <td>0.384620</td>
    <td>0.693322</td>
    <td>0.112025</td>
    <td>0.025*</td>
  </tr>
  <tr>
    <td>C13</td>
    <td>0.1237 (4)</td>
    <td>0.71380 (13)</td>
    <td>-0.0009 (3)</td>
    <td>0.0213 (11)</td>
  </tr>
  <tr>
    <td>C14</td>
    <td>0.1814 (4)</td>
    <td>0.72895 (13)</td>
    <td>-0.0630 (3)</td>
    <td>0.0256 (11)</td>
  </tr>
  <tr>
    <td>H14</td>
    <td>0.264781</td>
    <td>0.728200</td>
    <td>-0.039538</td>
    <td>0.031*</td>
  </tr>
  <tr>
    <td>C15</td>
    <td>0.1159 (4)</td>
    <td>0.74513 (14)</td>
    <td>-0.1592 (3)</td>
    <td>0.0299 (12)</td>
  </tr>
  <tr>
    <td>H15</td>
    <td>0.156559</td>
    <td>0.755564</td>
    <td>-0.198448</td>
    <td>0.036*</td>
  </tr>
  <tr>
    <td>C16</td>
    <td>-0.0078 (4)</td>
    <td>0.74615 (13)</td>
    <td>-0.1983 (3)</td>
    <td>0.0264 (11)</td>
  </tr>
  <tr>
    <td>C17</td>
    <td>-0.0649 (4)</td>
    <td>0.73051 (14)</td>
    <td>-0.1363 (3)</td>
    <td>0.0286 (12)</td>
  </tr>
  <tr>
    <td>H17</td>
    <td>-0.148331</td>
    <td>0.730799</td>
    <td>-0.160551</td>
    <td>0.034*</td>
  </tr>
  <tr>
    <td>C18</td>
    <td>-0.0010 (4)</td>
    <td>0.71470 (13)</td>
    <td>-0.0406 (3)</td>
    <td>0.0252 (11)</td>
  </tr>
  <tr>
    <td>H18</td>
    <td>-0.041978</td>
    <td>0.704399</td>
    <td>-0.001440</td>
    <td>0.030*</td>
  </tr>
  <tr>
    <td>C19</td>
    <td>-0.0794 (5)</td>
    <td>0.76391 (16)</td>
    <td>-0.3034 (4)</td>
    <td>0.0428 (15)</td>
  </tr>
  <tr>
    <td>H19A</td>
    <td>-0.047412</td>
    <td>0.787999</td>
    <td>-0.306543</td>
    <td>0.064*</td>
  </tr>
  <tr>
    <td>H19B</td>
    <td>-0.161883</td>
    <td>0.766129</td>
    <td>-0.310870</td>
    <td>0.064*</td>
  </tr>
  <tr>
    <td>H19C</td>
    <td>-0.074281</td>
    <td>0.748835</td>
    <td>-0.359219</td>
    <td>0.064*</td>
  </tr>
  <tr>
    <td>C20</td>
    <td>0.6604 (4)</td>
    <td>0.68613 (13)</td>
    <td>0.3621 (3)</td>
    <td>0.0230 (11)</td>
  </tr>
  <tr>
    <td>C21</td>
    <td>0.4445 (4)</td>
    <td>0.70239 (13)</td>
    <td>0.3626 (3)</td>
    <td>0.0199 (10)</td>
  </tr>
  <tr>
    <td>C22</td>
    <td>0.7607 (4)</td>
    <td>0.62972 (13)</td>
    <td>0.5705 (3)</td>
    <td>0.0176 (10)</td>
  </tr>
  <tr>
    <td>C23</td>
    <td>0.8454 (4)</td>
    <td>0.65829 (14)</td>
    <td>0.5896 (3)</td>
    <td>0.0246 (11)</td>
  </tr>
  <tr>
    <td>H23</td>
    <td>0.820210</td>
    <td>0.682797</td>
    <td>0.581983</td>
    <td>0.030*</td>
  </tr>
  <tr>
    <td>C24</td>
    <td>0.9660 (4)</td>
    <td>0.65016 (16)</td>
    <td>0.6197 (3)</td>
    <td>0.0326 (13)</td>
  </tr>
  <tr>
    <td>H24</td>
    <td>1.021532</td>
    <td>0.669251</td>
    <td>0.632344</td>
    <td>0.039*</td>
  </tr>
  <tr>
    <td>C25</td>
    <td>1.0048 (4)</td>
    <td>0.61401 (16)</td>
    <td>0.6313 (3)</td>
    <td>0.0324 (14)</td>
  </tr>
  <tr>
    <td>H25</td>
    <td>1.085863</td>
    <td>0.608652</td>
    <td>0.649885</td>
    <td>0.039*</td>
  </tr>
  <tr>
    <td>C26</td>
    <td>0.9219 (4)</td>
    <td>0.58565 (15)</td>
    <td>0.6149 (3)</td>
    <td>0.0315 (13)</td>
  </tr>
  <tr>
    <td>H26</td>
    <td>0.947659</td>
    <td>0.561191</td>
    <td>0.624560</td>
    <td>0.038*</td>
  </tr>
  <tr>
    <td>C27</td>
    <td>0.8012 (4)</td>
    <td>0.59378 (13)</td>
    <td>0.5841 (3)</td>
    <td>0.0234 (11)</td>
  </tr>
  <tr>
    <td>H27</td>
    <td>0.746189</td>
    <td>0.574587</td>
    <td>0.572385</td>
    <td>0.028*</td>
  </tr>
  <tr>
    <td>C28</td>
    <td>0.6025 (4)</td>
    <td>0.67405 (13)</td>
    <td>0.6288 (3)</td>
    <td>0.0198 (10)</td>
  </tr>
  <tr>
    <td>C29</td>
    <td>0.5891 (5)</td>
    <td>0.71186 (14)</td>
    <td>0.6141 (4)</td>
    <td>0.0324 (13)</td>
  </tr>
  <tr>
    <td>H29</td>
    <td>0.581547</td>
    <td>0.721995</td>
    <td>0.549531</td>
    <td>0.039*</td>
  </tr>
  <tr>
    <td>C30</td>
    <td>0.5869 (5)</td>
    <td>0.73480 (15)</td>
    <td>0.6941 (4)</td>
    <td>0.0423 (15)</td>
  </tr>
  <tr>
    <td>H30</td>
    <td>0.577689</td>
    <td>0.760181</td>
    <td>0.683252</td>
    <td>0.051*</td>
  </tr>
  <tr>
    <td>C31</td>
    <td>0.5983 (5)</td>
    <td>0.71993 (16)</td>
    <td>0.7901 (4)</td>
    <td>0.0358 (13)</td>
  </tr>
  <tr>
    <td>H31</td>
    <td>0.595101</td>
    <td>0.735182</td>
    <td>0.843640</td>
    <td>0.043*</td>
  </tr>
  <tr>
    <td>C32</td>
    <td>0.6144 (5)</td>
    <td>0.68300 (15)</td>
    <td>0.8061 (4)</td>
    <td>0.0344 (13)</td>
  </tr>
  <tr>
    <td>H32</td>
    <td>0.623800</td>
    <td>0.673087</td>
    <td>0.871411</td>
    <td>0.041*</td>
  </tr>
  <tr>
    <td>C33</td>
    <td>0.6168 (4)</td>
    <td>0.65998 (13)</td>
    <td>0.7268 (3)</td>
    <td>0.0250 (11)</td>
  </tr>
  <tr>
    <td>H33</td>
    <td>0.628129</td>
    <td>0.634720</td>
    <td>0.739143</td>
    <td>0.030*</td>
  </tr>
  <tr>
    <td>C34</td>
    <td>0.5268 (4)</td>
    <td>0.60132 (12)</td>
    <td>0.5404 (3)</td>
    <td>0.0150 (10)</td>
  </tr>
</table>
<table>
  <tr>
    <td>H34A</td>
    <td>0.552067</td>
    <td>0.580369</td>
    <td>0.509554</td>
    <td>0.018*</td>
  </tr>
  <tr>
    <td>H34B</td>
    <td>0.549824</td>
    <td>0.596640</td>
    <td>0.615122</td>
    <td>0.018*</td>
  </tr>
  <tr>
    <td>C35</td>
    <td>0.3097 (4)</td>
    <td>0.56202 (12)</td>
    <td>0.5064 (3)</td>
    <td>0.0160 (10)</td>
  </tr>
  <tr>
    <td>C36</td>
    <td>0.1925 (4)</td>
    <td>0.55998 (13)</td>
    <td>0.5041 (3)</td>
    <td>0.0218 (11)</td>
  </tr>
  <tr>
    <td>H36</td>
    <td>0.144301</td>
    <td>0.580982</td>
    <td>0.488889</td>
    <td>0.026*</td>
  </tr>
  <tr>
    <td>C37</td>
    <td>0.1481 (5)</td>
    <td>0.52697 (14)</td>
    <td>0.5244 (3)</td>
    <td>0.0289 (12)</td>
  </tr>
  <tr>
    <td>H37</td>
    <td>0.069837</td>
    <td>0.525755</td>
    <td>0.522178</td>
    <td>0.035*</td>
  </tr>
  <tr>
    <td>C38</td>
    <td>0.2195 (5)</td>
    <td>0.49550 (14)</td>
    <td>0.5482 (4)</td>
    <td>0.0326 (13)</td>
  </tr>
  <tr>
    <td>H38</td>
    <td>0.189317</td>
    <td>0.473274</td>
    <td>0.561975</td>
    <td>0.039*</td>
  </tr>
  <tr>
    <td>C39</td>
    <td>0.3353 (5)</td>
    <td>0.49742 (13)</td>
    <td>0.5512 (3)</td>
    <td>0.0283 (12)</td>
  </tr>
  <tr>
    <td>H39</td>
    <td>0.383817</td>
    <td>0.476506</td>
    <td>0.567991</td>
    <td>0.034*</td>
  </tr>
  <tr>
    <td>C40</td>
    <td>0.3792 (4)</td>
    <td>0.53025 (13)</td>
    <td>0.5296 (3)</td>
    <td>0.0216 (11)</td>
  </tr>
  <tr>
    <td>H40</td>
    <td>0.457018</td>
    <td>0.531125</td>
    <td>0.530449</td>
    <td>0.026*</td>
  </tr>
  <tr>
    <td>C41</td>
    <td>0.3264 (4)</td>
    <td>0.63622 (12)</td>
    <td>0.5696 (3)</td>
    <td>0.0173 (10)</td>
  </tr>
  <tr>
    <td>C42</td>
    <td>0.2880 (4)</td>
    <td>0.67210 (13)</td>
    <td>0.5430 (3)</td>
    <td>0.0237 (11)</td>
  </tr>
  <tr>
    <td>H42</td>
    <td>0.276531</td>
    <td>0.680940</td>
    <td>0.476120</td>
    <td>0.028*</td>
  </tr>
  <tr>
    <td>C43</td>
    <td>0.2662 (5)</td>
    <td>0.69537 (14)</td>
    <td>0.6159 (4)</td>
    <td>0.0348 (13)</td>
  </tr>
  <tr>
    <td>H43</td>
    <td>0.240436</td>
    <td>0.719544</td>
    <td>0.597655</td>
    <td>0.042*</td>
  </tr>
  <tr>
    <td>C44</td>
    <td>0.2831 (4)</td>
    <td>0.68214 (15)</td>
    <td>0.7138 (4)</td>
    <td>0.0334 (13)</td>
  </tr>
  <tr>
    <td>H44</td>
    <td>0.269937</td>
    <td>0.697685</td>
    <td>0.762477</td>
    <td>0.040*</td>
  </tr>
  <tr>
    <td>C45</td>
    <td>0.3193 (4)</td>
    <td>0.64629 (15)</td>
    <td>0.7419 (3)</td>
    <td>0.0295 (12)</td>
  </tr>
  <tr>
    <td>H45</td>
    <td>0.328276</td>
    <td>0.637497</td>
    <td>0.808180</td>
    <td>0.035*</td>
  </tr>
  <tr>
    <td>C46</td>
    <td>0.3421 (4)</td>
    <td>0.62350 (13)</td>
    <td>0.6706 (3)</td>
    <td>0.0203 (10)</td>
  </tr>
  <tr>
    <td>H46</td>
    <td>0.368134</td>
    <td>0.599408</td>
    <td>0.689833</td>
    <td>0.024*</td>
  </tr>
  <tr>
    <td>C47</td>
    <td>0.1854 (4)</td>
    <td>0.54327 (12)</td>
    <td>0.2099 (3)</td>
    <td>0.0190 (10)</td>
  </tr>
  <tr>
    <td>C48</td>
    <td>0.0931 (4)</td>
    <td>0.52009 (13)</td>
    <td>0.1484 (3)</td>
    <td>0.0258 (11)</td>
  </tr>
  <tr>
    <td>H48</td>
    <td>0.018084</td>
    <td>0.530064</td>
    <td>0.109826</td>
    <td>0.031*</td>
  </tr>
  <tr>
    <td>C49</td>
    <td>0.1112 (5)</td>
    <td>0.48275 (14)</td>
    <td>0.1440 (4)</td>
    <td>0.0328 (13)</td>
  </tr>
  <tr>
    <td>H49</td>
    <td>0.047654</td>
    <td>0.467587</td>
    <td>0.104805</td>
    <td>0.039*</td>
  </tr>
  <tr>
    <td>C50</td>
    <td>0.2232 (5)</td>
    <td>0.46751 (15)</td>
    <td>0.1974 (4)</td>
    <td>0.0367 (14)</td>
  </tr>
  <tr>
    <td>H50</td>
    <td>0.234927</td>
    <td>0.442181</td>
    <td>0.194608</td>
    <td>0.044*</td>
  </tr>
  <tr>
    <td>C51</td>
    <td>0.3172 (5)</td>
    <td>0.49003 (15)</td>
    <td>0.2546 (4)</td>
    <td>0.0359 (13)</td>
  </tr>
  <tr>
    <td>H51</td>
    <td>0.393402</td>
    <td>0.480116</td>
    <td>0.288828</td>
    <td>0.043*</td>
  </tr>
  <tr>
    <td>C52</td>
    <td>0.2979 (4)</td>
    <td>0.52767 (13)</td>
    <td>0.2611 (3)</td>
    <td>0.0227 (11)</td>
  </tr>
  <tr>
    <td>H52</td>
    <td>0.361714</td>
    <td>0.542713</td>
    <td>0.300490</td>
    <td>0.027*</td>
  </tr>
  <tr>
    <td>C53</td>
    <td>0.0484 (4)</td>
    <td>0.60009 (13)</td>
    <td>0.2734 (3)</td>
    <td>0.0186 (10)</td>
  </tr>
  <tr>
    <td>C54</td>
    <td>0.0450 (4)</td>
    <td>0.63486 (13)</td>
    <td>0.3149 (3)</td>
    <td>0.0231 (11)</td>
  </tr>
  <tr>
    <td>H54</td>
    <td>0.102310</td>
    <td>0.652383</td>
    <td>0.316344</td>
    <td>0.028*</td>
  </tr>
  <tr>
    <td>C55</td>
    <td>-0.0423 (4)</td>
    <td>0.64388 (14)</td>
    <td>0.3541 (3)</td>
    <td>0.0281 (12)</td>
  </tr>
  <tr>
    <td>H55</td>
    <td>-0.043485</td>
    <td>0.667238</td>
    <td>0.382068</td>
    <td>0.034*</td>
  </tr>
  <tr>
    <td>C56</td>
    <td>-0.1277 (4)</td>
    <td>0.61781 (14)</td>
    <td>0.3515 (3)</td>
    <td>0.0294 (12)</td>
  </tr>
  <tr>
    <td>H56</td>
    <td>-0.185895</td>
    <td>0.623613</td>
    <td>0.378580</td>
    <td>0.035*</td>
  </tr>
  <tr>
    <td>C57</td>
    <td>-0.1272 (4)</td>
    <td>0.58350 (14)</td>
    <td>0.3091 (3)</td>
    <td>0.0256 (12)</td>
  </tr>
  <tr>
    <td>H57</td>
    <td>-0.186297</td>
    <td>0.566375</td>
    <td>0.305649</td>
    <td>0.031*</td>
  </tr>
  <tr>
    <td>C58</td>
    <td>-0.0381 (4)</td>
    <td>0.57431 (14)</td>
    <td>0.2713 (3)</td>
    <td>0.0235 (11)</td>
  </tr>
  <tr>
    <td>H58</td>
    <td>-0.036596</td>
    <td>0.550782</td>
    <td>0.244489</td>
    <td>0.028*</td>
  </tr>
  <tr>
    <td>C59</td>
    <td>0.0822 (4)</td>
    <td>0.60429 (12)</td>
    <td>0.0805 (3)</td>
    <td>0.0188 (10)</td>
  </tr>
  <tr>
    <td>C60</td>
    <td>-0.0369 (4)</td>
    <td>0.61515 (12)</td>
    <td>0.0426 (3)</td>
    <td>0.0223 (11)</td>
  </tr>
</table>
<table><tr><td>H60</td><td>-0.077921</td><td>0.616660</td><td>0.088156</td><td>0.027*</td></tr><tr><td>C61</td><td>-0.0950 (4)</td><td>0.62378 (14)</td><td>-0.0626 (3)</td><td>0.0298 (12)</td></tr><tr><td>H61</td><td>-0.175186</td><td>0.630961</td><td>-0.087322</td><td>0.036*</td></tr><tr><td>C62</td><td>-0.0358 (5)</td><td>0.62189 (14)</td><td>-0.1314 (3)</td><td>0.0312 (12)</td></tr><tr><td>H62</td><td>-0.074977</td><td>0.628004</td><td>-0.201958</td><td>0.037*</td></tr><tr><td>C63</td><td>0.0821 (5)</td><td>0.61082 (14)</td><td>-0.0938 (3)</td><td>0.0299 (12)</td></tr><tr><td>H63</td><td>0.122595</td><td>0.609225</td><td>-0.139794</td><td>0.036*</td></tr><tr><td>C64</td><td>0.1415 (4)</td><td>0.60201 (13)</td><td>0.0108 (3)</td><td>0.0244 (11)</td></tr><tr><td>H64</td><td>0.221358</td><td>0.594538</td><td>0.034901</td><td>0.029*</td></tr></table>

Atomic displacement parameters (Å²)

<table><thead><tr><th></th><th>U<sup>11</sup></th><th>U<sup>22</sup></th><th>U<sup>33</sup></th><th>U<sup>12</sup></th><th>U<sup>13</sup></th><th>U<sup>23</sup></th></tr></thead><tbody><tr><td>Pt1</td><td>0.01128 (9)</td><td>0.01589 (10)</td><td>0.01397 (8)</td><td>-0.00082 (8)</td><td>0.00420 (7)</td><td>0.00141 (7)</td></tr><tr><td>Fe1</td><td>0.0129 (3)</td><td>0.0159 (4)</td><td>0.0171 (3)</td><td>-0.0014 (3)</td><td>0.0053 (3)</td><td>0.0025 (3)</td></tr><tr><td>S1</td><td>0.0380 (8)</td><td>0.0434 (9)</td><td>0.0191 (6)</td><td>0.0099 (7)</td><td>0.0109 (6)</td><td>0.0031 (6)</td></tr><tr><td>S2</td><td>0.0228 (7)</td><td>0.0292 (7)</td><td>0.0210 (6)</td><td>0.0072 (6)</td><td>0.0087 (5)</td><td>0.0055 (5)</td></tr><tr><td>P1</td><td>0.0125 (6)</td><td>0.0177 (7)</td><td>0.0162 (5)</td><td>-0.0015 (5)</td><td>0.0035 (5)</td><td>0.0004 (5)</td></tr><tr><td>P2</td><td>0.0119 (6)</td><td>0.0134 (6)</td><td>0.0149 (5)</td><td>0.0001 (5)</td><td>0.0043 (5)</td><td>0.0015 (5)</td></tr><tr><td>P3</td><td>0.0129 (6)</td><td>0.0200 (7)</td><td>0.0159 (5)</td><td>-0.0013 (5)</td><td>0.0043 (5)</td><td>-0.0010 (5)</td></tr><tr><td>O1</td><td>0.026 (2)</td><td>0.026 (2)</td><td>0.038 (2)</td><td>0.0081 (17)</td><td>0.0105 (17)</td><td>-0.0009 (16)</td></tr><tr><td>O2</td><td>0.017 (2)</td><td>0.032 (2)</td><td>0.051 (2)</td><td>-0.0051 (17)</td><td>0.0128 (17)</td><td>0.0101 (17)</td></tr><tr><td>O3</td><td>0.0226 (19)</td><td>0.0190 (19)</td><td>0.0261 (17)</td><td>0.0048 (15)</td><td>0.0091 (15)</td><td>0.0030 (14)</td></tr><tr><td>C1</td><td>0.018 (3)</td><td>0.015 (3)</td><td>0.016 (2)</td><td>-0.004 (2)</td><td>0.0038 (19)</td><td>0.0017 (18)</td></tr><tr><td>C2</td><td>0.021 (3)</td><td>0.017 (3)</td><td>0.018 (2)</td><td>-0.003 (2)</td><td>0.009 (2)</td><td>-0.0023 (19)</td></tr><tr><td>C3</td><td>0.012 (2)</td><td>0.027 (3)</td><td>0.022 (2)</td><td>-0.003 (2)</td><td>0.008 (2)</td><td>-0.003 (2)</td></tr><tr><td>C4</td><td>0.023 (3)</td><td>0.019 (3)</td><td>0.022 (2)</td><td>-0.001 (2)</td><td>0.008 (2)</td><td>0.000 (2)</td></tr><tr><td>C5</td><td>0.028 (3)</td><td>0.036 (3)</td><td>0.018 (2)</td><td>-0.001 (2)</td><td>0.006 (2)</td><td>-0.009 (2)</td></tr><tr><td>C6</td><td>0.036 (3)</td><td>0.046 (4)</td><td>0.029 (3)</td><td>-0.002 (3)</td><td>0.016 (3)</td><td>-0.005 (3)</td></tr><tr><td>C7</td><td>0.063 (4)</td><td>0.029 (3)</td><td>0.030 (3)</td><td>-0.006 (3)</td><td>0.016 (3)</td><td>-0.002 (2)</td></tr><tr><td>C8</td><td>0.045 (4)</td><td>0.032 (4)</td><td>0.032 (3)</td><td>0.002 (3)</td><td>0.002 (3)</td><td>-0.010 (3)</td></tr><tr><td>C9</td><td>0.036 (4)</td><td>0.045 (4)</td><td>0.050 (3)</td><td>0.006 (3)</td><td>0.016 (3)</td><td>-0.013 (3)</td></tr><tr><td>C10</td><td>0.034 (3)</td><td>0.044 (4)</td><td>0.034 (3)</td><td>-0.007 (3)</td><td>0.017 (3)</td><td>-0.009 (3)</td></tr><tr><td>C11</td><td>0.082 (5)</td><td>0.040 (4)</td><td>0.062 (4)</td><td>0.020 (4)</td><td>0.015 (4)</td><td>-0.003 (3)</td></tr><tr><td>C12</td><td>0.014 (3)</td><td>0.026 (3)</td><td>0.023 (2)</td><td>-0.002 (2)</td><td>0.008 (2)</td><td>0.003 (2)</td></tr><tr><td>C13</td><td>0.019 (3)</td><td>0.024 (3)</td><td>0.019 (2)</td><td>0.001 (2)</td><td>0.004 (2)</td><td>0.002 (2)</td></tr><tr><td>C14</td><td>0.016 (3)</td><td>0.036 (3)</td><td>0.023 (2)</td><td>0.004 (2)</td><td>0.005 (2)</td><td>0.007 (2)</td></tr><tr><td>C15</td><td>0.026 (3)</td><td>0.042 (3)</td><td>0.023 (3)</td><td>0.001 (3)</td><td>0.011 (2)</td><td>0.005 (2)</td></tr><tr><td>C16</td><td>0.026 (3)</td><td>0.027 (3)</td><td>0.025 (3)</td><td>0.002 (2)</td><td>0.007 (2)</td><td>0.000 (2)</td></tr><tr><td>C17</td><td>0.015 (3)</td><td>0.033 (3)</td><td>0.032 (3)</td><td>0.003 (2)</td><td>0.004 (2)</td><td>0.001 (2)</td></tr><tr><td>C18</td><td>0.019 (3)</td><td>0.031 (3)</td><td>0.026 (3)</td><td>0.002 (2)</td><td>0.010 (2)</td><td>0.004 (2)</td></tr><tr><td>C19</td><td>0.035 (3)</td><td>0.054 (4)</td><td>0.034 (3)</td><td>0.004 (3)</td><td>0.006 (3)</td><td>0.011 (3)</td></tr><tr><td>C20</td><td>0.020 (3)</td><td>0.022 (3)</td><td>0.026 (2)</td><td>0.005 (2)</td><td>0.007 (2)</td><td>0.004 (2)</td></tr><tr><td>C21</td><td>0.016 (3)</td><td>0.021 (3)</td><td>0.021 (2)</td><td>-0.003 (2)</td><td>0.006 (2)</td><td>0.003 (2)</td></tr><tr><td>C22</td><td>0.009 (2)</td><td>0.027 (3)</td><td>0.015 (2)</td><td>0.002 (2)</td><td>0.0027 (18)</td><td>0.0000 (19)</td></tr><tr><td>C23</td><td>0.020 (3)</td><td>0.033 (3)</td><td>0.020 (2)</td><td>-0.001 (2)</td><td>0.006 (2)</td><td>0.000 (2)</td></tr><tr><td>C24</td><td>0.017 (3)</td><td>0.056 (4)</td><td>0.022 (3)</td><td>-0.014 (3)</td><td>0.006 (2)</td><td>-0.002 (3)</td></tr><tr><td>C25</td><td>0.010 (3)</td><td>0.066 (4)</td><td>0.021 (2)</td><td>0.002 (3)</td><td>0.005 (2)</td><td>-0.006 (3)</td></tr></tbody></table>
<table><tbody><tr><td>C26</td><td>0.020 (3)</td><td>0.040 (3)</td><td>0.030 (3)</td><td>0.011 (3)</td><td>0.005 (2)</td><td>-0.011 (2)</td></tr><tr><td>C27</td><td>0.021 (3)</td><td>0.028 (3)</td><td>0.019 (2)</td><td>0.005 (2)</td><td>0.005 (2)</td><td>-0.003 (2)</td></tr><tr><td>C28</td><td>0.013 (2)</td><td>0.019 (3)</td><td>0.023 (2)</td><td>0.000 (2)</td><td>0.002 (2)</td><td>-0.004 (2)</td></tr><tr><td>C29</td><td>0.035 (3)</td><td>0.024 (3)</td><td>0.026 (3)</td><td>-0.001 (2)</td><td>-0.003 (2)</td><td>-0.006 (2)</td></tr><tr><td>C30</td><td>0.041 (4)</td><td>0.025 (3)</td><td>0.046 (3)</td><td>0.006 (3)</td><td>0.001 (3)</td><td>-0.011 (3)</td></tr><tr><td>C31</td><td>0.027 (3)</td><td>0.042 (4)</td><td>0.038 (3)</td><td>0.000 (3)</td><td>0.012 (2)</td><td>-0.021 (3)</td></tr><tr><td>C32</td><td>0.032 (3)</td><td>0.043 (4)</td><td>0.031 (3)</td><td>-0.011 (3)</td><td>0.016 (2)</td><td>-0.010 (3)</td></tr><tr><td>C33</td><td>0.030 (3)</td><td>0.018 (3)</td><td>0.028 (3)</td><td>-0.001 (2)</td><td>0.011 (2)</td><td>-0.003 (2)</td></tr><tr><td>C34</td><td>0.015 (2)</td><td>0.016 (3)</td><td>0.012 (2)</td><td>0.002 (2)</td><td>0.0037 (18)</td><td>0.0012 (18)</td></tr><tr><td>C35</td><td>0.019 (3)</td><td>0.017 (3)</td><td>0.010 (2)</td><td>-0.002 (2)</td><td>0.0045 (19)</td><td>0.0010 (18)</td></tr><tr><td>C36</td><td>0.021 (3)</td><td>0.021 (3)</td><td>0.020 (2)</td><td>-0.002 (2)</td><td>0.004 (2)</td><td>0.000 (2)</td></tr><tr><td>C37</td><td>0.028 (3)</td><td>0.032 (3)</td><td>0.029 (3)</td><td>-0.013 (3)</td><td>0.013 (2)</td><td>-0.006 (2)</td></tr><tr><td>C38</td><td>0.048 (4)</td><td>0.019 (3)</td><td>0.034 (3)</td><td>-0.017 (3)</td><td>0.018 (3)</td><td>-0.001 (2)</td></tr><tr><td>C39</td><td>0.038 (3)</td><td>0.016 (3)</td><td>0.029 (3)</td><td>0.005 (2)</td><td>0.010 (2)</td><td>0.000 (2)</td></tr><tr><td>C40</td><td>0.021 (3)</td><td>0.022 (3)</td><td>0.022 (2)</td><td>0.000 (2)</td><td>0.008 (2)</td><td>0.003 (2)</td></tr><tr><td>C41</td><td>0.011 (2)</td><td>0.018 (3)</td><td>0.023 (2)</td><td>-0.005 (2)</td><td>0.0069 (19)</td><td>-0.0025 (19)</td></tr><tr><td>C42</td><td>0.027 (3)</td><td>0.021 (3)</td><td>0.027 (2)</td><td>0.000 (2)</td><td>0.015 (2)</td><td>-0.001 (2)</td></tr><tr><td>C43</td><td>0.039 (3)</td><td>0.020 (3)</td><td>0.052 (3)</td><td>0.003 (3)</td><td>0.025 (3)</td><td>-0.006 (3)</td></tr><tr><td>C44</td><td>0.026 (3)</td><td>0.044 (4)</td><td>0.036 (3)</td><td>-0.009 (3)</td><td>0.017 (2)</td><td>-0.022 (3)</td></tr><tr><td>C45</td><td>0.025 (3)</td><td>0.044 (4)</td><td>0.021 (2)</td><td>-0.003 (3)</td><td>0.010 (2)</td><td>-0.004 (2)</td></tr><tr><td>C46</td><td>0.015 (2)</td><td>0.022 (3)</td><td>0.023 (2)</td><td>-0.004 (2)</td><td>0.0062 (19)</td><td>-0.001 (2)</td></tr><tr><td>C47</td><td>0.022 (3)</td><td>0.019 (3)</td><td>0.019 (2)</td><td>0.000 (2)</td><td>0.010 (2)</td><td>0.0020 (19)</td></tr><tr><td>C48</td><td>0.021 (3)</td><td>0.027 (3)</td><td>0.027 (3)</td><td>-0.004 (2)</td><td>0.006 (2)</td><td>-0.004 (2)</td></tr><tr><td>C49</td><td>0.037 (3)</td><td>0.027 (3)</td><td>0.030 (3)</td><td>-0.012 (3)</td><td>0.008 (3)</td><td>-0.007 (2)</td></tr><tr><td>C50</td><td>0.057 (4)</td><td>0.021 (3)</td><td>0.031 (3)</td><td>0.001 (3)</td><td>0.016 (3)</td><td>0.000 (2)</td></tr><tr><td>C51</td><td>0.035 (3)</td><td>0.033 (3)</td><td>0.035 (3)</td><td>0.008 (3)</td><td>0.008 (3)</td><td>0.004 (3)</td></tr><tr><td>C52</td><td>0.026 (3)</td><td>0.017 (3)</td><td>0.022 (2)</td><td>-0.004 (2)</td><td>0.005 (2)</td><td>-0.005 (2)</td></tr><tr><td>C53</td><td>0.013 (3)</td><td>0.027 (3)</td><td>0.014 (2)</td><td>-0.002 (2)</td><td>0.0023 (19)</td><td>0.0020 (19)</td></tr><tr><td>C54</td><td>0.016 (3)</td><td>0.028 (3)</td><td>0.023 (2)</td><td>0.001 (2)</td><td>0.005 (2)</td><td>0.003 (2)</td></tr><tr><td>C55</td><td>0.026 (3)</td><td>0.032 (3)</td><td>0.029 (3)</td><td>0.009 (3)</td><td>0.014 (2)</td><td>0.001 (2)</td></tr><tr><td>C56</td><td>0.020 (3)</td><td>0.046 (4)</td><td>0.025 (2)</td><td>0.006 (3)</td><td>0.011 (2)</td><td>0.005 (2)</td></tr><tr><td>C57</td><td>0.014 (3)</td><td>0.036 (3)</td><td>0.025 (2)</td><td>0.000 (2)</td><td>0.006 (2)</td><td>0.010 (2)</td></tr><tr><td>C58</td><td>0.017 (3)</td><td>0.033 (3)</td><td>0.020 (2)</td><td>-0.004 (2)</td><td>0.005 (2)</td><td>0.002 (2)</td></tr><tr><td>C59</td><td>0.016 (3)</td><td>0.019 (3)</td><td>0.018 (2)</td><td>-0.003 (2)</td><td>0.0011 (19)</td><td>-0.0021 (19)</td></tr><tr><td>C60</td><td>0.018 (3)</td><td>0.027 (3)</td><td>0.022 (2)</td><td>0.006 (2)</td><td>0.008 (2)</td><td>0.007 (2)</td></tr><tr><td>C61</td><td>0.020 (3)</td><td>0.036 (3)</td><td>0.024 (2)</td><td>0.007 (2)</td><td>-0.002 (2)</td><td>-0.001 (2)</td></tr><tr><td>C62</td><td>0.034 (3)</td><td>0.037 (3)</td><td>0.015 (2)</td><td>0.001 (3)</td><td>0.001 (2)</td><td>0.001 (2)</td></tr><tr><td>C63</td><td>0.036 (3)</td><td>0.040 (3)</td><td>0.017 (2)</td><td>0.001 (3)</td><td>0.014 (2)</td><td>-0.001 (2)</td></tr><tr><td>C64</td><td>0.016 (3)</td><td>0.034 (3)</td><td>0.022 (2)</td><td>0.001 (2)</td><td>0.005 (2)</td><td>-0.002 (2)</td></tr></tbody></table>

Geometric parameters (Å, °)

<table><tr><td>Pt1—Fe1</td><td>2.5697 (6)</td><td>C26—C27</td><td>1.382 (6)</td></tr><tr><td>Pt1—P2</td><td>2.2850 (10)</td><td>C27—H27</td><td>0.9300</td></tr><tr><td>Pt1—P3</td><td>2.2714 (12)</td><td>C28—C29</td><td>1.383 (6)</td></tr><tr><td>Pt1—C1</td><td>2.045 (4)</td><td>C28—C33</td><td>1.385 (6)</td></tr><tr><td>Fe1—P1</td><td>2.1966 (12)</td><td>C29—H29</td><td>0.9300</td></tr><tr><td>Fe1—C1</td><td>2.162 (4)</td><td>C29—C30</td><td>1.383 (6)</td></tr></table>
<table>
  <tr>
    <td>Fe1—C2</td>
    <td>2.119 (4)</td>
    <td>C30—H30</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>Fe1—C3</td>
    <td>1.932 (5)</td>
    <td>C30—C31</td>
    <td>1.379 (7)</td>
  </tr>
  <tr>
    <td>Fe1—C20</td>
    <td>1.777 (5)</td>
    <td>C31—H31</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>Fe1—C21</td>
    <td>1.789 (5)</td>
    <td>C31—C32</td>
    <td>1.356 (7)</td>
  </tr>
  <tr>
    <td>S1—C4</td>
    <td>1.830 (4)</td>
    <td>C32—H32</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>S1—C5</td>
    <td>1.782 (5)</td>
    <td>C32—C33</td>
    <td>1.378 (6)</td>
  </tr>
  <tr>
    <td>S2—C12</td>
    <td>1.808 (4)</td>
    <td>C33—H33</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>S2—C13</td>
    <td>1.771 (4)</td>
    <td>C34—H34A</td>
    <td>0.9700</td>
  </tr>
  <tr>
    <td>P1—C22</td>
    <td>1.839 (4)</td>
    <td>C34—H34B</td>
    <td>0.9700</td>
  </tr>
  <tr>
    <td>P1—C28</td>
    <td>1.841 (4)</td>
    <td>C35—C36</td>
    <td>1.399 (6)</td>
  </tr>
  <tr>
    <td>P1—C34</td>
    <td>1.842 (4)</td>
    <td>C35—C40</td>
    <td>1.385 (6)</td>
  </tr>
  <tr>
    <td>P2—C34</td>
    <td>1.829 (4)</td>
    <td>C36—H36</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>P2—C35</td>
    <td>1.824 (4)</td>
    <td>C36—C37</td>
    <td>1.378 (6)</td>
  </tr>
  <tr>
    <td>P2—C41</td>
    <td>1.819 (4)</td>
    <td>C37—H37</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>P3—C47</td>
    <td>1.824 (5)</td>
    <td>C37—C38</td>
    <td>1.388 (7)</td>
  </tr>
  <tr>
    <td>P3—C53</td>
    <td>1.824 (4)</td>
    <td>C38—H38</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>P3—C59</td>
    <td>1.830 (4)</td>
    <td>C38—C39</td>
    <td>1.376 (7)</td>
  </tr>
  <tr>
    <td>O1—C21</td>
    <td>1.157 (5)</td>
    <td>C39—H39</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>O2—C20</td>
    <td>1.141 (5)</td>
    <td>C39—C40</td>
    <td>1.377 (6)</td>
  </tr>
  <tr>
    <td>O3—C3</td>
    <td>1.216 (5)</td>
    <td>C40—H40</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>C1—C2</td>
    <td>1.407 (6)</td>
    <td>C41—C42</td>
    <td>1.380 (6)</td>
  </tr>
  <tr>
    <td>C1—C12</td>
    <td>1.483 (6)</td>
    <td>C41—C46</td>
    <td>1.402 (6)</td>
  </tr>
  <tr>
    <td>C2—C3</td>
    <td>1.464 (6)</td>
    <td>C42—H42</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>C2—C4</td>
    <td>1.511 (5)</td>
    <td>C42—C43</td>
    <td>1.404 (6)</td>
  </tr>
  <tr>
    <td>C4—H4A</td>
    <td>0.9700</td>
    <td>C43—H43</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>C4—H4B</td>
    <td>0.9700</td>
    <td>C43—C44</td>
    <td>1.366 (6)</td>
  </tr>
  <tr>
    <td>C5—C6</td>
    <td>1.384 (6)</td>
    <td>C44—H44</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>C5—C10</td>
    <td>1.397 (6)</td>
    <td>C44—C45</td>
    <td>1.376 (7)</td>
  </tr>
  <tr>
    <td>C6—H6</td>
    <td>0.9300</td>
    <td>C45—H45</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>C6—C7</td>
    <td>1.367 (7)</td>
    <td>C45—C46</td>
    <td>1.381 (6)</td>
  </tr>
  <tr>
    <td>C7—H7</td>
    <td>0.9300</td>
    <td>C46—H46</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>C7—C8</td>
    <td>1.392 (7)</td>
    <td>C47—C48</td>
    <td>1.394 (6)</td>
  </tr>
  <tr>
    <td>C8—C9</td>
    <td>1.373 (7)</td>
    <td>C47—C52</td>
    <td>1.388 (6)</td>
  </tr>
  <tr>
    <td>C8—C11</td>
    <td>1.513 (7)</td>
    <td>C48—H48</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>C9—H9</td>
    <td>0.9300</td>
    <td>C48—C49</td>
    <td>1.373 (7)</td>
  </tr>
  <tr>
    <td>C9—C10</td>
    <td>1.381 (7)</td>
    <td>C49—H49</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>C10—H10</td>
    <td>0.9300</td>
    <td>C49—C50</td>
    <td>1.382 (7)</td>
  </tr>
  <tr>
    <td>C11—H11A</td>
    <td>0.9600</td>
    <td>C50—H50</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>C11—H11B</td>
    <td>0.9600</td>
    <td>C50—C51</td>
    <td>1.374 (7)</td>
  </tr>
  <tr>
    <td>C11—H11C</td>
    <td>0.9600</td>
    <td>C51—H51</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>C12—H12A</td>
    <td>0.9700</td>
    <td>C51—C52</td>
    <td>1.389 (6)</td>
  </tr>
  <tr>
    <td>C12—H12B</td>
    <td>0.9700</td>
    <td>C52—H52</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>C13—C14</td>
    <td>1.394 (6)</td>
    <td>C53—C54</td>
    <td>1.387 (6)</td>
  </tr>
  <tr>
    <td>C13—C18</td>
    <td>1.390 (6)</td>
    <td>C53—C58</td>
    <td>1.389 (6)</td>
  </tr>
  <tr>
    <td>C14—H14</td>
    <td>0.9300</td>
    <td>C54—H54</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>C14—C15</td>
    <td>1.387 (6)</td>
    <td>C54—C55</td>
    <td>1.384 (6)</td>
  </tr>
  <tr>
    <td>C15—H15</td>
    <td>0.9300</td>
    <td>C55—H55</td>
    <td>0.9300</td>
  </tr>
  <tr>
    <td>C15—C16</td>
    <td>1.378 (6)</td>
    <td>C55—C56</td>
    <td>1.383 (7)</td>
  </tr>
</table>
<table><tbody><tr><td>C16—C17</td><td>1.395 (6)</td><td>C56—H56</td><td>0.9300</td></tr><tr><td>C16—C19</td><td>1.516 (6)</td><td>C56—C57</td><td>1.371 (7)</td></tr><tr><td>C17—H17</td><td>0.9300</td><td>C57—H57</td><td>0.9300</td></tr><tr><td>C17—C18</td><td>1.373 (6)</td><td>C57—C58</td><td>1.391 (6)</td></tr><tr><td>C18—H18</td><td>0.9300</td><td>C58—H58</td><td>0.9300</td></tr><tr><td>C19—H19A</td><td>0.9600</td><td>C59—C60</td><td>1.383 (6)</td></tr><tr><td>C19—H19B</td><td>0.9600</td><td>C59—C64</td><td>1.390 (6)</td></tr><tr><td>C19—H19C</td><td>0.9600</td><td>C60—H60</td><td>0.9300</td></tr><tr><td>C22—C23</td><td>1.404 (6)</td><td>C60—C61</td><td>1.382 (6)</td></tr><tr><td>C22—C27</td><td>1.376 (6)</td><td>C61—H61</td><td>0.9300</td></tr><tr><td>C23—H23</td><td>0.9300</td><td>C61—C62</td><td>1.378 (6)</td></tr><tr><td>C23—C24</td><td>1.381 (6)</td><td>C62—H62</td><td>0.9300</td></tr><tr><td>C24—H24</td><td>0.9300</td><td>C62—C63</td><td>1.372 (7)</td></tr><tr><td>C24—C25</td><td>1.377 (7)</td><td>C63—H63</td><td>0.9300</td></tr><tr><td>C25—H25</td><td>0.9300</td><td>C63—C64</td><td>1.379 (6)</td></tr><tr><td>C25—C26</td><td>1.388 (7)</td><td>C64—H64</td><td>0.9300</td></tr><tr><td>C26—H26</td><td>0.9300</td><td></td><td></td></tr></tbody></table>

<table><tbody><tr><td>P2—Pt1—Fe1</td><td>97.26 (3)</td><td>C24—C23—C22</td><td>120.3 (5)</td></tr><tr><td>P3—Pt1—Fe1</td><td>161.46 (3)</td><td>C24—C23—H23</td><td>119.9</td></tr><tr><td>P3—Pt1—P2</td><td>100.53 (4)</td><td>C23—C24—H24</td><td>119.7</td></tr><tr><td>C1—Pt1—Fe1</td><td>54.44 (12)</td><td>C25—C24—C23</td><td>120.5 (5)</td></tr><tr><td>C1—Pt1—P2</td><td>151.36 (12)</td><td>C25—C24—H24</td><td>119.7</td></tr><tr><td>C1—Pt1—P3</td><td>107.33 (12)</td><td>C24—C25—H25</td><td>120.2</td></tr><tr><td>P1—Fe1—Pt1</td><td>93.50 (4)</td><td>C24—C25—C26</td><td>119.5 (5)</td></tr><tr><td>C1—Fe1—Pt1</td><td>50.30 (11)</td><td>C26—C25—H25</td><td>120.2</td></tr><tr><td>C1—Fe1—P1</td><td>141.85 (12)</td><td>C25—C26—H26</td><td>120.0</td></tr><tr><td>C2—Fe1—Pt1</td><td>73.72 (12)</td><td>C27—C26—C25</td><td>119.9 (5)</td></tr><tr><td>C2—Fe1—P1</td><td>130.91 (13)</td><td>C27—C26—H26</td><td>120.0</td></tr><tr><td>C2—Fe1—C1</td><td>38.35 (16)</td><td>C22—C27—C26</td><td>121.3 (5)</td></tr><tr><td>C3—Fe1—Pt1</td><td>72.18 (13)</td><td>C22—C27—H27</td><td>119.3</td></tr><tr><td>C3—Fe1—P1</td><td>88.88 (13)</td><td>C26—C27—H27</td><td>119.3</td></tr><tr><td>C3—Fe1—C1</td><td>70.43 (18)</td><td>C29—C28—P1</td><td>120.7 (3)</td></tr><tr><td>C3—Fe1—C2</td><td>42.03 (17)</td><td>C29—C28—C33</td><td>118.0 (4)</td></tr><tr><td>C20—Fe1—Pt1</td><td>168.78 (14)</td><td>C33—C28—P1</td><td>121.2 (4)</td></tr><tr><td>C20—Fe1—P1</td><td>95.66 (14)</td><td>C28—C29—H29</td><td>119.5</td></tr><tr><td>C20—Fe1—C1</td><td>119.19 (18)</td><td>C28—C29—C30</td><td>120.9 (5)</td></tr><tr><td>C20—Fe1—C2</td><td>95.33 (18)</td><td>C30—C29—H29</td><td>119.5</td></tr><tr><td>C20—Fe1—C3</td><td>101.5 (2)</td><td>C29—C30—H30</td><td>120.1</td></tr><tr><td>C20—Fe1—C21</td><td>96.5 (2)</td><td>C31—C30—C29</td><td>119.8 (5)</td></tr><tr><td>C21—Fe1—Pt1</td><td>87.76 (14)</td><td>C31—C30—H30</td><td>120.1</td></tr><tr><td>C21—Fe1—P1</td><td>102.63 (13)</td><td>C30—C31—H31</td><td>120.1</td></tr><tr><td>C21—Fe1—C1</td><td>89.16 (18)</td><td>C32—C31—C30</td><td>119.8 (5)</td></tr><tr><td>C21—Fe1—C2</td><td>123.33 (18)</td><td>C32—C31—H31</td><td>120.1</td></tr><tr><td>C21—Fe1—C3</td><td>157.6 (2)</td><td>C31—C32—H32</td><td>119.6</td></tr><tr><td>C5—S1—C4</td><td>102.1 (2)</td><td>C31—C32—C33</td><td>120.7 (5)</td></tr><tr><td>C13—S2—C12</td><td>102.2 (2)</td><td>C33—C32—H32</td><td>119.6</td></tr><tr><td>C22—P1—Fe1</td><td>115.03 (13)</td><td>C28—C33—H33</td><td>119.6</td></tr></tbody></table>
<table>
  <tr>
    <td>C22—P1—C28</td>
    <td>100.05 (19)</td>
  </tr>
  <tr>
    <td>C22—P1—C34</td>
    <td>102.6 (2)</td>
  </tr>
  <tr>
    <td>C28—P1—Fe1</td>
    <td>121.17 (15)</td>
  </tr>
  <tr>
    <td>C28—P1—C34</td>
    <td>103.71 (19)</td>
  </tr>
  <tr>
    <td>C34—P1—Fe1</td>
    <td>112.02 (13)</td>
  </tr>
  <tr>
    <td>C34—P2—Pt1</td>
    <td>103.14 (13)</td>
  </tr>
  <tr>
    <td>C35—P2—Pt1</td>
    <td>121.79 (13)</td>
  </tr>
  <tr>
    <td>C35—P2—C34</td>
    <td>102.5 (2)</td>
  </tr>
  <tr>
    <td>C41—P2—Pt1</td>
    <td>121.93 (15)</td>
  </tr>
  <tr>
    <td>C41—P2—C34</td>
    <td>103.99 (19)</td>
  </tr>
  <tr>
    <td>C41—P2—C35</td>
    <td>100.66 (19)</td>
  </tr>
  <tr>
    <td>C47—P3—Pt1</td>
    <td>114.72 (15)</td>
  </tr>
  <tr>
    <td>C47—P3—C53</td>
    <td>108.4 (2)</td>
  </tr>
  <tr>
    <td>C47—P3—C59</td>
    <td>100.6 (2)</td>
  </tr>
  <tr>
    <td>C53—P3—Pt1</td>
    <td>111.32 (15)</td>
  </tr>
  <tr>
    <td>C53—P3—C59</td>
    <td>101.2 (2)</td>
  </tr>
  <tr>
    <td>C59—P3—Pt1</td>
    <td>119.15 (15)</td>
  </tr>
  <tr>
    <td>Pt1—C1—Fe1</td>
    <td>75.25 (13)</td>
  </tr>
  <tr>
    <td>C2—C1—Pt1</td>
    <td>109.1 (3)</td>
  </tr>
  <tr>
    <td>C2—C1—Fe1</td>
    <td>69.2 (2)</td>
  </tr>
  <tr>
    <td>C2—C1—C12</td>
    <td>119.6 (4)</td>
  </tr>
  <tr>
    <td>C12—C1—Pt1</td>
    <td>130.5 (3)</td>
  </tr>
  <tr>
    <td>C12—C1—Fe1</td>
    <td>129.0 (3)</td>
  </tr>
  <tr>
    <td>C1—C2—Fe1</td>
    <td>72.5 (2)</td>
  </tr>
  <tr>
    <td>C1—C2—C3</td>
    <td>111.2 (4)</td>
  </tr>
  <tr>
    <td>C1—C2—C4</td>
    <td>126.2 (4)</td>
  </tr>
  <tr>
    <td>C3—C2—Fe1</td>
    <td>62.1 (2)</td>
  </tr>
  <tr>
    <td>C3—C2—C4</td>
    <td>121.9 (4)</td>
  </tr>
  <tr>
    <td>C4—C2—Fe1</td>
    <td>124.8 (3)</td>
  </tr>
  <tr>
    <td>O3—C3—Fe1</td>
    <td>146.8 (3)</td>
  </tr>
  <tr>
    <td>O3—C3—C2</td>
    <td>136.5 (4)</td>
  </tr>
  <tr>
    <td>C2—C3—Fe1</td>
    <td>75.8 (3)</td>
  </tr>
  <tr>
    <td>S1—C4—H4A</td>
    <td>109.0</td>
  </tr>
  <tr>
    <td>S1—C4—H4B</td>
    <td>109.0</td>
  </tr>
  <tr>
    <td>C2—C4—S1</td>
    <td>112.9 (3)</td>
  </tr>
  <tr>
    <td>C2—C4—H4A</td>
    <td>109.0</td>
  </tr>
  <tr>
    <td>C2—C4—H4B</td>
    <td>109.0</td>
  </tr>
  <tr>
    <td>H4A—C4—H4B</td>
    <td>107.8</td>
  </tr>
  <tr>
    <td>C6—C5—S1</td>
    <td>121.9 (4)</td>
  </tr>
  <tr>
    <td>C6—C5—C10</td>
    <td>118.4 (5)</td>
  </tr>
  <tr>
    <td>C10—C5—S1</td>
    <td>119.7 (4)</td>
  </tr>
  <tr>
    <td>C5—C6—H6</td>
    <td>119.8</td>
  </tr>
  <tr>
    <td>C7—C6—C5</td>
    <td>120.4 (5)</td>
  </tr>
  <tr>
    <td>C7—C6—H6</td>
    <td>119.8</td>
  </tr>
  <tr>
    <td>C6—C7—H7</td>
    <td>118.9</td>
  </tr>
  <tr>
    <td>C6—C7—C8</td>
    <td>122.2 (5)</td>
  </tr>
  <tr>
    <td>C8—C7—H7</td>
    <td>118.9</td>
  </tr>
  <tr>
    <td>C7—C8—C11</td>
    <td>121.0 (5)</td>
  </tr>
</table>

<table>
  <tr>
    <td>C32—C33—C28</td>
    <td>120.7 (5)</td>
  </tr>
  <tr>
    <td>C32—C33—H33</td>
    <td>119.6</td>
  </tr>
  <tr>
    <td>P1—C34—H34A</td>
    <td>109.6</td>
  </tr>
  <tr>
    <td>P1—C34—H34B</td>
    <td>109.6</td>
  </tr>
  <tr>
    <td>P2—C34—P1</td>
    <td>110.3 (2)</td>
  </tr>
  <tr>
    <td>P2—C34—H34A</td>
    <td>109.6</td>
  </tr>
  <tr>
    <td>P2—C34—H34B</td>
    <td>109.6</td>
  </tr>
  <tr>
    <td>H34A—C34—H34B</td>
    <td>108.1</td>
  </tr>
  <tr>
    <td>C36—C35—P2</td>
    <td>118.3 (3)</td>
  </tr>
  <tr>
    <td>C40—C35—P2</td>
    <td>123.3 (3)</td>
  </tr>
  <tr>
    <td>C40—C35—C36</td>
    <td>118.5 (4)</td>
  </tr>
  <tr>
    <td>C35—C36—H36</td>
    <td>119.9</td>
  </tr>
  <tr>
    <td>C37—C36—C35</td>
    <td>120.2 (5)</td>
  </tr>
  <tr>
    <td>C37—C36—H36</td>
    <td>119.9</td>
  </tr>
  <tr>
    <td>C36—C37—H37</td>
    <td>119.8</td>
  </tr>
  <tr>
    <td>C36—C37—C38</td>
    <td>120.4 (5)</td>
  </tr>
  <tr>
    <td>C38—C37—H37</td>
    <td>119.8</td>
  </tr>
  <tr>
    <td>C37—C38—H38</td>
    <td>120.2</td>
  </tr>
  <tr>
    <td>C39—C38—C37</td>
    <td>119.6 (5)</td>
  </tr>
  <tr>
    <td>C39—C38—H38</td>
    <td>120.2</td>
  </tr>
  <tr>
    <td>C38—C39—H39</td>
    <td>120.0</td>
  </tr>
  <tr>
    <td>C38—C39—C40</td>
    <td>120.1 (5)</td>
  </tr>
  <tr>
    <td>C40—C39—H39</td>
    <td>120.0</td>
  </tr>
  <tr>
    <td>C35—C40—H40</td>
    <td>119.4</td>
  </tr>
  <tr>
    <td>C39—C40—C35</td>
    <td>121.2 (4)</td>
  </tr>
  <tr>
    <td>C39—C40—H40</td>
    <td>119.4</td>
  </tr>
  <tr>
    <td>C42—C41—P2</td>
    <td>121.3 (3)</td>
  </tr>
  <tr>
    <td>C42—C41—C46</td>
    <td>118.5 (4)</td>
  </tr>
  <tr>
    <td>C46—C41—P2</td>
    <td>120.1 (3)</td>
  </tr>
  <tr>
    <td>C41—C42—H42</td>
    <td>119.7</td>
  </tr>
  <tr>
    <td>C41—C42—C43</td>
    <td>120.6 (4)</td>
  </tr>
  <tr>
    <td>C43—C42—H42</td>
    <td>119.7</td>
  </tr>
  <tr>
    <td>C42—C43—H43</td>
    <td>120.3</td>
  </tr>
  <tr>
    <td>C44—C43—C42</td>
    <td>119.3 (5)</td>
  </tr>
  <tr>
    <td>C44—C43—H43</td>
    <td>120.3</td>
  </tr>
  <tr>
    <td>C43—C44—H44</td>
    <td>119.3</td>
  </tr>
  <tr>
    <td>C43—C44—C45</td>
    <td>121.3 (4)</td>
  </tr>
  <tr>
    <td>C45—C44—H44</td>
    <td>119.3</td>
  </tr>
  <tr>
    <td>C44—C45—H45</td>
    <td>120.3</td>
  </tr>
  <tr>
    <td>C44—C45—C46</td>
    <td>119.4 (4)</td>
  </tr>
  <tr>
    <td>C46—C45—H45</td>
    <td>120.3</td>
  </tr>
  <tr>
    <td>C41—C46—H46</td>
    <td>119.6</td>
  </tr>
  <tr>
    <td>C45—C46—C41</td>
    <td>120.8 (4)</td>
  </tr>
  <tr>
    <td>C45—C46—H46</td>
    <td>119.6</td>
  </tr>
  <tr>
    <td>C48—C47—P3</td>
    <td>122.3 (4)</td>
  </tr>
  <tr>
    <td>C52—C47—P3</td>
    <td>120.0 (3)</td>
  </tr>
  <tr>
    <td>C52—C47—C48</td>
    <td>117.7 (4)</td>
  </tr>
  <tr>
    <td>C47—C48—H48</td>
    <td>119.5</td>
  </tr>
</table>
<table>
  <tbody>
    <tr>
      <td>C9—C8—C7</td>
      <td>116.9 (5)</td>
    </tr>
    <tr>
      <td>C9—C8—C11</td>
      <td>122.1 (5)</td>
    </tr>
    <tr>
      <td>C8—C9—H9</td>
      <td>118.9</td>
    </tr>
    <tr>
      <td>C8—C9—C10</td>
      <td>122.2 (5)</td>
    </tr>
    <tr>
      <td>C10—C9—H9</td>
      <td>118.9</td>
    </tr>
    <tr>
      <td>C5—C10—H10</td>
      <td>120.0</td>
    </tr>
    <tr>
      <td>C9—C10—C5</td>
      <td>119.9 (5)</td>
    </tr>
    <tr>
      <td>C9—C10—H10</td>
      <td>120.0</td>
    </tr>
    <tr>
      <td>C8—C11—H11A</td>
      <td>109.5</td>
    </tr>
    <tr>
      <td>C8—C11—H11B</td>
      <td>109.5</td>
    </tr>
    <tr>
      <td>C8—C11—H11C</td>
      <td>109.5</td>
    </tr>
    <tr>
      <td>H11A—C11—H11B</td>
      <td>109.5</td>
    </tr>
    <tr>
      <td>H11A—C11—H11C</td>
      <td>109.5</td>
    </tr>
    <tr>
      <td>H11B—C11—H11C</td>
      <td>109.5</td>
    </tr>
    <tr>
      <td>S2—C12—H12A</td>
      <td>109.1</td>
    </tr>
    <tr>
      <td>S2—C12—H12B</td>
      <td>109.1</td>
    </tr>
    <tr>
      <td>C1—C12—S2</td>
      <td>112.3 (3)</td>
    </tr>
    <tr>
      <td>C1—C12—H12A</td>
      <td>109.1</td>
    </tr>
    <tr>
      <td>C1—C12—H12B</td>
      <td>109.1</td>
    </tr>
    <tr>
      <td>H12A—C12—H12B</td>
      <td>107.9</td>
    </tr>
    <tr>
      <td>C14—C13—S2</td>
      <td>124.4 (4)</td>
    </tr>
    <tr>
      <td>C18—C13—S2</td>
      <td>118.1 (3)</td>
    </tr>
    <tr>
      <td>C18—C13—C14</td>
      <td>117.5 (4)</td>
    </tr>
    <tr>
      <td>C13—C14—H14</td>
      <td>119.6</td>
    </tr>
    <tr>
      <td>C15—C14—C13</td>
      <td>120.7 (4)</td>
    </tr>
    <tr>
      <td>C15—C14—H14</td>
      <td>119.6</td>
    </tr>
    <tr>
      <td>C14—C15—H15</td>
      <td>119.1</td>
    </tr>
    <tr>
      <td>C16—C15—C14</td>
      <td>121.7 (4)</td>
    </tr>
    <tr>
      <td>C16—C15—H15</td>
      <td>119.1</td>
    </tr>
    <tr>
      <td>C15—C16—C17</td>
      <td>117.2 (4)</td>
    </tr>
    <tr>
      <td>C15—C16—C19</td>
      <td>121.7 (4)</td>
    </tr>
    <tr>
      <td>C17—C16—C19</td>
      <td>121.1 (5)</td>
    </tr>
    <tr>
      <td>C16—C17—H17</td>
      <td>119.2</td>
    </tr>
    <tr>
      <td>C18—C17—C16</td>
      <td>121.6 (5)</td>
    </tr>
    <tr>
      <td>C18—C17—H17</td>
      <td>119.2</td>
    </tr>
    <tr>
      <td>C13—C18—H18</td>
      <td>119.4</td>
    </tr>
    <tr>
      <td>C17—C18—C13</td>
      <td>121.2 (4)</td>
    </tr>
    <tr>
      <td>C17—C18—H18</td>
      <td>119.4</td>
    </tr>
    <tr>
      <td>C16—C19—H19A</td>
      <td>109.5</td>
    </tr>
    <tr>
      <td>C16—C19—H19B</td>
      <td>109.5</td>
    </tr>
    <tr>
      <td>C16—C19—H19C</td>
      <td>109.5</td>
    </tr>
    <tr>
      <td>H19A—C19—H19B</td>
      <td>109.5</td>
    </tr>
    <tr>
      <td>H19A—C19—H19C</td>
      <td>109.5</td>
    </tr>
    <tr>
      <td>H19B—C19—H19C</td>
      <td>109.5</td>
    </tr>
    <tr>
      <td>O2—C20—Fe1</td>
      <td>178.7 (4)</td>
    </tr>
    <tr>
      <td>O1—C21—Fe1</td>
      <td>179.9 (5)</td>
    </tr>
    <tr>
      <td>C23—C22—P1</td>
      <td>116.6 (4)</td>
    </tr>
    <tr>
      <td>C27—C22—P1</td>
      <td>124.9 (4)</td>
    </tr>
  </tbody>
</table>

<table>
  <tbody>
    <tr>
      <td>C49—C48—C47</td>
      <td>121.0 (5)</td>
    </tr>
    <tr>
      <td>C49—C48—H48</td>
      <td>119.5</td>
    </tr>
    <tr>
      <td>C48—C49—H49</td>
      <td>119.8</td>
    </tr>
    <tr>
      <td>C48—C49—C50</td>
      <td>120.5 (5)</td>
    </tr>
    <tr>
      <td>C50—C49—H49</td>
      <td>119.8</td>
    </tr>
    <tr>
      <td>C49—C50—H50</td>
      <td>120.2</td>
    </tr>
    <tr>
      <td>C51—C50—C49</td>
      <td>119.6 (5)</td>
    </tr>
    <tr>
      <td>C51—C50—H50</td>
      <td>120.2</td>
    </tr>
    <tr>
      <td>C50—C51—H51</td>
      <td>120.1</td>
    </tr>
    <tr>
      <td>C50—C51—C52</td>
      <td>119.8 (5)</td>
    </tr>
    <tr>
      <td>C52—C51—H51</td>
      <td>120.1</td>
    </tr>
    <tr>
      <td>C47—C52—C51</td>
      <td>121.3 (4)</td>
    </tr>
    <tr>
      <td>C47—C52—H52</td>
      <td>119.3</td>
    </tr>
    <tr>
      <td>C51—C52—H52</td>
      <td>119.3</td>
    </tr>
    <tr>
      <td>C54—C53—P3</td>
      <td>116.1 (3)</td>
    </tr>
    <tr>
      <td>C54—C53—C58</td>
      <td>118.7 (4)</td>
    </tr>
    <tr>
      <td>C58—C53—P3</td>
      <td>125.1 (4)</td>
    </tr>
    <tr>
      <td>C53—C54—H54</td>
      <td>119.5</td>
    </tr>
    <tr>
      <td>C55—C54—C53</td>
      <td>121.0 (5)</td>
    </tr>
    <tr>
      <td>C55—C54—H54</td>
      <td>119.5</td>
    </tr>
    <tr>
      <td>C54—C55—H55</td>
      <td>120.3</td>
    </tr>
    <tr>
      <td>C56—C55—C54</td>
      <td>119.4 (5)</td>
    </tr>
    <tr>
      <td>C56—C55—H55</td>
      <td>120.3</td>
    </tr>
    <tr>
      <td>C55—C56—H56</td>
      <td>119.8</td>
    </tr>
    <tr>
      <td>C57—C56—C55</td>
      <td>120.5 (4)</td>
    </tr>
    <tr>
      <td>C57—C56—H56</td>
      <td>119.8</td>
    </tr>
    <tr>
      <td>C56—C57—H57</td>
      <td>120.0</td>
    </tr>
    <tr>
      <td>C56—C57—C58</td>
      <td>120.0 (5)</td>
    </tr>
    <tr>
      <td>C58—C57—H57</td>
      <td>120.0</td>
    </tr>
    <tr>
      <td>C53—C58—C57</td>
      <td>120.4 (5)</td>
    </tr>
    <tr>
      <td>C53—C58—H58</td>
      <td>119.8</td>
    </tr>
    <tr>
      <td>C57—C58—H58</td>
      <td>119.8</td>
    </tr>
    <tr>
      <td>C60—C59—P3</td>
      <td>122.2 (3)</td>
    </tr>
    <tr>
      <td>C60—C59—C64</td>
      <td>118.9 (4)</td>
    </tr>
    <tr>
      <td>C64—C59—P3</td>
      <td>118.9 (3)</td>
    </tr>
    <tr>
      <td>C59—C60—H60</td>
      <td>119.9</td>
    </tr>
    <tr>
      <td>C61—C60—C59</td>
      <td>120.2 (4)</td>
    </tr>
    <tr>
      <td>C61—C60—H60</td>
      <td>119.9</td>
    </tr>
    <tr>
      <td>C60—C61—H61</td>
      <td>119.6</td>
    </tr>
    <tr>
      <td>C62—C61—C60</td>
      <td>120.9 (5)</td>
    </tr>
    <tr>
      <td>C62—C61—H61</td>
      <td>119.6</td>
    </tr>
    <tr>
      <td>C61—C62—H62</td>
      <td>120.6</td>
    </tr>
    <tr>
      <td>C63—C62—C61</td>
      <td>118.8 (4)</td>
    </tr>
    <tr>
      <td>C63—C62—H62</td>
      <td>120.6</td>
    </tr>
    <tr>
      <td>C62—C63—H63</td>
      <td>119.4</td>
    </tr>
    <tr>
      <td>C62—C63—C64</td>
      <td>121.1 (4)</td>
    </tr>
    <tr>
      <td>C64—C63—H63</td>
      <td>119.4</td>
    </tr>
    <tr>
      <td>C59—C64—H64</td>
      <td>119.9</td>
    </tr>
  </tbody>
</table>
C27—C22—C23 118.4 (4)
C22—C23—H23 119.9

Pt1—P2—C34—P1 52.0 (2)
Pt1—P2—C35—C36 -87.5 (3)
Pt1—P2—C35—C40 92.7 (4)
Pt1—P2—C41—C42 -5.3 (4)
Pt1—P2—C41—C46 177.8 (3)
Pt1—P3—C47—C48 -174.1 (3)
Pt1—P3—C47—C52 2.6 (4)
Pt1—P3—C53—C54 34.5 (4)
Pt1—P3—C53—C58 -148.9 (3)
Pt1—P3—C59—C60 -122.1 (4)
Pt1—P3—C59—C64 57.8 (4)
Pt1—C1—C2—Fe1 -65.2 (2)
Pt1—C1—C2—C3 -15.6 (4)
Pt1—C1—C2—C4 174.2 (3)
Pt1—C1—C12—S2 18.9 (5)
Fe1—P1—C22—C23 72.6 (3)
Fe1—P1—C22—C27 -103.6 (3)
Fe1—P1—C28—C29 -18.2 (5)
Fe1—P1—C28—C33 162.1 (3)
Fe1—P1—C34—P2 -48.1 (2)
Fe1—C1—C2—C3 49.6 (3)
Fe1—C1—C2—C4 -120.6 (4)
Fe1—C1—C12—S2 -86.2 (4)
Fe1—C2—C3—O3 -170.8 (6)
Fe1—C2—C4—S1 -172.3 (2)
S1—C5—C6—C7 -179.4 (4)
S1—C5—C10—C9 180.0 (4)
S2—C13—C14—C15 -175.3 (4)
S2—C13—C18—C17 176.1 (4)
P1—C22—C23—C24 -175.4 (3)
P1—C22—C27—C26 175.5 (3)
P1—C28—C29—C30 178.5 (4)
P1—C28—C33—C32 -178.5 (4)
P2—C35—C36—C37 -179.9 (3)
P2—C35—C40—C39 179.0 (3)
P2—C41—C42—C43 -176.3 (4)
P2—C41—C46—C45 177.1 (3)
P3—C47—C48—C49 -179.2 (3)
P3—C47—C52—C51 -179.3 (3)
P3—C53—C54—C55 177.3 (3)
P3—C53—C58—C57 -175.9 (3)
P3—C59—C60—C61 179.5 (4)
P3—C59—C64—C63 -179.3 (4)
C1—C2—C3—Fe1 -55.2 (3)
C1—C2—C3—O3 134.0 (6)

C63—C64—C59 120.1 (4)
C63—C64—H64 119.9

C22—P1—C28—C29 109.4 (4)
C22—P1—C28—C33 -70.4 (4)
C22—P1—C34—P2 -172.0 (2)
C22—C23—C24—C25 0.1 (6)
C23—C22—C27—C26 -0.6 (6)
C23—C24—C25—C26 -1.6 (7)
C24—C25—C26—C27 2.0 (7)
C25—C26—C27—C22 -0.9 (7)
C27—C22—C23—C24 1.0 (6)
C28—P1—C22—C23 -58.9 (3)
C28—P1—C22—C27 124.9 (4)
C28—P1—C34—P2 84.2 (2)
C28—C29—C30—C31 0.1 (8)
C29—C28—C33—C32 1.8 (7)
C29—C30—C31—C32 1.4 (8)
C30—C31—C32—C33 -1.4 (8)
C31—C32—C33—C28 -0.2 (8)
C33—C28—C29—C30 -1.7 (7)
C34—P1—C22—C23 -165.5 (3)
C34—P1—C22—C27 18.3 (4)
C34—P1—C28—C29 -144.9 (4)
C34—P1—C28—C33 35.3 (4)
C34—P2—C35—C36 158.2 (3)
C34—P2—C35—C40 -21.6 (4)
C34—P2—C41—C42 110.2 (4)
C34—P2—C41—C46 -66.6 (4)
C35—P2—C34—P1 179.29 (19)
C35—P2—C41—C42 -143.8 (4)
C35—P2—C41—C46 39.3 (4)
C35—C36—C37—C38 0.6 (6)
C36—C35—C40—C39 -0.8 (6)
C36—C37—C38—C39 -0.1 (7)
C37—C38—C39—C40 -0.8 (7)
C38—C39—C40—C35 1.3 (7)
C40—C35—C36—C37 -0.1 (6)
C41—P2—C34—P1 -76.2 (2)
C41—P2—C35—C36 51.1 (3)
C41—P2—C35—C40 -128.7 (4)
C41—C42—C43—C44 -0.1 (7)
C42—C41—C46—C45 0.2 (7)
C42—C43—C44—C45 -1.1 (8)
C43—C44—C45—C46 1.8 (7)
C44—C45—C46—C41 -1.3 (7)
C46—C41—C42—C43 0.5 (7)
C47—P3—C53—C54 161.5 (3)
<table><tr><td>C1—C2—C4—S1</td><td>-79.3 (5)</td></tr><tr><td>C2—C1—C12—S2</td><td>-172.5 (3)</td></tr><tr><td>C3—C2—C4—S1</td><td>111.4 (4)</td></tr><tr><td>C4—S1—C5—C6</td><td>72.5 (4)</td></tr><tr><td>C4—S1—C5—C10</td><td>-108.5 (4)</td></tr><tr><td>C4—C2—C3—Fe1</td><td>115.5 (4)</td></tr><tr><td>C4—C2—C3—O3</td><td>-55.3 (8)</td></tr><tr><td>C5—S1—C4—C2</td><td>-78.1 (4)</td></tr><tr><td>C5—C6—C7—C8</td><td>-1.0 (8)</td></tr><tr><td>C6—C5—C10—C9</td><td>-0.9 (7)</td></tr><tr><td>C6—C7—C8—C9</td><td>-0.2 (8)</td></tr><tr><td>C6—C7—C8—C11</td><td>179.4 (5)</td></tr><tr><td>C7—C8—C9—C10</td><td>0.8 (8)</td></tr><tr><td>C8—C9—C10—C5</td><td>-0.3 (8)</td></tr><tr><td>C10—C5—C6—C7</td><td>1.6 (7)</td></tr><tr><td>C11—C8—C9—C10</td><td>-178.7 (5)</td></tr><tr><td>C12—S2—C13—C14</td><td>-36.3 (5)</td></tr><tr><td>C12—S2—C13—C18</td><td>146.7 (4)</td></tr><tr><td>C12—C1—C2—Fe1</td><td>124.0 (4)</td></tr><tr><td>C12—C1—C2—C3</td><td>173.6 (4)</td></tr><tr><td>C12—C1—C2—C4</td><td>3.3 (7)</td></tr><tr><td>C13—S2—C12—C1</td><td>-166.4 (3)</td></tr><tr><td>C13—C14—C15—C16</td><td>-1.5 (8)</td></tr><tr><td>C14—C13—C18—C17</td><td>-1.1 (7)</td></tr><tr><td>C14—C15—C16—C17</td><td>0.6 (7)</td></tr><tr><td>C14—C15—C16—C19</td><td>179.8 (5)</td></tr><tr><td>C15—C16—C17—C18</td><td>-0.1 (7)</td></tr><tr><td>C16—C17—C18—C13</td><td>0.4 (8)</td></tr><tr><td>C18—C13—C14—C15</td><td>1.7 (7)</td></tr><tr><td>C19—C16—C17—C18</td><td>-179.3 (5)</td></tr></table>

<table><caption>Hydrogen-bond geometry (Å, °)</caption><tr><td>C47—P3—C53—C58</td><td>-21.8 (4)</td></tr><tr><td>C47—P3—C59—C60</td><td>111.6 (4)</td></tr><tr><td>C47—P3—C59—C64</td><td>-68.5 (4)</td></tr><tr><td>C47—C48—C49—C50</td><td>-2.6 (7)</td></tr><tr><td>C48—C47—C52—C51</td><td>-2.3 (6)</td></tr><tr><td>C48—C49—C50—C51</td><td>-0.5 (7)</td></tr><tr><td>C49—C50—C51—C52</td><td>2.1 (7)</td></tr><tr><td>C50—C51—C52—C47</td><td>-0.6 (7)</td></tr><tr><td>C52—C47—C48—C49</td><td>3.9 (6)</td></tr><tr><td>C53—P3—C47—C48</td><td>60.8 (4)</td></tr><tr><td>C53—P3—C47—C52</td><td>-122.4 (3)</td></tr><tr><td>C53—P3—C59—C60</td><td>0.3 (4)</td></tr><tr><td>C53—P3—C59—C64</td><td>-179.9 (4)</td></tr><tr><td>C53—C54—C55—C56</td><td>-0.3 (7)</td></tr><tr><td>C54—C53—C58—C57</td><td>0.7 (6)</td></tr><tr><td>C54—C55—C56—C57</td><td>-0.9 (7)</td></tr><tr><td>C55—C56—C57—C58</td><td>1.9 (7)</td></tr><tr><td>C56—C57—C58—C53</td><td>-1.9 (7)</td></tr><tr><td>C58—C53—C54—C55</td><td>0.4 (6)</td></tr><tr><td>C59—P3—C47—C48</td><td>-44.9 (4)</td></tr><tr><td>C59—P3—C47—C52</td><td>131.8 (3)</td></tr><tr><td>C59—P3—C53—C54</td><td>-93.2 (3)</td></tr><tr><td>C59—P3—C53—C58</td><td>83.5 (4)</td></tr><tr><td>C59—C60—C61—C62</td><td>-0.3 (8)</td></tr><tr><td>C60—C59—C64—C63</td><td>0.6 (7)</td></tr><tr><td>C60—C61—C62—C63</td><td>0.8 (8)</td></tr><tr><td>C61—C62—C63—C64</td><td>-0.6 (8)</td></tr><tr><td>C62—C63—C64—C59</td><td>-0.1 (8)</td></tr><tr><td>C64—C59—C60—C61</td><td>-0.4 (7)</td></tr></table>

<table><thead><tr><th>D—H···A</th><th>D—H</th><th>H···A</th><th>D···A</th><th>D—H···A</th></tr></thead><tbody><tr><td>C15—H15···O1<sup>i</sup></td><td>0.93</td><td>2.67</td><td>3.316 (6)</td><td>128</td></tr><tr><td>C34—H34A···O3</td><td>0.97</td><td>2.62</td><td>3.271 (5)</td><td>125</td></tr><tr><td>C39—H39···O3<sup>ii</sup></td><td>0.93</td><td>2.49</td><td>3.239 (6)</td><td>138</td></tr></tbody></table>

Symmetry codes: (i) x, -y+3/2, z-1/2; (ii) -x+1, -y+1, -z+1.