Crystal structure of {μ~2~-1,2-bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2κ^2^<i>C</i>^3^:<i>C</i>^1^}dicarbonyl-1κ^2^<i>C</i>-[μ~2~-methylenebis(diphenylphosphane)-1:2κ^2^<i>P</i>:<i>P</i>'](triphenylphosphane-2κ<i>P</i>)ironplatinum(<i>Fe</i>—<i>Pt</i>), [(OC)~2~Fe(μ-dppm){μ-C(=O)C(4-MeC~6~H~4~SCH~2~)=CCH~2~SC~6~H~4~Me-4}Pt(PPh~3~)]
Mohamed, Ahmed Said; Jourdain, Isabelle; Knorr, Michael; Brieger, Lukas; Strohmann, Carsten; Acta Crystallographica Section E 76 (2020) 1087–1091; doi:10.1107/S2056989020007859

data_2243526
_publ_section_title
;
 Crystal structure of
 {\m~2~-1,2-bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2\k^2^<i>C</i>^3^:<i>C</i>^1^}dicarbonyl-1\k^2^<i>C</i>-[\m~2~-methylenebis(diphenylphosphane)-1:2\k^2^<i>P</i>:<i>P</i>'](triphenylphosphane-2\k<i>P</i>)ironplatinum(<i>Fe</i>---<i>Pt</i>),
 [(OC)~2~Fe(\m-dppm){\m-C(=O)C(4-MeC~6~H~4~SCH~2~)=CCH~2~SC~6~H~4~Me-4}Pt(PPh~3~)]
;
_journal_coeditor_code           PK2630
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1087
_journal_page_last               1091
_journal_paper_doi               10.1107/S2056989020007859
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac
'[Fe Pt (C19 H18 O S2) (C18 H15 P) (C25 H22 P2) (C O)2]'
_chemical_formula_moiety         'C64 H55 Fe O3 P3 Pt S2'
_chemical_formula_sum            'C64 H55 Fe O3 P3 Pt S2'
_chemical_formula_weight         1280.05
_chemical_name_systematic
{\m~2~-1,2-Bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2<i>C</i>^3^:<i>C</i>^1^}dicarbonyl-1\k^2^<i>C</i>-[\m~2~-methylenebis(diphenylphosphane)-1:2\k^2^<i>P</i>:<i>P</i>'](triphenylphosphane-2\k<i>P</i>)ironplatinum(<i>Fe</i>---<i>Pt</i>)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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;
Olex2 1.3-alpha
(compiled 2020.05.07 svn.rd67b107b for OlexSys, GUI svn.r6105)
;
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_cell_angle_beta                 111.970(5)
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_cell_formula_units_Z            4
_cell_length_a                   12.0071(6)
_cell_length_b                   36.1737(15)
_cell_length_c                   13.6980(6)
_cell_measurement_reflns_used    9511
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.7340
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;
CrysAlisPro (Agilent, 2014)
;
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;
CrysAlisPro (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlisPro (Agilent, 2014)
;
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;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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SHELXL  (Sheldrick, 2015b)
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<i>SHELXT2014/5</i> (Sheldrick, 2015a)
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_diffrn_detector                 'CCD plate'
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Agilent Technologies Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            47863
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.750
_diffrn_reflns_theta_min         2.234
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.005
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83733
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPro;  Agilent, 2014)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_description       plate
_exptl_crystal_F_000             2576
_exptl_crystal_size_max          0.234
_exptl_crystal_size_mid          0.152
_exptl_crystal_size_min          0.051
_refine_diff_density_max         1.119
_refine_diff_density_min         -0.638
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     669
_refine_ls_number_reflns         10566
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0568
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0274P)^2^+0.5475P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0693
_refine_ls_wR_factor_ref         0.0764
_reflns_number_gt                8245
_reflns_number_total             10566
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            pk2630sup1.cif
_cod_data_source_block           I
_cod_database_code               2243526
_shelx_estimated_absorpt_t_min   0.540
_shelx_estimated_absorpt_t_max   0.862
_shelx_hkl_checksum              71820
_shelx_res_checksum              25779
_cod_database_fobs_code 2243526