Synthesis, Structure, and Reactivity of Pentamethylcyclopentadienyl 2,4,6-Triphenylphosphinine Iron Complexes
Rezaei Rad, Babak; Chakraborty, Uttam; Mühldorf, Bernd; Sklorz, Julian A. W.; Bodensteiner, Michael; Müller, Christian; Wolf, Robert; Organometallics 34 (2015) 622–; doi:10.1021/om501161y

data_4085329
_publ_section_title
;
 Synthesis, Structure, and Reactivity of Pentamethylcyclopentadienyl
 2,4,6-Triphenylphosphinine Iron Complexes
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              622
_journal_paper_doi               10.1021/om501161y
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C33 H32 Fe P, C20 H40 K O8'
_chemical_formula_sum            'C53 H72 Fe K O8 P'
_chemical_formula_weight         963.03
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-08-26
_audit_creation_method
;
Olex2 1.2
(compiled 2014.05.21 svn.r2940 for OlexSys, GUI svn.r4846)
;
_cell_angle_alpha                95.026(2)
_cell_angle_beta                 91.723(2)
_cell_angle_gamma                91.733(2)
_cell_formula_units_Z            4
_cell_length_a                   12.2587(3)
_cell_length_b                   12.8618(3)
_cell_length_c                   32.6338(6)
_cell_measurement_reflns_used    22610
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      70.8002
_cell_volume                     5120.4(2)
_computing_cell_refinement
'CrysAlisPro, Agilent Technologies, Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET) (compiled Oct 27 2011,15:02:11)'
_computing_data_collection
'CrysAlisPro, Agilent Technologies, Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET) (compiled Oct 27 2011,15:02:11)'
_computing_data_reduction
'CrysAlisPro, Agilent Technologies, Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET) (compiled Oct 27 2011,15:02:11)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(1)
_diffrn_detector_area_resol_mean 10.3546
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_details
;
  1 omega  -75.00   20.00   0.5000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.9564   99.0000 -152.0000 190

  2 omega  -68.00   28.00   0.5000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.9564   57.0000  120.0000 192

  3 omega -112.00  -16.00   0.5000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.9564  -57.0000  -30.0000 192

  4 omega   23.00  135.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      101.1429  -77.0000 -120.0000 224

  5 omega   30.00  121.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      101.1429 -125.0000  120.0000 182

  6 omega   25.00   69.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      101.1429  -30.0000   60.0000 88

  7 omega   18.00  109.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      101.1429  -94.0000 -180.0000 182

  8 omega   24.00   69.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      101.1429  -30.0000  -60.0000 90

  9 omega   67.00  152.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      101.1429   77.0000   30.0000 170

 10 omega   41.00   99.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      101.1429   15.0000  -90.0000 116

 11 omega  120.00  154.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      101.1429   15.0000  -90.0000 68

 12 omega   71.00  155.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      101.1429   30.0000  -30.0000 168

 13 omega -115.00  -11.00   0.5000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.9564  -57.0000   30.0000 208

 14 omega -120.00   -7.00   0.5000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.9564  -77.0000 -120.0000 226

 15 omega -115.00  -11.00   0.5000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.9564  -57.0000  120.0000 208

 16 omega -159.00  -51.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -83.0000  -70.0000  -97.0000 216

 17 omega -161.00  -50.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -83.0000  -75.0000  154.0000 222

 18 omega   67.00  158.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      101.1429   77.0000  -30.0000 182

 19 omega   67.00   92.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      101.1429   77.0000   60.0000 50

 20 omega   74.00  158.00   0.5000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      101.1429   45.0000  120.0000 168
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0301463000
_diffrn_orient_matrix_UB_12      0.0854405000
_diffrn_orient_matrix_UB_13      0.0349183000
_diffrn_orient_matrix_UB_21      0.0614185000
_diffrn_orient_matrix_UB_22      0.0631641000
_diffrn_orient_matrix_UB_23      -0.0305860000
_diffrn_orient_matrix_UB_31      -0.1055605000
_diffrn_orient_matrix_UB_32      0.0564123000
_diffrn_orient_matrix_UB_33      -0.0096829000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_av_unetI/netI     0.0430
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            52905
_diffrn_reflns_theta_full        70.93
_diffrn_reflns_theta_max         70.93
_diffrn_reflns_theta_min         3.45
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    3.791
_exptl_absorpt_correction_T_max  0.765
_exptl_absorpt_correction_T_min  0.335
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
'CrysAlisPro, Agilent Technologies, Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET) (compiled Oct 27 2011,15:02:11) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)'
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.2615
_exptl_crystal_size_mid          0.1416
_exptl_crystal_size_min          0.0437
_refine_diff_density_max         0.511
_refine_diff_density_min         -0.770
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1353
_refine_ls_number_reflns         18868
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0571
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0680P)^2^+3.9818P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1460
_refine_ls_wR_factor_ref         0.1510
_reflns_number_gt                16881
_reflns_number_total             18868
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            om501161y_si_002.cif
_cod_data_source_block           K1
_cod_depositor_comments
'Adding full bibliography for 4085329--4085336.cif.'
_cod_database_code               4085329
_chemical_oxdiff_formula         'C120 H90 Fe4 K4'
_reflns_odcompleteness_completeness 98.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     64.99
_olex2_refinement_description
;
1. Others
 Fixed Sof: C21(0.5) C22(0.5) C23(0.5) C24(0.5) C25(0.5) C26(0.5) H26A(0.5)
 H26B(0.5) H26C(0.5) C27(0.5) H27A(0.5) H27B(0.5) H27C(0.5) C28(0.5) H28A(0.5)
 H28B(0.5) H28C(0.5) C29(0.5) H29A(0.5) H29B(0.5) H29C(0.5) C30(0.5) H30A(0.5)
 H30B(0.5) H30C(0.5) C41(0.5) C42(0.5) C43(0.5) C44(0.5) C45(0.5) C46(0.5)
 H46A(0.5) H46B(0.5) H46C(0.5) C47(0.5) H47A(0.5) H47B(0.5) H47C(0.5) C48(0.5)
 H48A(0.5) H48B(0.5) H48C(0.5) C49(0.5) H49A(0.5) H49B(0.5) H49C(0.5) C50(0.5)
 H50A(0.5) H50B(0.5) H50C(0.5)
 Fixed Uiso: H2A(0.038) H4A(0.045) H12A(0.054) H13A(0.07) H14A(0.078)
 H15A(0.077) H16A(0.057) H26A(0.096) H26B(0.096) H26C(0.096) H27A(0.093)
 H27B(0.093) H27C(0.093) H28A(0.073) H28B(0.073) H28C(0.073) H29A(0.079)
 H29B(0.079) H29C(0.079) H30A(0.094) H30B(0.094) H30C(0.094) H46A(0.081)
 H46B(0.081) H46C(0.081) H47A(0.081) H47B(0.081) H47C(0.081) H48A(0.075)
 H48B(0.075) H48C(0.075) H49A(0.084) H49B(0.084) H49C(0.084) H50A(0.088)
 H50B(0.088) H50C(0.088) H32A(0.058) H33A(0.076) H34A(0.079) H35A(0.072)
 H36A(0.055) H52A(0.071) H53A(0.091) H55A(0.078) H56A(0.062) H10A(0.07)
 H11A(0.087) H11B(0.094) H13B(0.097) H13C(0.118) H13D(0.129) H13E(0.106)
 H20A(0.083) H20B(0.083) H20C(0.089) H20D(0.089) H20E(0.094) H20F(0.094)
 H20G(0.087) H20H(0.087) H20I(0.084) H20J(0.084) H20K(0.093) H20L(0.093)
 H20M(0.106) H20N(0.106) H20O(0.104) H20P(0.104) H20Q(0.093) H20R(0.093)
 H21A(0.095) H21B(0.095) H21C(0.1) H21D(0.1) H22A(0.088) H22B(0.088)
 H21E(0.154) H21F(0.154) H21G(0.154) H21H(0.107) H21I(0.107) H21J(0.107)
 H21K(0.13) H21L(0.13) H21M(0.13) H21N(0.208) H21O(0.208) H21P(0.208)
 H22C(0.252) H22D(0.252) H22E(0.252) H23A(0.118) H23B(0.118) H23C(0.125)
 H23D(0.125) H23E(0.095) H23F(0.095) H23G(0.093) H23H(0.093) H23I(0.081)
 H23J(0.081) H23K(0.137) H23L(0.137) H23M(0.235) H23N(0.235) H23O(0.111)
 H23P(0.111) H27D(0.081) H27E(0.081) H27F(0.235) H27G(0.235) H27H(0.111)
 H27I(0.111) H27X(0.137) H27J(0.137) H30D(0.144) H30E(0.144) H30F(0.162)
 H30G(0.162) H30H(0.19) H30I(0.19) H30J(0.197) H30K(0.197) H30L(0.126)
 H30M(0.126) H30N(0.138) H30O(0.138) H30P(0.118) H30Q(0.118) H30R(0.116)
 H30S(0.116) H30T(0.11) H30U(0.11) H31A(0.126) H31B(0.126) H31C(0.129)
 H31D(0.129) H31E(0.138) H31F(0.138) H11C(0.088) H11D(0.088) H11E(0.076)
 H54A(0.083) H13F(0.137) H10B(0.088) H152(0.164) H15D(0.191) H15E(0.171)
 H15F(0.139) H15G(0.112) H604(0.088) H652(0.164) H653(0.191) H654(0.171)
 H655(0.139) H656(0.112) H50D(0.167) H50E(0.167) H50F(0.139) H50G(0.139)
 H50H(0.148) H50I(0.148) H50J(0.204) H50K(0.204) H51E(0.167) H51F(0.167)
 H51A(0.139) H51B(0.139) H51C(0.148) H51D(0.148) H51G(0.204) H51H(0.204)
 H19A(0.138) H19B(0.138) H19C(0.13) H19D(0.13) H19E(0.179) H19F(0.179)
 H19G(0.297) H19H(0.297) H29P(0.135) H29Q(0.135) H29R(0.116) H29S(0.116)
 H29T(0.19) H29U(0.19) H29V(0.153) H29W(0.153)
 Fixed X: H2A(0.4547) H4A(0.2056) H12A(0.5343) H13A(0.5967) H14A(0.5401)
 H15A(0.4232) H16A(0.3577) H26A(0.6791) H26B(0.6211) H26C(0.5518) H27A(0.7864)
 H27B(0.6979) H27C(0.6864) H28A(0.7287) H28B(0.6068) H28C(0.6621) H29A(0.5734)
 H29B(0.4554) H29C(0.4981) H30A(0.5555) H30B(0.4749) H30C(0.4416) H46A(0.7597)
 H46B(0.6857) H46C(0.6423) H47A(0.7833) H47B(0.6747) H47C(0.6983) H48A(0.6677)
 H48B(0.5401) H48C(0.5949) H49A(0.5563) H49B(0.4536) H49C(0.4614) H50A(0.6198)
 H50B(0.5515) H50C(0.4942) H32A(0.3303) H33A(0.3783) H34A(0.4738) H35A(0.5214)
 H36A(0.4774) H52A(0.1371) H53A(-0.0408) H55A(-0.1409) H56A(0.0349)
 H10A(0.9655) H11A(1.0985) H11B(1.2589) H13B(0.6268) H13C(0.5636) H13D(0.8515)
 H13E(0.9132) H20A(0.2624) H20B(0.2146) H20C(0.1379) H20D(0.2662) H20E(0.2894)
 H20F(0.1676) H20G(0.2111) H20H(0.2287) H20I(0.0819) H20J(0.0515) H20K(-0.1191)
 H20L(-0.1067) H20M(-0.2308) H20N(-0.2441) H20O(-0.2746) H20P(-0.1507) H20Q(-
 0.1127) H20R(-0.2382) H21A(-0.1973) H21B(-0.1469) H21C(-0.0079) H21D(-0.0581)
 H22A(0.1299) H22B(0.1552) H21E(0.853) H21F(0.8622) H21G(0.9461) H21H(0.5973)
 H21I(0.5932) H21J(0.6935) H21K(0.4879) H21L(0.5445) H21M(0.5248) H21N(0.6663)
 H21O(0.7728) H21P(0.6607) H22C(0.8983) H22D(0.9757) H22E(0.9268) H23A(-0.1693)
 H23B(-0.2646) H23C(-0.1315) H23D(-0.2466) H23E(-0.0503) H23F(-0.1656) H23G(-
 0.171) H23H(-0.0432) H23I(0.2141) H23J(0.0875) H23K(0.2174) H23L(0.1007)
 H23M(0.1749) H23N(0.2908) H23O(0.2376) H23P(0.3215) H27D(0.0745) H27E(0.056)
 H27F(0.2944) H27G(0.3195) H27H(0.2032) H27I(0.1526) H27X(0.221) H27J(0.2489)
 H30D(0.4288) H30E(0.4281) H30F(0.2474) H30G(0.2553) H30H(0.0975) H30I(0.0838)
 H30J(0.0084) H30K(0.1267) H30L(0.1223) H30M(0.0007) H30N(0.0558) H30O(0.0621)
 H30P(0.1936) H30Q(0.1937) H30R(0.3635) H30S(0.3783) H30T(0.5364) H30U(0.5265)
 H31A(0.5045) H31B(0.6201) H31C(0.6431) H31D(0.5326) H31E(0.5774) H31F(0.5653)
 H11C(1.3039) H11D(1.1843) H11E(1.0261) H54A(-0.1805) H13F(0.6768) H10B(0.7546)
 H152(0.8) H15D(0.7868) H15E(0.7592) H15F(0.7634) H15G(0.7764) H604(0.9687)
 H652(0.8923) H653(0.8717) H654(0.7789) H655(0.7134) H656(0.7199) H50D(0.2871)
 H50E(0.2722) H50F(0.1071) H50G(0.1539) H50H(-0.0042) H50I(0.0665) H50J(0.1528)
 H50K(0.0759) H51E(0.2818) H51F(0.2999) H51A(0.1475) H51B(0.1197) H51C(0.0635)
 H51D(0.0153) H51G(0.1204) H51H(0.1605) H19A(0.3971) H19B(0.5086) H19C(0.4565)
 H19D(0.5751) H19E(0.5707) H19F(0.4773) H19G(0.3667) H19H(0.4638) H29P(0.4996)
 H29Q(0.5281) H29R(0.5143) H29S(0.587) H29T(0.4322) H29U(0.3952) H29V(0.2919)
 H29W(0.2851)
 Fixed Y: H2A(0.923) H4A(0.7148) H12A(1.0433) H13A(1.193) H14A(1.2296)
 H15A(1.1136) H16A(0.9643) H26A(0.7807) H26B(0.8765) H26C(0.7878) H27A(0.8704)
 H27B(0.9037) H27C(0.9339) H28A(0.6744) H28B(0.6632) H28C(0.7744) H29A(0.4682)
 H29B(0.4955) H29C(0.5314) H30A(0.532) H30B(0.6204) H30C(0.5356) H46A(0.8675)
 H46B(0.9378) H46C(0.8939) H47A(0.8189) H47B(0.8198) H47C(0.9054) H48A(0.5691)
 H48B(0.5571) H48C(0.6547) H49A(0.4663) H49B(0.5208) H49C(0.4968) H50A(0.6535)
 H50B(0.7547) H50C(0.6451) H32A(0.6041) H33A(0.5563) H34A(0.6722) H35A(0.8365)
 H36A(0.8849) H52A(0.7121) H53A(0.6801) H55A(0.7004) H56A(0.7373) H10A(0.0497)
 H11A(-0.0148) H11B(-0.0669) H13B(0.1571) H13C(0.1074) H13D(-0.0156)
 H13E(0.0296) H20A(0.0755) H20B(-0.0205) H20C(0.0964) H20D(0.1064) H20E(0.2913)
 H20F(0.2739) H20G(0.4518) H20H(0.4173) H20I(0.5323) H20J(0.554) H20K(0.4624)
 H20L(0.5694) H20M(0.507) H20N(0.3976) H20O(0.3889) H20P(0.4208) H20Q(0.2577)
 H20R(0.2292) H21A(0.0848) H21B(0.0758) H21C(-0.0326) H21D(-0.0281) H22A(-
 0.0618) H22B(0.0463) H21E(-0.1951) H21F(-0.074) H21G(-0.1288) H21H(-0.0788)
 H21I(0.0314) H21J(0.0033) H21K(-0.081) H21L(-0.0066) H21M(0.0329) H21N(-
 0.2104) H21O(-0.147) H21P(-0.0916) H22C(-0.2775) H22D(-0.1845) H22E(-0.1855)
 H23A(0.078) H23B(0.137) H23C(-0.0068) H23D(0.0269) H23E(0.0973) H23F(0.1262)
 H23G(0.2704) H23H(0.2611) H23I(0.5146) H23J(0.4902) H23K(0.4909) H23L(0.4344)
 H23M(0.2804) H23N(0.3362) H23O(0.2371) H23P(0.3332) H27D(0.4926) H27E(0.4558)
 H27F(0.3664) H27G(0.3646) H27H(0.2395) H27I(0.2694) H27X(0.5142) H27J(0.5137)
 H30D(0.2543) H30E(0.2681) H30F(0.3281) H30G(0.2114) H30H(0.2233) H30I(0.3404)
 H30J(0.3024) H30K(0.2804) H30L(0.4208) H30M(0.4364) H30N(0.6041) H30O(0.5934)
 H30P(0.731) H30Q(0.7417) H30R(0.7969) H30S(0.6827) H30T(0.6602) H30U(0.777)
 H31A(0.7182) H31B(0.6949) H31C(0.5476) H31D(0.5717) H31E(0.3944) H31F(0.3856)
 H11C(-0.0208) H11D(0.0765) H11E(0.1326) H54A(0.6701) H13F(0.0229) H10B(0.276)
 H152(0.4447) H15D(0.6172) H15E(0.6488) H15F(0.5134) H15G(0.344) H604(0.2278)
 H652(0.3538) H653(0.5301) H654(0.6402) H655(0.5852) H656(0.4077) H50D(0.6621)
 H50E(0.5399) H50F(0.5471) H50G(0.6528) H50H(0.6423) H50I(0.7455) H50J(0.7289)
 H50K(0.6316) H51E(0.7274) H51F(0.7304) H51A(0.7897) H51B(0.7573) H51C(0.6548)
 H51D(0.6375) H51G(0.4977) H51H(0.509) H19A(0.4659) H19B(0.4799) H19C(0.3317)
 H19D(0.3674) H19E(0.2453) H19F(0.1872) H19G(0.2278) H19H(0.2541) H29P(0.4264)
 H29Q(0.3992) H29R(0.26) H29S(0.25) H29T(0.1959) H29U(0.1433) H29V(0.2538)
 H29W(0.2534)
 Fixed Z: H2A(0.9205) H4A(0.9209) H12A(0.8914) H13A(0.8649) H14A(0.7995)
 H15A(0.7608) H16A(0.7874) H26A(0.7753) H26B(0.7971) H26C(0.7714) H27A(0.8749)
 H27B(0.9067) H27C(0.8613) H28A(0.9399) H28B(0.9525) H28C(0.9514) H29A(0.8839)
 H29B(0.8694) H29C(0.9143) H30A(0.7823) H30B(0.7735) H30C(0.8029) H46A(0.8194)
 H46B(0.8479) H46C(0.8039) H47A(0.923) H47B(0.9472) H47C(0.917) H48A(0.9323)
 H48B(0.9281) H48C(0.9537) H49A(0.8351) H49B(0.8182) H49C(0.8645) H50A(0.7643)
 H50B(0.769) H50C(0.7718) H32A(0.9524) H33A(1.0167) H34A(1.0636) H35A(1.0454)
 H36A(0.9805) H52A(0.7866) H53A(0.7627) H55A(0.8773) H56A(0.9019) H10A(0.585)
 H11A(0.6144) H11B(0.6431) H13B(0.5493) H13C(0.4829) H13D(0.4576) H13E(0.5238)
 H20A(0.8878) H20B(0.9089) H20C(0.9586) H20D(0.9598) H20E(0.9799) H20F(0.9922)
 H20G(0.9823) H20H(0.9356) H20I(0.9216) H20J(0.968) H20K(0.9506) H20L(0.931)
 H20M(0.8763) H20N(0.894) H20O(0.8209) H20P(0.8171) H20Q(0.78) H20R(0.7806)
 H21A(0.8172) H21B(0.7734) H21C(0.7956) H21D(0.8395) H22A(0.8428) H22B(0.8255)
 H21E(0.7134) H21F(0.7245) H21G(0.6951) H21H(0.7166) H21I(0.6997) H21J(0.727)
 H21K(0.6171) H21L(0.5881) H21M(0.634) H21N(0.5511) H21O(0.5421) H21P(0.5442)
 H22C(0.6073) H22D(0.6255) H22E(0.5805) H23A(0.9099) H23B(0.9323) H23C(0.9631)
 H23D(0.9787) H23E(1.0115) H23F(1.0287) H23G(0.9965) H23H(0.9955) H23I(0.8433)
 H23J(0.838) H23K(0.7757) H23L(0.7725) H23M(0.7711) H23N(0.7698) H23O(0.8312)
 H23P(0.8368) H27D(0.8342) H27E(0.7872) H27F(0.7701) H27G(0.8177) H27H(0.8141)
 H27I(0.7718) H27X(0.7807) H27J(0.8283) H30D(0.564) H30E(0.5165) H30F(0.5212)
 H30G(0.5316) H30H(0.571) H30I(0.5621) H30J(0.6254) H30K(0.6418) H30L(0.6946)
 H30M(0.68) H30N(0.6621) H30O(0.7097) H30P(0.7179) H30Q(0.6702) H30R(0.7026)
 H30S(0.7153) H30T(0.6747) H30U(0.6649) H31A(0.5946) H31B(0.6132) H31C(0.5664)
 H31D(0.544) H31E(0.5335) H31F(0.5808) H11C(0.7117) H11D(0.751) H11E(0.7225)
 H54A(0.808) H13F(0.4361) H10B(0.5863) H152(0.6094) H15D(0.6404) H15E(0.7097)
 H15F(0.7507) H15G(0.7221) H604(0.6911) H652(0.7297) H653(0.7549) H654(0.7154)
 H655(0.6509) H656(0.6272) H50D(0.5134) H50E(0.5056) H50F(0.4844) H50G(0.4699)
 H50H(0.5203) H50I(0.516) H50J(0.5763) H50K(0.5823) H51E(0.5793) H51F(0.532)
 H51A(0.529) H51B(0.573) H51C(0.4995) H51D(0.5427) H51G(0.5485) H51H(0.5035)
 H19A(0.7162) H19B(0.6942) H19C(0.7476) H19D(0.7349) H19E(0.6765) H19F(0.6984)
 H19G(0.6612) H19H(0.6332) H29P(0.7141) H29Q(0.6677) H29R(0.7289) H29S(0.6893)
 H29T(0.6442) H29U(0.6835) H29V(0.6994) H29W(0.6512)
;
_olex2_submission_special_instructions 'No special instructions were received'