#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:50:43 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179131 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/93/4309303.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4309303
loop_
_publ_author_name
'Neeladri Das'
'Atta M. Arif'
'Peter J. Stang'
'Monika Sieger'
'Biprajit Sarkar'
'Wolfgang Kaim'
'Jan Fiedler'
_publ_section_title
;
Self-Assembly of Heterobimetallic Neutral Macrocycles Incorporating
Ferrocene Spacer Groups: Spectroelectrochemical Analysis of the Double
Two-Electron Oxidation of a Molecular Rectangle
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5798
_journal_page_last               5804
_journal_paper_doi               10.1021/ic0481834
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C100 H152 Fe2 O8 P8 Pt4,3(C H2 Cl2)'
_chemical_formula_sum            'C103 H158 Cl6 Fe2 O8 P8 Pt4'
_chemical_formula_weight         2876.81
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.9492(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   40.0355(12)
_cell_length_b                   10.4098(2)
_cell_length_c                   30.4252(9)
_cell_measurement_reflns_used    10761
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      1.018
_cell_volume                     11676.4(5)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'WinGX, Ortep3'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      150(1)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Nonius KappaCCD Diffractometer'
_diffrn_measurement_method       'Phi plus Omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_sigmaI/netI    0.0843
_diffrn_reflns_limit_h_max       51
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            22379
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.84
_exptl_absorpt_coefficient_mu    5.312
_exptl_absorpt_correction_T_max  0.5451
_exptl_absorpt_correction_T_min  0.2731
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5704
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         2.172
_refine_diff_density_min         -1.266
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         13292
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.1018
_refine_ls_R_factor_gt           0.0571
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0579P)²+97.9901P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1250
_refine_ls_wR_factor_ref         0.1463
_reflns_number_gt                8979
_reflns_number_total             13292
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0481834si20041223_044918.cif
_cod_data_source_block           pjs216
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4309303
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.590745(9) 0.98652(3) 0.390262(12) 0.03471(10) Uani 1 1 d . A .
Pt2 Pt 0.644354(9) 1.08478(3) 0.576457(12) 0.03464(10) Uani 1 1 d . . .
Fe1 Fe 0.72173(4) 0.70547(12) 0.39499(5) 0.0416(3) Uani 1 1 d . A .
P1 P 0.61136(8) 1.1267(3) 0.34764(10) 0.0475(6) Uani 1 1 d . . .
P2 P 0.56600(10) 0.8243(3) 0.41848(16) 0.0791(12) Uani 1 1 d D . .
P3 P 0.67636(7) 1.1955(3) 0.54046(11) 0.0506(7) Uani 1 1 d . . .
P4 P 0.61802(7) 0.9877(2) 0.62311(9) 0.0433(6) Uani 1 1 d . . .
O1 O 0.81790(16) 0.5696(5) 0.4121(2) 0.0395(14) Uani 1 1 d . . .
O2 O 0.7754(2) 0.4922(7) 0.3458(3) 0.070(2) Uani 1 1 d . . .
O3 O 0.63688(16) 0.8665(6) 0.4032(2) 0.0405(14) Uani 1 1 d . . .
O4 O 0.6172(2) 0.7592(7) 0.3337(2) 0.062(2) Uani 1 1 d . . .
C1 C 0.7873(3) 0.5737(9) 0.3769(3) 0.040(2) Uani 1 1 d . . .
C2 C 0.7652(3) 0.6911(8) 0.3751(3) 0.039(2) Uani 1 1 d . . .
C3 C 0.7334(3) 0.7291(11) 0.3363(4) 0.060(3) Uani 1 1 d . . .
H3 H 0.7223 0.6837 0.3071 0.072 Uiso 1 1 calc R . .
C4 C 0.7207(3) 0.8454(11) 0.3481(4) 0.063(3) Uani 1 1 d . . .
H4 H 0.6999 0.8922 0.3284 0.076 Uiso 1 1 calc R . .
C5 C 0.7450(3) 0.8790(10) 0.3945(4) 0.054(3) Uani 1 1 d . . .
H5 H 0.7430 0.9534 0.4115 0.065 Uiso 1 1 calc R . .
C6 C 0.7727(3) 0.7851(9) 0.4122(4) 0.049(2) Uani 1 1 d . . .
H6 H 0.7924 0.7845 0.4425 0.058 Uiso 1 1 calc R . .
C7 C 0.6983(3) 0.7066(11) 0.4443(4) 0.054(3) Uani 1 1 d . A .
H7 H 0.6998 0.7741 0.4660 0.064 Uiso 1 1 calc R . .
C8 C 0.7228(3) 0.6026(11) 0.4533(4) 0.064(3) Uani 1 1 d . . .
H8 H 0.7433 0.5873 0.4820 0.077 Uiso 1 1 calc R . .
C9 C 0.7109(3) 0.5257(10) 0.4118(4) 0.057(3) Uani 1 1 d . . .
H9 H 0.7223 0.4489 0.4079 0.068 Uiso 1 1 calc R . .
C10 C 0.6792(3) 0.5811(9) 0.3766(4) 0.052(3) Uani 1 1 d . A .
H10 H 0.6660 0.5495 0.3453 0.063 Uiso 1 1 calc R . .
C11 C 0.6711(2) 0.6941(8) 0.3976(3) 0.040(2) Uani 1 1 d . . .
C12 C 0.6389(3) 0.7794(8) 0.3745(3) 0.039(2) Uani 1 1 d . A .
C13 C 0.5502(2) 1.1076(8) 0.3853(3) 0.037(2) Uani 1 1 d . . .
C14 C 0.5218(3) 1.1269(9) 0.3440(3) 0.046(2) Uani 1 1 d . A .
H14 H 0.5194 1.0733 0.3177 0.055 Uiso 1 1 calc R . .
C15 C 0.4951(3) 1.2227(10) 0.3374(4) 0.054(3) Uani 1 1 d . . .
H15 H 0.4755 1.2312 0.3073 0.065 Uiso 1 1 calc R A .
C16 C 0.4973(3) 1.3028(9) 0.3739(3) 0.045(2) Uani 1 1 d . A .
H16 H 0.4800 1.3695 0.3688 0.054 Uiso 1 1 calc R . .
C17 C 0.5256(2) 1.2860(8) 0.4197(3) 0.040(2) Uani 1 1 d . . .
C18 C 0.5285(2) 1.3660(8) 0.4569(3) 0.039(2) Uani 1 1 d . A .
H18 H 0.5114 1.4336 0.4512 0.047 Uiso 1 1 calc R . .
C19 C 0.5556(3) 1.3525(8) 0.5029(3) 0.039(2) Uani 1 1 d . . .
C20 C 0.5592(3) 1.4413(9) 0.5397(4) 0.046(2) Uani 1 1 d . A .
H20 H 0.5434 1.5130 0.5334 0.055 Uiso 1 1 calc R . .
C21 C 0.5850(3) 1.4242(9) 0.5833(4) 0.054(3) Uani 1 1 d . . .
H21 H 0.5873 1.4842 0.6078 0.065 Uiso 1 1 calc R A .
C22 C 0.6092(3) 1.3165(9) 0.5935(3) 0.049(2) Uani 1 1 d . A .
H22 H 0.6272 1.3070 0.6248 0.059 Uiso 1 1 calc R . .
C23 C 0.6072(3) 1.2273(8) 0.5597(3) 0.038(2) Uani 1 1 d . . .
C24 C 0.5799(2) 1.2449(8) 0.5122(3) 0.0344(19) Uani 1 1 d . A .
C25 C 0.5772(2) 1.1655(8) 0.4736(3) 0.0333(19) Uani 1 1 d . . .
H25 H 0.5936 1.0954 0.4795 0.040 Uiso 1 1 calc R A .
C26 C 0.5513(2) 1.1847(8) 0.4262(3) 0.0333(19) Uani 1 1 d . A .
C27 C 0.5803(5) 1.1458(14) 0.2864(6) 0.037(4) Uani 0.50 1 d PD A 1
H27A H 0.5589 1.1958 0.2853 0.045 Uiso 0.50 1 calc PR A 1
H27B H 0.5923 1.1943 0.2687 0.045 Uiso 0.50 1 calc PR A 1
C28 C 0.5672(4) 1.0086(12) 0.2614(4) 0.087(5) Uani 1 1 d D . .
H28A H 0.5504 1.0213 0.2282 0.130 Uiso 0.50 1 calc PR A 1
H28B H 0.5550 0.9611 0.2787 0.130 Uiso 0.50 1 calc PR A 1
H28C H 0.5883 0.9597 0.2621 0.130 Uiso 0.50 1 calc PR A 1
H28D H 0.5663 0.9681 0.2326 0.130 Uiso 0.50 1 d PR A 2
H28E H 0.5532 1.0863 0.2536 0.130 Uiso 0.50 1 d PR A 2
H28F H 0.5575 0.9515 0.2782 0.130 Uiso 0.50 1 d PR A 2
C29 C 0.6540(6) 1.071(2) 0.3434(7) 0.040(5) Uani 0.50 1 d P A 1
H29A H 0.6705 1.0392 0.3751 0.048 Uiso 0.50 1 calc PR A 1
H29B H 0.6484 0.9983 0.3208 0.048 Uiso 0.50 1 calc PR A 1
C30 C 0.6743(4) 1.1757(18) 0.3268(7) 0.125(7) Uani 1 1 d . . .
H30A H 0.6964 1.1388 0.3255 0.187 Uiso 0.50 1 calc PR A 1
H30B H 0.6807 1.2475 0.3494 0.187 Uiso 0.50 1 calc PR A 1
H30C H 0.6585 1.2067 0.2951 0.187 Uiso 0.50 1 calc PR A 1
H30D H 0.7003 1.1780 0.3403 0.187 Uiso 0.50 1 d PR A 2
H30E H 0.6650 1.2586 0.3139 0.187 Uiso 0.50 1 d PR A 2
H30F H 0.6661 1.1126 0.3019 0.187 Uiso 0.50 1 d PR A 2
C31 C 0.6239(6) 1.2990(16) 0.3695(7) 0.043(5) Uani 0.50 1 d P A 1
H31A H 0.6428 1.2958 0.4023 0.051 Uiso 0.50 1 calc PR A 1
H31B H 0.6348 1.3406 0.3490 0.051 Uiso 0.50 1 calc PR A 1
C27' C 0.6022(9) 1.047(4) 0.2869(11) 0.121(13) Uani 0.50 1 d P A 2
H27C H 0.6092 1.1081 0.2671 0.145 Uiso 0.50 1 calc PR A 2
H27D H 0.6182 0.9710 0.2924 0.145 Uiso 0.50 1 calc PR A 2
C29' C 0.6595(8) 1.136(3) 0.3667(11) 0.086(9) Uani 0.50 1 d P A 2
H29C H 0.6687 1.1987 0.3931 0.103 Uiso 0.50 1 calc PR A 2
H29D H 0.6698 1.0510 0.3797 0.103 Uiso 0.50 1 calc PR A 2
C31' C 0.5897(8) 1.274(3) 0.3255(11) 0.099(10) Uani 0.50 1 d P A 2
H31C H 0.5999 1.3114 0.3036 0.118 Uiso 0.50 1 calc PR A 2
H31D H 0.5635 1.2581 0.3071 0.118 Uiso 0.50 1 calc PR A 2
C32 C 0.5948(4) 1.3786(11) 0.3700(5) 0.070(3) Uani 1 1 d . . .
H32A H 0.6042 1.4643 0.3818 0.104 Uiso 0.50 1 calc PR A 1
H32B H 0.5841 1.3403 0.3910 0.104 Uiso 0.50 1 calc PR A 1
H32C H 0.5762 1.3855 0.3375 0.104 Uiso 0.50 1 calc PR A 1
H32D H 0.5838 1.4594 0.3572 0.104 Uiso 0.50 1 d PR A 2
H32E H 0.6199 1.3918 0.3899 0.104 Uiso 0.50 1 d PR A 2
H32F H 0.5826 1.3414 0.3885 0.104 Uiso 0.50 1 d PR A 2
C33 C 0.5261(3) 0.8593(9) 0.4278(4) 0.050(2) Uani 1 1 d . A .
H33A H 0.5320 0.9269 0.4525 0.060 Uiso 1 1 calc R . .
H33B H 0.5083 0.8964 0.3978 0.060 Uiso 1 1 calc R . .
C34 C 0.5073(3) 0.7488(10) 0.4427(5) 0.069(3) Uani 1 1 d . . .
H34A H 0.4857 0.7815 0.4466 0.103 Uiso 1 1 calc R A .
H34B H 0.5241 0.7126 0.4731 0.103 Uiso 1 1 calc R . .
H34C H 0.5003 0.6819 0.4181 0.103 Uiso 1 1 calc R . .
C35 C 0.5427(9) 0.726(2) 0.3612(8) 0.074(11) Uani 0.50 1 d PD A 1
H35A H 0.5624 0.6931 0.3522 0.089 Uiso 0.50 1 calc PR A 1
H35B H 0.5320 0.6503 0.3703 0.089 Uiso 0.50 1 calc PR A 1
C36 C 0.5129(7) 0.780(2) 0.3143(7) 0.073(8) Uani 0.50 1 d PD A 1
H36A H 0.5044 0.7106 0.2906 0.110 Uiso 0.50 1 calc PR A 1
H36B H 0.5231 0.8492 0.3017 0.110 Uiso 0.50 1 calc PR A 1
H36C H 0.4925 0.8125 0.3212 0.110 Uiso 0.50 1 calc PR A 1
C37 C 0.5936(5) 0.7069(15) 0.4544(6) 0.051(5) Uani 0.50 1 d PD A 1
H37A H 0.5776 0.6460 0.4621 0.061 Uiso 0.50 1 calc PR A 1
H37B H 0.6041 0.6592 0.4347 0.061 Uiso 0.50 1 calc PR A 1
C38 C 0.6257(5) 0.741(2) 0.5027(7) 0.161(8) Uiso 1 1 d D . .
H38A H 0.6160 0.7770 0.5250 0.242 Uiso 0.50 1 calc PR A 1
H38B H 0.6416 0.8043 0.4968 0.242 Uiso 0.50 1 calc PR A 1
H38C H 0.6396 0.6631 0.5164 0.242 Uiso 0.50 1 calc PR A 1
H38D H 0.6360 0.7429 0.5377 0.242 Uiso 0.50 1 calc PR A 2
H38E H 0.6421 0.7851 0.4907 0.242 Uiso 0.50 1 calc PR A 2
H38F H 0.6226 0.6517 0.4917 0.242 Uiso 0.50 1 calc PR A 2
C35' C 0.5680(5) 0.6656(16) 0.4005(7) 0.059(6) Uani 0.50 1 d PD A 2
H35C H 0.5924 0.6415 0.4025 0.070 Uiso 0.50 1 calc PR A 2
H35D H 0.5594 0.6029 0.4182 0.070 Uiso 0.50 1 calc PR A 2
C36' C 0.5405(7) 0.6841(19) 0.3481(7) 0.043(6) Uani 0.50 1 d PD A 2
H36D H 0.5376 0.6029 0.3308 0.064 Uiso 0.50 1 calc PR A 2
H36E H 0.5496 0.7501 0.3326 0.064 Uiso 0.50 1 calc PR A 2
H36F H 0.5170 0.7111 0.3480 0.064 Uiso 0.50 1 calc PR A 2
C37' C 0.5923(7) 0.803(3) 0.4857(6) 0.091(9) Uiso 0.50 1 d PD A 2
H37C H 0.5960 0.8891 0.5003 0.136 Uiso 0.50 1 calc PR A 2
H37D H 0.5763 0.7550 0.4980 0.136 Uiso 0.50 1 calc PR A 2
C39 C 0.6874(4) 1.0778(13) 0.4983(5) 0.087(5) Uani 1 1 d . . .
H39A H 0.6971 0.9972 0.5160 0.105 Uiso 1 1 calc R . .
H39B H 0.6645 1.0563 0.4712 0.105 Uiso 1 1 calc R . .
C40 C 0.7142(4) 1.1267(15) 0.4784(5) 0.094(5) Uani 1 1 d . . .
H40A H 0.7179 1.0613 0.4575 0.142 Uiso 1 1 calc R . .
H40B H 0.7374 1.1450 0.5048 0.142 Uiso 1 1 calc R . .
H40C H 0.7048 1.2054 0.4601 0.142 Uiso 1 1 calc R . .
C41 C 0.7183(4) 1.2514(13) 0.5833(5) 0.084(4) Uani 1 1 d . . .
H41A H 0.7341 1.1770 0.5983 0.100 Uiso 1 1 calc R . .
H41B H 0.7308 1.3042 0.5672 0.100 Uiso 1 1 calc R . .
C42 C 0.7129(4) 1.3290(15) 0.6208(5) 0.095(5) Uani 1 1 d . . .
H42A H 0.7365 1.3597 0.6435 0.143 Uiso 1 1 calc R . .
H42B H 0.7014 1.2760 0.6375 0.143 Uiso 1 1 calc R . .
H42C H 0.6973 1.4026 0.6060 0.143 Uiso 1 1 calc R . .
C43 C 0.6555(3) 1.3338(11) 0.5028(5) 0.073(4) Uani 1 1 d . . .
H43A H 0.6426 1.3000 0.4701 0.088 Uiso 1 1 calc R . .
H43B H 0.6365 1.3657 0.5134 0.088 Uiso 1 1 calc R . .
C44 C 0.6737(7) 1.4364(15) 0.4987(7) 0.221(16) Uani 1 1 d . . .
H44A H 0.6569 1.4989 0.4773 0.331 Uiso 1 1 calc R . .
H44B H 0.6915 1.4107 0.4856 0.331 Uiso 1 1 calc R . .
H44C H 0.6863 1.4754 0.5302 0.331 Uiso 1 1 calc R . .
C45 C 0.5687(3) 0.9947(11) 0.6043(4) 0.055(3) Uani 1 1 d . . .
H45A H 0.5621 0.9535 0.6291 0.066 Uiso 1 1 calc R . .
H45B H 0.5612 1.0859 0.6021 0.066 Uiso 1 1 calc R . .
C46 C 0.5481(3) 0.9314(13) 0.5577(4) 0.073(3) Uani 1 1 d . . .
H46A H 0.5221 0.9382 0.5502 0.109 Uiso 1 1 calc R . .
H46B H 0.5550 0.8407 0.5595 0.109 Uiso 1 1 calc R . .
H46C H 0.5537 0.9737 0.5326 0.109 Uiso 1 1 calc R . .
C47 C 0.6321(4) 1.0655(12) 0.6819(4) 0.064(3) Uani 1 1 d . . .
H47A H 0.6219 1.1534 0.6772 0.077 Uiso 1 1 calc R . .
H47B H 0.6214 1.0174 0.7012 0.077 Uiso 1 1 calc R . .
C48 C 0.6717(4) 1.0746(15) 0.7093(4) 0.088(4) Uani 1 1 d . . .
H48A H 0.6764 1.1162 0.7400 0.132 Uiso 1 1 calc R . .
H48B H 0.6826 1.1254 0.6913 0.132 Uiso 1 1 calc R . .
H48C H 0.6822 0.9882 0.7148 0.132 Uiso 1 1 calc R . .
C49 C 0.6295(3) 0.8183(9) 0.6354(4) 0.053(3) Uani 1 1 d . . .
H49A H 0.6216 0.7726 0.6044 0.063 Uiso 1 1 calc R . .
H49B H 0.6562 0.8110 0.6508 0.063 Uiso 1 1 calc R . .
C50 C 0.6134(3) 0.7486(11) 0.6666(4) 0.066(3) Uani 1 1 d . . .
H50A H 0.6216 0.6591 0.6708 0.100 Uiso 1 1 calc R . .
H50B H 0.5868 0.7512 0.6512 0.100 Uiso 1 1 calc R . .
H50C H 0.6214 0.7908 0.6978 0.100 Uiso 1 1 calc R . .
Cl1 Cl 0.72160(16) 1.2538(5) 0.24650(19) 0.0592(14) Uani 0.50 1 d P . .
Cl2 Cl 0.6898(2) 1.5152(9) 0.2154(3) 0.127(4) Uani 0.50 1 d P . .
C51 C 0.7262(8) 1.421(3) 0.2368(10) 0.085(8) Uiso 0.50 1 d P . .
H51A H 0.7426 1.4585 0.2677 0.102 Uiso 0.50 1 calc PR . .
H51B H 0.7389 1.4284 0.2148 0.102 Uiso 0.50 1 calc PR . .
Cl3 Cl 0.5423(3) 0.5126(12) 0.2417(3) 0.077(3) Uani 0.50 1 d P B 1
Cl4 Cl 0.5618(3) 0.7179(10) 0.1892(4) 0.093(3) Uani 0.50 1 d P B 1
Cl5 Cl 0.6127(7) 0.4881(18) 0.2475(8) 0.104(7) Uani 0.25 1 d P C 3
Cl3' Cl 0.5581(10) 0.491(2) 0.2385(11) 0.152(16) Uani 0.25 1 d P D 2
Cl4' Cl 0.5740(8) 0.6495(19) 0.1877(8) 0.110(8) Uani 0.25 1 d P E 2
Cl5' Cl 0.6198(6) 0.565(2) 0.2359(6) 0.103(7) Uani 0.25 1 d P C 3
C52 C 0.5788(5) 0.612(2) 0.2422(5) 0.133(8) Uani 1 1 d . B 1
H52A H 0.5989 0.5583 0.2415 0.160 Uiso 1 1 calc R B 1
H52B H 0.5879 0.6647 0.2717 0.160 Uiso 1 1 calc R B 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C13 Pt1 O3 173.7(3) . . ?
C13 Pt1 P2 92.1(3) . . ?
O3 Pt1 P2 88.25(18) . . ?
C13 Pt1 P1 90.9(3) . . ?
O3 Pt1 P1 89.99(18) . . ?
P2 Pt1 P1 168.42(13) . . ?
C23 Pt2 O1 175.2(3) . 7_666 ?
C23 Pt2 P3 90.2(3) . . ?
O1 Pt2 P3 87.97(18) 7_666 . ?
C23 Pt2 P4 90.5(3) . . ?
O1 Pt2 P4 91.96(18) 7_666 . ?
P3 Pt2 P4 171.38(10) . . ?
C3 Fe1 C4 40.7(4) . . ?
C3 Fe1 C9 118.6(5) . . ?
C4 Fe1 C9 153.0(5) . . ?
C3 Fe1 C5 67.9(5) . . ?
C4 Fe1 C5 40.7(4) . . ?
C9 Fe1 C5 164.3(5) . . ?
C3 Fe1 C10 106.8(5) . . ?
C4 Fe1 C10 118.5(5) . . ?
C9 Fe1 C10 41.1(4) . . ?
C5 Fe1 C10 153.9(4) . . ?
C3 Fe1 C7 165.5(4) . . ?
C4 Fe1 C7 128.3(4) . . ?
C9 Fe1 C7 67.6(4) . . ?
C5 Fe1 C7 109.9(4) . . ?
C10 Fe1 C7 68.5(4) . . ?
C3 Fe1 C8 152.5(4) . . ?
C4 Fe1 C8 165.4(5) . . ?
C9 Fe1 C8 40.4(4) . . ?
C5 Fe1 C8 127.7(5) . . ?
C10 Fe1 C8 68.9(5) . . ?
C7 Fe1 C8 40.2(4) . . ?
C3 Fe1 C2 40.5(4) . . ?
C4 Fe1 C2 68.4(4) . . ?
C9 Fe1 C2 107.1(4) . . ?
C5 Fe1 C2 67.7(4) . . ?
C10 Fe1 C2 125.8(4) . . ?
C7 Fe1 C2 153.3(4) . . ?
C8 Fe1 C2 118.7(4) . . ?
C3 Fe1 C11 127.4(4) . . ?
C4 Fe1 C11 108.5(4) . . ?
C9 Fe1 C11 68.2(4) . . ?
C5 Fe1 C11 120.7(4) . . ?
C10 Fe1 C11 41.0(3) . . ?
C7 Fe1 C11 40.3(4) . . ?
C8 Fe1 C11 68.1(4) . . ?
C2 Fe1 C11 164.4(4) . . ?
C3 Fe1 C6 68.4(5) . . ?
C4 Fe1 C6 68.8(4) . . ?
C9 Fe1 C6 126.2(4) . . ?
C5 Fe1 C6 40.4(4) . . ?
C10 Fe1 C6 163.6(4) . . ?
C7 Fe1 C6 119.9(4) . . ?
C8 Fe1 C6 107.6(5) . . ?
C2 Fe1 C6 40.6(4) . . ?
C11 Fe1 C6 154.1(4) . . ?
C31' P1 C29' 112.8(15) . . ?
C31' P1 C27 58.0(12) . . ?
C29' P1 C27 123.5(11) . . ?
C31' P1 C29 125.1(12) . . ?
C29' P1 C29 29.8(11) . . ?
C27 P1 C29 104.2(8) . . ?
C31' P1 C31 48.7(12) . . ?
C29' P1 C31 74.5(14) . . ?
C27 P1 C31 103.7(8) . . ?
C29 P1 C31 101.1(9) . . ?
C31' P1 C27' 97.3(17) . . ?
C29' P1 C27' 96.5(15) . . ?
C27 P1 C27' 42.2(13) . . ?
C29 P1 C27' 68.7(13) . . ?
C31 P1 C27' 131.6(13) . . ?
C31' P1 Pt1 122.2(10) . . ?
C29' P1 Pt1 115.4(9) . . ?
C27 P1 Pt1 113.4(6) . . ?
C29 P1 Pt1 112.5(7) . . ?
C31 P1 Pt1 120.1(6) . . ?
C27' P1 Pt1 106.9(11) . . ?
C37 P2 C35' 55.5(8) . . ?
C37 P2 C33 116.2(8) . . ?
C35' P2 C33 113.4(8) . . ?
C37 P2 C37' 44.7(10) . . ?
C35' P2 C37' 98.6(11) . . ?
C33 P2 C37' 90.5(9) . . ?
C37 P2 C35 99.3(9) . . ?
C35' P2 C35 43.8(10) . . ?
C33 P2 C35 96.1(12) . . ?
C37' P2 C35 141.0(12) . . ?
C37 P2 Pt1 119.8(7) . . ?
C35' P2 Pt1 120.0(8) . . ?
C33 P2 Pt1 117.4(3) . . ?
C37' P2 Pt1 110.5(9) . . ?
C35 P2 Pt1 100.4(11) . . ?
C41 P3 C43 105.9(6) . . ?
C41 P3 C39 107.3(7) . . ?
C43 P3 C39 104.4(6) . . ?
C41 P3 Pt2 111.0(5) . . ?
C43 P3 Pt2 119.4(4) . . ?
C39 P3 Pt2 108.2(4) . . ?
C49 P4 C45 104.9(5) . . ?
C49 P4 C47 105.6(5) . . ?
C45 P4 C47 99.9(5) . . ?
C49 P4 Pt2 114.3(3) . . ?
C45 P4 Pt2 119.1(3) . . ?
C47 P4 Pt2 111.4(4) . . ?
C1 O1 Pt2 123.3(6) . 7_666 ?
C12 O3 Pt1 124.7(6) . . ?
O2 C1 O1 125.7(9) . . ?
O2 C1 C2 119.5(9) . . ?
O1 C1 C2 114.7(8) . . ?
C3 C2 C6 108.1(8) . . ?
C3 C2 C1 125.9(9) . . ?
C6 C2 C1 126.1(8) . . ?
C3 C2 Fe1 68.6(6) . . ?
C6 C2 Fe1 70.2(5) . . ?
C1 C2 Fe1 127.1(6) . . ?
C4 C3 C2 109.0(10) . . ?
C4 C3 Fe1 69.7(6) . . ?
C2 C3 Fe1 71.0(6) . . ?
C4 C3 H3 125.5 . . ?
C2 C3 H3 125.5 . . ?
Fe1 C3 H3 125.4 . . ?
C3 C4 C5 106.9(9) . . ?
C3 C4 Fe1 69.6(6) . . ?
C5 C4 Fe1 69.9(6) . . ?
C3 C4 H4 126.5 . . ?
C5 C4 H4 126.5 . . ?
Fe1 C4 H4 125.6 . . ?
C4 C5 C6 109.8(9) . . ?
C4 C5 Fe1 69.5(6) . . ?
C6 C5 Fe1 71.2(6) . . ?
C4 C5 H5 125.1 . . ?
C6 C5 H5 125.1 . . ?
Fe1 C5 H5 125.8 . . ?
C5 C6 C2 106.2(9) . . ?
C5 C6 Fe1 68.3(6) . . ?
C2 C6 Fe1 69.2(6) . . ?
C5 C6 H6 126.9 . . ?
C2 C6 H6 126.9 . . ?
Fe1 C6 H6 127.1 . . ?
C8 C7 C11 109.1(10) . . ?
C8 C7 Fe1 70.0(6) . . ?
C11 C7 Fe1 70.1(6) . . ?
C8 C7 H7 125.4 . . ?
C11 C7 H7 125.4 . . ?
Fe1 C7 H7 126.0 . . ?
C9 C8 C7 107.2(10) . . ?
C9 C8 Fe1 68.7(6) . . ?
C7 C8 Fe1 69.8(6) . . ?
C9 C8 H8 126.4 . . ?
C7 C8 H8 126.4 . . ?
Fe1 C8 H8 126.6 . . ?
C8 C9 C10 109.4(9) . . ?
C8 C9 Fe1 70.9(6) . . ?
C10 C9 Fe1 69.6(6) . . ?
C8 C9 H9 125.3 . . ?
C10 C9 H9 125.3 . . ?
Fe1 C9 H9 125.8 . . ?
C9 C10 C11 106.7(9) . . ?
C9 C10 Fe1 69.3(6) . . ?
C11 C10 Fe1 70.6(6) . . ?
C9 C10 H10 126.6 . . ?
C11 C10 H10 126.6 . . ?
Fe1 C10 H10 125.1 . . ?
C7 C11 C10 107.6(9) . . ?
C7 C11 C12 126.9(8) . . ?
C10 C11 C12 125.5(9) . . ?
C7 C11 Fe1 69.6(6) . . ?
C10 C11 Fe1 68.4(6) . . ?
C12 C11 Fe1 128.8(7) . . ?
O4 C12 O3 127.0(8) . . ?
O4 C12 C11 121.1(8) . . ?
O3 C12 C11 111.9(8) . . ?
C14 C13 C26 116.5(8) . . ?
C14 C13 Pt1 121.9(7) . . ?
C26 C13 Pt1 121.5(6) . . ?
C13 C14 C15 123.7(9) . . ?
C13 C14 H14 118.1 . . ?
C15 C14 H14 118.1 . . ?
C16 C15 C14 120.6(9) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C15 C16 C17 119.8(9) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C18 C17 C16 120.7(8) . . ?
C18 C17 C26 120.6(8) . . ?
C16 C17 C26 118.7(8) . . ?
C17 C18 C19 123.0(8) . . ?
C17 C18 H18 118.5 . . ?
C19 C18 H18 118.5 . . ?
C18 C19 C20 121.7(8) . . ?
C18 C19 C24 118.3(8) . . ?
C20 C19 C24 120.0(9) . . ?
C21 C20 C19 119.9(9) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 120.9(9) . . ?
C20 C21 H21 119.6 . . ?
C22 C21 H21 119.6 . . ?
C23 C22 C21 122.2(9) . . ?
C23 C22 H22 118.9 . . ?
C21 C22 H22 118.9 . . ?
C22 C23 C24 117.8(8) . . ?
C22 C23 Pt2 119.3(7) . . ?
C24 C23 Pt2 122.7(6) . . ?
C25 C24 C19 117.9(8) . . ?
C25 C24 C23 122.9(7) . . ?
C19 C24 C23 119.1(8) . . ?
C24 C25 C26 123.5(7) . . ?
C24 C25 H25 118.3 . . ?
C26 C25 H25 118.3 . . ?
C25 C26 C17 116.4(8) . . ?
C25 C26 C13 123.4(7) . . ?
C17 C26 C13 120.3(8) . . ?
C28 C27 P1 110.9(10) . . ?
C28 C27 H27A 109.5 . . ?
P1 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
P1 C27 H27B 109.5 . . ?
H27A C27 H27B 108.0 . . ?
C28 C27 H28E 36.7 . . ?
P1 C27 H28E 140.2 . . ?
H27A C27 H28E 77.0 . . ?
H27B C27 H28E 105.1 . . ?
C27' C28 C27 53.1(19) . . ?
C27' C28 H28A 133.3 . . ?
C27 C28 H28A 109.5 . . ?
C27' C28 H28B 117.2 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27' C28 H28C 57.1 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27' C28 H28D 108.3 . . ?
C27 C28 H28D 135.4 . . ?
H28A C28 H28D 49.7 . . ?
H28B C28 H28D 114.7 . . ?
H28C C28 H28D 61.1 . . ?
C27' C28 H28E 105.4 . . ?
C27 C28 H28E 54.5 . . ?
H28A C28 H28E 61.9 . . ?
H28B C28 H28E 101.0 . . ?
H28C C28 H28E 149.2 . . ?
H28D C28 H28E 109.5 . . ?
C27' C28 H28F 114.6 . . ?
C27 C28 H28F 115.1 . . ?
H28A C28 H28F 111.8 . . ?
H28B C28 H28F 8.5 . . ?
H28C C28 H28F 101.1 . . ?
H28D C28 H28F 109.5 . . ?
H28E C28 H28F 109.5 . . ?
C30 C29 P1 114.6(13) . . ?
C30 C29 H29A 108.6 . . ?
P1 C29 H29A 108.6 . . ?
C30 C29 H29B 108.6 . . ?
P1 C29 H29B 108.6 . . ?
H29A C29 H29B 107.6 . . ?
C30 C29 H30F 35.7 . . ?
P1 C29 H30F 123.3 . . ?
H29A C29 H30F 125.2 . . ?
H29B C29 H30F 73.3 . . ?
C29 C30 C29' 34.6(13) . . ?
C29 C30 H30A 109.5 . . ?
C29' C30 H30A 122.5 . . ?
C29 C30 H30B 109.5 . . ?
C29' C30 H30B 74.9 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
C29' C30 H30C 123.1 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C30 H30D 119.8 . . ?
C29' C30 H30D 110.2 . . ?
H30A C30 H30D 34.9 . . ?
H30B C30 H30D 74.8 . . ?
H30C C30 H30D 125.9 . . ?
C29 C30 H30E 126.4 . . ?
C29' C30 H30E 110.2 . . ?
H30A C30 H30E 123.1 . . ?
H30B C30 H30E 63.6 . . ?
H30C C30 H30E 45.9 . . ?
H30D C30 H30E 109.5 . . ?
C29 C30 H30F 73.6 . . ?
C29' C30 H30F 108.0 . . ?
H30A C30 H30F 74.6 . . ?
H30B C30 H30F 173.0 . . ?
H30C C30 H30F 63.6 . . ?
H30D C30 H30F 109.5 . . ?
H30E C30 H30F 109.5 . . ?
C32 C31 P1 116.2(12) . . ?
C32 C31 H31A 108.2 . . ?
P1 C31 H31A 108.2 . . ?
C32 C31 H31B 108.2 . . ?
P1 C31 H31B 108.2 . . ?
H31A C31 H31B 107.4 . . ?
C32 C31 H32E 41.6 . . ?
P1 C31 H32E 150.6 . . ?
H31A C31 H32E 72.9 . . ?
H31B C31 H32E 99.0 . . ?
C28 C27' P1 116(2) . . ?
C28 C27' H27C 108.2 . . ?
P1 C27' H27C 108.2 . . ?
C28 C27' H27D 108.2 . . ?
P1 C27' H27D 108.2 . . ?
H27C C27' H27D 107.4 . . ?
C30 C29' P1 116.1(18) . . ?
C30 C29' H29C 108.3 . . ?
P1 C29' H29C 108.3 . . ?
C30 C29' H29D 108.3 . . ?
P1 C29' H29D 108.3 . . ?
H29C C29' H29D 107.4 . . ?
C32 C31' P1 111.7(17) . . ?
C32 C31' H31C 109.3 . . ?
P1 C31' H31C 109.3 . . ?
C32 C31' H31D 109.3 . . ?
P1 C31' H31D 109.3 . . ?
H31C C31' H31D 107.9 . . ?
C31 C32 C31' 57.5(13) . . ?
C31 C32 H32A 109.5 . . ?
C31' C32 H32A 142.4 . . ?
C31 C32 H32B 109.5 . . ?
C31' C32 H32B 108.1 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
C31' C32 H32C 55.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C32 H32D 138.5 . . ?
C31' C32 H32D 110.5 . . ?
H32A C32 H32D 53.1 . . ?
H32B C32 H32D 111.9 . . ?
H32C C32 H32D 58.5 . . ?
C31 C32 H32E 55.6 . . ?
C31' C32 H32E 111.7 . . ?
H32A C32 H32E 58.7 . . ?
H32B C32 H32E 105.1 . . ?
H32C C32 H32E 145.4 . . ?
H32D C32 H32E 109.5 . . ?
C31 C32 H32F 112.0 . . ?
C31' C32 H32F 106.2 . . ?
H32A C32 H32F 111.2 . . ?
H32B C32 H32F 4.4 . . ?
H32C C32 H32F 105.1 . . ?
H32D C32 H32F 109.5 . . ?
H32E C32 H32F 109.5 . . ?
C34 C33 P2 118.1(7) . . ?
C34 C33 H33A 107.8 . . ?
P2 C33 H33A 107.8 . . ?
C34 C33 H33B 107.8 . . ?
P2 C33 H33B 107.8 . . ?
H33A C33 H33B 107.1 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 P2 124.5(15) . . ?
C36 C35 H35A 106.2 . . ?
P2 C35 H35A 106.2 . . ?
C36 C35 H35B 106.2 . . ?
P2 C35 H35B 106.2 . . ?
H35A C35 H35B 106.4 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 P2 121.5(13) . . ?
C38 C37 H37A 107.0 . . ?
P2 C37 H37A 107.0 . . ?
C38 C37 H37B 107.0 . . ?
P2 C37 H37B 107.0 . . ?
H37A C37 H37B 106.7 . . ?
C37' C38 C37 55.7(14) . . ?
C37' C38 H38A 59.8 . . ?
C37 C38 H38A 109.5 . . ?
C37' C38 H38B 102.8 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37' C38 H38C 147.6 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37' C38 H38D 109.5 . . ?
C37 C38 H38D 150.0 . . ?
H38A C38 H38D 49.7 . . ?
H38B C38 H38D 99.0 . . ?
H38C C38 H38D 67.9 . . ?
C37' C38 H38E 109.5 . . ?
C37 C38 H38E 100.4 . . ?
H38A C38 H38E 125.7 . . ?
H38B C38 H38E 16.3 . . ?
H38C C38 H38E 101.2 . . ?
H38D C38 H38E 109.5 . . ?
C37' C38 H38F 109.5 . . ?
C37 C38 H38F 61.1 . . ?
H38A C38 H38F 124.5 . . ?
H38B C38 H38F 125.5 . . ?
H38C C38 H38F 48.4 . . ?
H38D C38 H38F 109.5 . . ?
H38E C38 H38F 109.5 . . ?
C36' C35' P2 95.9(11) . . ?
C36' C35' H35C 112.6 . . ?
P2 C35' H35C 112.6 . . ?
C36' C35' H35D 112.6 . . ?
P2 C35' H35D 112.6 . . ?
H35C C35' H35D 110.1 . . ?
C35' C36' H36D 109.5 . . ?
C35' C36' H36E 109.5 . . ?
H36D C36' H36E 109.5 . . ?
C35' C36' H36F 109.5 . . ?
H36D C36' H36F 109.5 . . ?
H36E C36' H36F 109.5 . . ?
C38 C37' P2 120.1(17) . . ?
C38 C37' H37C 107.3 . . ?
P2 C37' H37C 107.3 . . ?
C38 C37' H37D 107.3 . . ?
P2 C37' H37D 107.3 . . ?
H37C C37' H37D 106.9 . . ?
C40 C39 P3 115.5(11) . . ?
C40 C39 H39A 108.4 . . ?
P3 C39 H39A 108.4 . . ?
C40 C39 H39B 108.4 . . ?
P3 C39 H39B 108.4 . . ?
H39A C39 H39B 107.5 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 P3 111.3(11) . . ?
C42 C41 H41A 109.4 . . ?
P3 C41 H41A 109.4 . . ?
C42 C41 H41B 109.4 . . ?
P3 C41 H41B 109.4 . . ?
H41A C41 H41B 108.0 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 P3 123.9(12) . . ?
C44 C43 H43A 106.3 . . ?
P3 C43 H43A 106.3 . . ?
C44 C43 H43B 106.3 . . ?
P3 C43 H43B 106.3 . . ?
H43A C43 H43B 106.4 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 P4 114.2(8) . . ?
C46 C45 H45A 108.7 . . ?
P4 C45 H45A 108.7 . . ?
C46 C45 H45B 108.7 . . ?
P4 C45 H45B 108.7 . . ?
H45A C45 H45B 107.6 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C48 C47 P4 115.7(9) . . ?
C48 C47 H47A 108.4 . . ?
P4 C47 H47A 108.4 . . ?
C48 C47 H47B 108.4 . . ?
P4 C47 H47B 108.4 . . ?
H47A C47 H47B 107.4 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 P4 117.0(8) . . ?
C50 C49 H49A 108.0 . . ?
P4 C49 H49A 108.0 . . ?
C50 C49 H49B 108.0 . . ?
P4 C49 H49B 108.0 . . ?
H49A C49 H49B 107.3 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
Cl2 C51 Cl1 120.4(17) . . ?
Cl2 C51 H51A 107.2 . . ?
Cl1 C51 H51A 107.2 . . ?
Cl2 C51 H51B 107.2 . . ?
Cl1 C51 H51B 107.2 . . ?
H51A C51 H51B 106.9 . . ?
Cl3 C52 Cl4 108.5(9) . . ?
Cl3 C52 H52A 110.0 . . ?
Cl4 C52 H52A 110.0 . . ?
Cl3 C52 H52B 110.0 . . ?
Cl4 C52 H52B 110.0 . . ?
H52A C52 H52B 108.4 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C13 2.013(8) . ?
Pt1 O3 2.136(6) . ?
Pt1 P2 2.287(3) . ?
Pt1 P1 2.308(3) . ?
Pt2 C23 2.020(8) . ?
Pt2 O1 2.139(6) 7_666 ?
Pt2 P3 2.295(3) . ?
Pt2 P4 2.305(3) . ?
Fe1 C3 2.029(11) . ?
Fe1 C4 2.029(11) . ?
Fe1 C9 2.031(11) . ?
Fe1 C5 2.035(11) . ?
Fe1 C10 2.035(11) . ?
Fe1 C7 2.057(11) . ?
Fe1 C8 2.059(11) . ?
Fe1 C2 2.060(9) . ?
Fe1 C11 2.064(9) . ?
Fe1 C6 2.073(10) . ?
P1 C31' 1.76(3) . ?
P1 C29' 1.78(3) . ?
P1 C27 1.803(17) . ?
P1 C29 1.854(19) . ?
P1 C31 1.910(16) . ?
P1 C27' 1.93(3) . ?
P2 C37 1.722(14) . ?
P2 C35' 1.752(15) . ?
P2 C33 1.766(10) . ?
P2 C37' 1.913(17) . ?
P2 C35 1.920(15) . ?
P3 C41 1.777(13) . ?
P3 C43 1.827(11) . ?
P3 C39 1.947(13) . ?
P4 C49 1.824(10) . ?
P4 C45 1.830(11) . ?
P4 C47 1.839(11) . ?
O1 C1 1.276(10) . ?
O1 Pt2 2.139(6) 7_666 ?
O2 C1 1.221(11) . ?
O3 C12 1.282(10) . ?
O4 C12 1.224(11) . ?
C1 C2 1.496(12) . ?
C2 C3 1.414(13) . ?
C2 C6 1.434(13) . ?
C3 C4 1.411(15) . ?
C3 H3 0.9500 . ?
C4 C5 1.412(15) . ?
C4 H4 0.9500 . ?
C5 C6 1.420(13) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.413(14) . ?
C7 C11 1.420(13) . ?
C7 H7 0.9500 . ?
C8 C9 1.413(16) . ?
C8 H8 0.9500 . ?
C9 C10 1.426(14) . ?
C9 H9 0.9500 . ?
C10 C11 1.436(12) . ?
C10 H10 0.9500 . ?
C11 C12 1.494(12) . ?
C13 C14 1.341(12) . ?
C13 C26 1.468(12) . ?
C14 C15 1.418(13) . ?
C14 H14 0.9500 . ?
C15 C16 1.364(13) . ?
C15 H15 0.9500 . ?
C16 C17 1.423(13) . ?
C16 H16 0.9500 . ?
C17 C18 1.372(12) . ?
C17 C26 1.430(11) . ?
C18 C19 1.406(13) . ?
C18 H18 0.9500 . ?
C19 C20 1.413(13) . ?
C19 C24 1.438(11) . ?
C20 C21 1.338(15) . ?
C20 H20 0.9500 . ?
C21 C22 1.435(13) . ?
C21 H21 0.9500 . ?
C22 C23 1.363(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.444(12) . ?
C24 C25 1.405(11) . ?
C25 C26 1.426(12) . ?
C25 H25 0.9500 . ?
C27 C28 1.607(15) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 H28E 1.3091 . ?
C28 C27' 1.37(3) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C28 H28D 0.9598 . ?
C28 H28E 0.9601 . ?
C28 H28F 0.9600 . ?
C29 C30 1.55(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 H30F 1.5789 . ?
C30 C29' 1.60(3) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C30 H30D 0.9599 . ?
C30 H30E 0.9599 . ?
C30 H30F 0.9600 . ?
C31 C32 1.43(2) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 H32E 1.1941 . ?
C27' H27C 0.9900 . ?
C27' H27D 0.9900 . ?
C29' H29C 0.9900 . ?
C29' H29D 0.9900 . ?
C31' C32 1.69(4) . ?
C31' H31C 0.9900 . ?
C31' H31D 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C32 H32D 0.9599 . ?
C32 H32E 0.9599 . ?
C32 H32F 0.9600 . ?
C33 C34 1.536(13) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.562(18) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.570(17) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C37' 1.390(17) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C38 H38D 0.9800 . ?
C38 H38E 0.9800 . ?
C38 H38F 0.9800 . ?
C35' C36' 1.554(17) . ?
C35' H35C 0.9900 . ?
C35' H35D 0.9900 . ?
C36' H36D 0.9800 . ?
C36' H36E 0.9800 . ?
C36' H36F 0.9800 . ?
C37' H37C 0.9900 . ?
C37' H37D 0.9900 . ?
C39 C40 1.510(16) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.479(19) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.33(2) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.487(16) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C48 1.477(18) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.522(14) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
Cl1 C51 1.79(3) . ?
Cl2 C51 1.66(3) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
Cl3 C52 1.79(2) . ?
Cl4 C52 1.85(2) . ?
Cl5 Cl5' 0.96(3) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
