#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:50:43 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179131 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/93/4309302.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_4309302
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 O8 P8 Fe2 Pt4), 5(C H2 Cl2)'
_chemical_formula_sum            'C105 H162 Cl10 Fe2 O8 P8 Pt4'
_chemical_formula_weight         3046.67
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_method           SHELXL-97
_cell_angle_alpha                101.2892(7)
_cell_angle_beta                 96.4838(10)
_cell_angle_gamma                90.7274(10)
_cell_formula_units_Z            1
_cell_length_a                   11.03410(10)
_cell_length_b                   16.2572(3)
_cell_length_c                   17.7300(3)
_cell_measurement_reflns_used    10532
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      1.018
_cell_volume                     3097.01(8)
_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 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Nonius KappaCCD Diffactometer'
_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  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0495
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            22794
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.79
_exptl_absorpt_coefficient_mu    5.096
_exptl_absorpt_correction_T_max  0.5571
_exptl_absorpt_correction_T_min  0.2476
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1510
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.541
_refine_diff_density_min         -1.763
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     626
_refine_ls_number_reflns         13993
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0417
_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/[σ²(Fo²)+(0.0249P)²+19.0800P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0923
_refine_ls_wR_factor_ref         0.0999
_reflns_number_gt                11320
_reflns_number_total             13993
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0481834si20041223_044853.cif
_cod_data_source_block           pjs204
_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               4309302
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.75683(2) -0.092845(14) 0.260231(13) 0.02361(7) Uani 1 1 d . . .
Pt2 Pt 1.137671(18) 0.320856(14) 0.284176(12) 0.02107(6) Uani 1 1 d . . .
Fe1 Fe 0.67565(7) -0.37764(5) -0.00522(4) 0.02064(17) Uani 1 1 d . . .
P1 P 0.5710(2) -0.04997(15) 0.20897(17) 0.0284(8) Uani 0.708(7) 1 d P A 1
P1' P 0.6144(7) -0.0481(4) 0.1787(4) 0.0305(17) Uiso 0.292(7) 1 d P A 2
P2 P 0.92718(14) -0.14313(11) 0.32019(10) 0.0320(4) Uani 1 1 d . A .
P3 P 0.96954(13) 0.35184(11) 0.20726(9) 0.0285(3) Uani 1 1 d . . .
P4 P 1.31029(14) 0.30399(13) 0.36444(11) 0.0356(4) Uani 1 1 d . B .
O1 O 0.7608(3) -0.3208(3) -0.1898(2) 0.0262(9) Uani 1 1 d . . .
O2 O 0.7030(4) -0.4576(3) -0.2254(2) 0.0285(9) Uani 1 1 d . . .
O3 O 0.7742(4) -0.1918(3) 0.1649(2) 0.0301(10) Uani 1 1 d . A .
O4 O 0.6485(4) -0.2779(3) 0.2066(2) 0.0318(10) Uani 1 1 d . A .
C1 C 0.7012(5) -0.3871(4) -0.1825(3) 0.0218(12) Uani 1 1 d . . .
C2 C 0.6218(5) -0.3745(4) -0.1191(3) 0.0231(12) Uani 1 1 d . . .
C3 C 0.5546(5) -0.4384(4) -0.0959(3) 0.0256(13) Uani 1 1 d . . .
H3 H 0.5524 -0.4966 -0.1184 0.031 Uiso 1 1 calc R . .
C4 C 0.4910(5) -0.4004(4) -0.0330(3) 0.0286(14) Uani 1 1 d . . .
H4 H 0.4392 -0.4286 -0.0062 0.034 Uiso 1 1 calc R . .
C5 C 0.5194(5) -0.3125(4) -0.0179(4) 0.0293(13) Uani 1 1 d . . .
H5 H 0.4890 -0.2718 0.0208 0.035 Uiso 1 1 calc R . .
C6 C 0.6004(5) -0.2959(4) -0.0699(3) 0.0250(12) Uani 1 1 d . . .
H6 H 0.6344 -0.2425 -0.0720 0.030 Uiso 1 1 calc R . .
C7 C 0.8422(5) -0.3277(4) 0.0483(3) 0.0257(13) Uani 1 1 d . . .
H7 H 0.8810 -0.2777 0.0412 0.031 Uiso 1 1 calc R . .
C8 C 0.8543(5) -0.4111(4) 0.0045(3) 0.0277(13) Uani 1 1 d . . .
H8 H 0.9027 -0.4258 -0.0368 0.033 Uiso 1 1 calc R . .
C9 C 0.7821(5) -0.4670(4) 0.0334(3) 0.0281(13) Uani 1 1 d . . .
H9 H 0.7736 -0.5260 0.0152 0.034 Uiso 1 1 calc R . .
C10 C 0.7239(5) -0.4196(4) 0.0947(3) 0.0245(12) Uani 1 1 d . . .
H10 H 0.6695 -0.4417 0.1242 0.029 Uiso 1 1 calc R . .
C11 C 0.7607(5) -0.3341(4) 0.1045(3) 0.0241(12) Uani 1 1 d . A .
C12 C 0.7219(5) -0.2638(4) 0.1635(3) 0.0248(12) Uani 1 1 d . . .
C13 C 0.7504(5) 0.0041(4) 0.3492(3) 0.0227(12) Uani 1 1 d . A .
C14 C 0.6801(5) 0.0000(4) 0.4107(4) 0.0293(13) Uani 1 1 d . . .
H14 H 0.6362 -0.0506 0.4107 0.035 Uiso 1 1 calc R A .
C15 C 0.6741(5) 0.0670(4) 0.4698(4) 0.0271(13) Uani 1 1 d . A .
H15 H 0.6242 0.0625 0.5092 0.032 Uiso 1 1 calc R . .
C16 C 0.7405(5) 0.1430(4) 0.4738(3) 0.0236(12) Uani 1 1 d . . .
C17 C 0.7339(5) 0.2132(4) 0.5361(3) 0.0266(13) Uani 1 1 d . A .
H17 H 0.6834 0.2088 0.5752 0.032 Uiso 1 1 calc R . .
C18 C 0.7984(5) 0.2860(4) 0.5403(3) 0.0267(13) Uani 1 1 d . . .
H18 H 0.7917 0.3320 0.5817 0.032 Uiso 1 1 calc R A .
C19 C 0.8770(5) 0.2940(4) 0.4822(3) 0.0242(12) Uani 1 1 d . A .
C20 C 0.9443(5) 0.3689(4) 0.4864(3) 0.0286(13) Uani 1 1 d . . .
H20 H 0.9387 0.4147 0.5281 0.034 Uiso 1 1 calc R A .
C21 C 1.0197(5) 0.3766(4) 0.4294(4) 0.0278(13) Uani 1 1 d . A .
H21 H 1.0617 0.4286 0.4320 0.033 Uiso 1 1 calc R . .
C22 C 1.0347(5) 0.3097(4) 0.3689(3) 0.0216(11) Uani 1 1 d . . .
C23 C 0.9692(5) 0.2358(4) 0.3653(3) 0.0201(11) Uani 1 1 d . A .
H23 H 0.9785 0.1897 0.3245 0.024 Uiso 1 1 calc R . .
C24 C 0.8881(5) 0.2257(4) 0.4204(3) 0.0200(11) Uani 1 1 d . . .
C25 C 0.8158(4) 0.1483(3) 0.4153(3) 0.0183(11) Uani 1 1 d . A .
C26 C 0.8155(5) 0.0788(4) 0.3537(3) 0.0217(11) Uani 1 1 d . . .
H26 H 0.8625 0.0833 0.3129 0.026 Uiso 1 1 calc R A .
C27 C 0.5714(8) 0.0602(5) 0.1994(5) 0.053(2) Uani 1 1 d . . .
H27A H 0.4886 0.0738 0.1787 0.064 Uiso 0.708(7) 1 calc PR A 1
H27B H 0.5916 0.0964 0.2513 0.064 Uiso 0.708(7) 1 calc PR A 1
H27C H 0.5375 0.0688 0.2497 0.064 Uiso 0.292(7) 1 calc PR A 2
H27D H 0.6483 0.0946 0.2084 0.064 Uiso 0.292(7) 1 calc PR A 2
C28 C 0.6619(14) 0.0797(11) 0.1467(9) 0.081(4) Uiso 0.708(7) 1 d P A 1
H28A H 0.6589 0.1392 0.1437 0.122 Uiso 0.708(7) 1 calc PR A 1
H28B H 0.6411 0.0451 0.0949 0.122 Uiso 0.708(7) 1 calc PR A 1
H28C H 0.7443 0.0674 0.1675 0.122 Uiso 0.708(7) 1 calc PR A 1
C29 C 0.4457(9) -0.0499(8) 0.2699(6) 0.041(3) Uani 0.708(7) 1 d P A 1
H29A H 0.4663 -0.0083 0.3187 0.049 Uiso 0.708(7) 1 calc PR A 1
H29B H 0.3702 -0.0324 0.2425 0.049 Uiso 0.708(7) 1 calc PR A 1
C30 C 0.4224(10) -0.1350(8) 0.2889(7) 0.047(3) Uani 0.708(7) 1 d P A 1
H30A H 0.3555 -0.1317 0.3212 0.071 Uiso 0.708(7) 1 calc PR A 1
H30B H 0.4963 -0.1522 0.3170 0.071 Uiso 0.708(7) 1 calc PR A 1
H30C H 0.4001 -0.1762 0.2408 0.071 Uiso 0.708(7) 1 calc PR A 1
C31 C 0.5130(9) -0.1152(7) 0.1177(6) 0.042(3) Uani 0.708(7) 1 d P A 1
H31A H 0.5755 -0.1152 0.0818 0.051 Uiso 0.708(7) 1 calc PR A 1
H31B H 0.5041 -0.1734 0.1259 0.051 Uiso 0.708(7) 1 calc PR A 1
C32 C 0.3928(11) -0.0928(9) 0.0777(7) 0.060(3) Uiso 0.708(7) 1 d P A 1
H32A H 0.3715 -0.1333 0.0290 0.090 Uiso 0.708(7) 1 calc PR A 1
H32B H 0.4004 -0.0363 0.0667 0.090 Uiso 0.708(7) 1 calc PR A 1
H32C H 0.3286 -0.0944 0.1114 0.090 Uiso 0.708(7) 1 calc PR A 1
C28' C 0.492(4) 0.096(3) 0.151(3) 0.106(15) Uiso 0.292(7) 1 d P A 2
H28D H 0.4842 0.1557 0.1731 0.159 Uiso 0.292(7) 1 calc PR A 2
H28E H 0.4112 0.0674 0.1436 0.159 Uiso 0.292(7) 1 calc PR A 2
H28F H 0.5224 0.0908 0.1002 0.159 Uiso 0.292(7) 1 calc PR A 2
C29' C 0.467(2) -0.1027(16) 0.1794(14) 0.039(6) Uiso 0.292(7) 1 d P A 2
H29C H 0.4034 -0.0779 0.1473 0.047 Uiso 0.292(7) 1 calc PR A 2
H29D H 0.4725 -0.1622 0.1541 0.047 Uiso 0.292(7) 1 calc PR A 2
C30' C 0.426(3) -0.100(2) 0.2542(19) 0.047(7) Uiso 0.292(7) 1 d P A 2
H30D H 0.3476 -0.1308 0.2478 0.071 Uiso 0.292(7) 1 calc PR A 2
H30E H 0.4171 -0.0416 0.2794 0.071 Uiso 0.292(7) 1 calc PR A 2
H30F H 0.4865 -0.1262 0.2862 0.071 Uiso 0.292(7) 1 calc PR A 2
C31' C 0.640(2) -0.0716(17) 0.0783(15) 0.043(6) Uiso 0.292(7) 1 d PD A 2
H31C H 0.6389 -0.1334 0.0611 0.052 Uiso 0.292(7) 1 calc PR A 2
H31D H 0.5715 -0.0503 0.0476 0.052 Uiso 0.292(7) 1 calc PR A 2
C32' C 0.762(2) -0.035(2) 0.059(2) 0.069(9) Uiso 0.292(7) 1 d PD A 2
H32D H 0.7674 -0.0514 0.0037 0.103 Uiso 0.292(7) 1 calc PR A 2
H32E H 0.8310 -0.0565 0.0883 0.103 Uiso 0.292(7) 1 calc PR A 2
H32F H 0.7632 0.0265 0.0742 0.103 Uiso 0.292(7) 1 calc PR A 2
C33 C 1.0106(6) -0.0763(5) 0.4055(4) 0.0399(17) Uani 1 1 d . . .
H33A H 0.9509 -0.0475 0.4383 0.048 Uiso 1 1 calc R A .
H33B H 1.0584 -0.1124 0.4358 0.048 Uiso 1 1 calc R . .
C34 C 1.0970(6) -0.0104(5) 0.3882(5) 0.0467(19) Uani 1 1 d . A .
H34A H 1.1628 -0.0382 0.3613 0.070 Uiso 1 1 calc R . .
H34B H 1.1319 0.0259 0.4368 0.070 Uiso 1 1 calc R . .
H34C H 1.0519 0.0236 0.3552 0.070 Uiso 1 1 calc R . .
C35 C 0.8883(8) -0.2388(5) 0.3529(5) 0.059(2) Uani 1 1 d . . .
H35A H 0.8510 -0.2809 0.3079 0.071 Uiso 1 1 calc R A .
H35B H 0.9641 -0.2621 0.3745 0.071 Uiso 1 1 calc R . .
C36 C 0.8031(12) -0.2246(7) 0.4123(7) 0.091(4) Uani 1 1 d . A .
H36A H 0.8390 -0.1824 0.4568 0.137 Uiso 1 1 calc R . .
H36B H 0.7876 -0.2773 0.4292 0.137 Uiso 1 1 calc R . .
H36C H 0.7260 -0.2047 0.3904 0.137 Uiso 1 1 calc R . .
C37 C 1.0400(7) -0.1829(7) 0.2556(6) 0.078(4) Uani 1 1 d . . .
H37A H 1.1171 -0.1901 0.2877 0.093 Uiso 1 1 calc R A .
H37B H 1.0111 -0.2391 0.2259 0.093 Uiso 1 1 calc R . .
C38 C 1.0672(11) -0.1296(8) 0.1995(7) 0.090(3) Uiso 1 1 d . A .
H38A H 0.9926 -0.1241 0.1654 0.135 Uiso 1 1 calc R . .
H38B H 1.1294 -0.1558 0.1683 0.135 Uiso 1 1 calc R . .
H38C H 1.0973 -0.0739 0.2279 0.135 Uiso 1 1 calc R . .
C39 C 0.9802(6) 0.4602(5) 0.1972(5) 0.0406(17) Uani 1 1 d . . .
H39A H 1.0504 0.4677 0.1687 0.049 Uiso 1 1 calc R . .
H39B H 0.9054 0.4732 0.1660 0.049 Uiso 1 1 calc R . .
C40 C 0.9962(8) 0.5227(5) 0.2755(5) 0.054(2) Uani 1 1 d . . .
H40A H 0.9244 0.5184 0.3026 0.081 Uiso 1 1 calc R . .
H40B H 1.0050 0.5799 0.2665 0.081 Uiso 1 1 calc R . .
H40C H 1.0692 0.5096 0.3072 0.081 Uiso 1 1 calc R . .
C41 C 0.8186(5) 0.3381(5) 0.2373(4) 0.0408(17) Uani 1 1 d . . .
H41A H 0.8066 0.2786 0.2408 0.049 Uiso 1 1 calc R . .
H41B H 0.8170 0.3724 0.2898 0.049 Uiso 1 1 calc R . .
C42 C 0.7122(7) 0.3616(7) 0.1848(5) 0.064(3) Uani 1 1 d . . .
H42A H 0.7220 0.4206 0.1812 0.096 Uiso 1 1 calc R . .
H42B H 0.6358 0.3531 0.2061 0.096 Uiso 1 1 calc R . .
H42C H 0.7099 0.3262 0.1331 0.096 Uiso 1 1 calc R . .
C43 C 0.9597(7) 0.2955(6) 0.1068(4) 0.049(2) Uani 1 1 d . . .
H43A H 0.9037 0.3245 0.0739 0.059 Uiso 1 1 calc R . .
H43B H 1.0413 0.2962 0.0888 0.059 Uiso 1 1 calc R . .
C44 C 0.9144(13) 0.2054(9) 0.0976(9) 0.112(5) Uiso 1 1 d . . .
H44A H 0.9753 0.1743 0.1241 0.169 Uiso 1 1 calc R . .
H44B H 0.9010 0.1795 0.0424 0.169 Uiso 1 1 calc R . .
H44C H 0.8375 0.2041 0.1202 0.169 Uiso 1 1 calc R . .
C45 C 1.3338(6) 0.3858(6) 0.4513(4) 0.052(2) Uani 1 1 d . . .
H45A H 1.2652 0.3826 0.4823 0.062 Uiso 1 1 calc R . .
H45B H 1.4096 0.3752 0.4829 0.062 Uiso 1 1 calc R . .
C46 C 1.3429(8) 0.4730(6) 0.4353(5) 0.060(2) Uani 1 1 d . . .
H46A H 1.4191 0.4802 0.4134 0.089 Uiso 1 1 calc R . .
H46B H 1.3421 0.5141 0.4837 0.089 Uiso 1 1 calc R . .
H46C H 1.2735 0.4815 0.3983 0.089 Uiso 1 1 calc R . .
C47 C 1.4517(6) 0.3066(6) 0.3198(5) 0.048(2) Uani 1 1 d . . .
H47A H 1.4447 0.2621 0.2725 0.057 Uiso 1 1 calc R . .
H47B H 1.4585 0.3611 0.3035 0.057 Uiso 1 1 calc R . .
C48 C 1.5694(6) 0.2950(7) 0.3697(6) 0.065(3) Uani 1 1 d . . .
H48A H 1.5815 0.3412 0.4149 0.097 Uiso 1 1 calc R . .
H48B H 1.6383 0.2948 0.3393 0.097 Uiso 1 1 calc R . .
H48C H 1.5641 0.2415 0.3871 0.097 Uiso 1 1 calc R . .
C49 C 1.3091(9) 0.2081(6) 0.4002(6) 0.065(2) Uiso 1 1 d . . .
H49A H 1.3799 0.2102 0.4403 0.079 Uiso 0.785(18) 1 calc PR B 1
H49B H 1.2343 0.2051 0.4258 0.079 Uiso 0.785(18) 1 calc PR B 1
H49C H 1.2499 0.2193 0.4387 0.079 Uiso 0.215(18) 1 calc PR B 2
H49D H 1.2654 0.1683 0.3557 0.079 Uiso 0.215(18) 1 calc PR B 2
C50 C 1.3132(14) 0.1375(10) 0.3470(9) 0.093(5) Uiso 0.785(18) 1 d P B 1
H50A H 1.2396 0.1316 0.3096 0.139 Uiso 0.785(18) 1 calc PR B 1
H50B H 1.3175 0.0891 0.3726 0.139 Uiso 0.785(18) 1 calc PR B 1
H50C H 1.3855 0.1401 0.3200 0.139 Uiso 0.785(18) 1 calc PR B 1
C50' C 1.393(3) 0.156(2) 0.4335(18) 0.033(9) Uiso 0.215(18) 1 d P B 2
H50D H 1.3507 0.1030 0.4358 0.050 Uiso 0.215(18) 1 calc PR B 2
H50E H 1.4253 0.1843 0.4859 0.050 Uiso 0.215(18) 1 calc PR B 2
H50F H 1.4599 0.1438 0.4017 0.050 Uiso 0.215(18) 1 calc PR B 2
C51 C 0.5406(6) 0.5866(4) 0.2945(4) 0.0331(14) Uani 1 1 d . . .
H51A H 0.4797 0.5450 0.2627 0.040 Uiso 1 1 calc R . .
H51B H 0.5766 0.6182 0.2596 0.040 Uiso 1 1 calc R . .
Cl1 Cl 0.6568(2) 0.53367(16) 0.34139(13) 0.0624(6) Uani 1 1 d . . .
Cl2 Cl 0.46759(17) 0.65673(13) 0.36350(10) 0.0453(4) Uani 1 1 d . . .
C52 C 0.2375(6) 0.6340(5) 0.1863(4) 0.0416(17) Uani 1 1 d D . .
H52A H 0.2508 0.5780 0.1993 0.050 Uiso 1 1 calc R . .
H52B H 0.2257 0.6739 0.2345 0.050 Uiso 1 1 calc R . .
Cl3 Cl 0.36781(18) 0.66653(14) 0.14836(13) 0.0549(5) Uani 1 1 d D . .
Cl4 Cl 0.10567(16) 0.62883(13) 0.11954(11) 0.0484(5) Uani 1 1 d D . .
C53 C 0.7931(16) -0.1149(11) -0.1177(8) 0.060(4) Uiso 0.50 1 d PD C 1
H53A H 0.8114 -0.1735 -0.1403 0.072 Uiso 0.50 1 calc PR C 1
H53B H 0.7056 -0.1073 -0.1330 0.072 Uiso 0.50 1 calc PR C 1
Cl5 Cl 0.8189(7) -0.1007(5) -0.0129(4) 0.111(2) Uiso 0.50 1 d PD C 1
Cl6 Cl 0.8760(8) -0.0499(6) -0.1562(5) 0.137(3) Uiso 0.50 1 d PD C 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 176.3(2) . . ?
C13 Pt1 P1' 96.4(2) . . ?
O3 Pt1 P1' 84.5(2) . . ?
C13 Pt1 P2 92.31(16) . . ?
O3 Pt1 P2 86.23(13) . . ?
P1' Pt1 P2 167.1(2) . . ?
C13 Pt1 P1 86.61(17) . . ?
O3 Pt1 P1 95.24(14) . . ?
P1' Pt1 P1 19.15(19) . . ?
P2 Pt1 P1 173.00(9) . . ?
C22 Pt2 O1 174.5(2) . 2_755 ?
C22 Pt2 P3 91.07(15) . . ?
O1 Pt2 P3 87.84(12) 2_755 . ?
C22 Pt2 P4 89.82(15) . . ?
O1 Pt2 P4 91.81(12) 2_755 . ?
P3 Pt2 P4 174.29(7) . . ?
C10 Fe1 C6 154.9(2) . . ?
C10 Fe1 C5 120.2(2) . . ?
C6 Fe1 C5 40.4(2) . . ?
C10 Fe1 C8 68.2(2) . . ?
C6 Fe1 C8 126.5(2) . . ?
C5 Fe1 C8 163.6(3) . . ?
C10 Fe1 C2 162.3(2) . . ?
C6 Fe1 C2 41.1(2) . . ?
C5 Fe1 C2 68.3(2) . . ?
C8 Fe1 C2 108.1(2) . . ?
C10 Fe1 C11 40.5(2) . . ?
C6 Fe1 C11 120.4(2) . . ?
C5 Fe1 C11 107.6(2) . . ?
C8 Fe1 C11 68.8(2) . . ?
C2 Fe1 C11 156.1(2) . . ?
C10 Fe1 C7 68.4(2) . . ?
C6 Fe1 C7 108.0(2) . . ?
C5 Fe1 C7 125.8(3) . . ?
C8 Fe1 C7 41.1(2) . . ?
C2 Fe1 C7 121.0(2) . . ?
C11 Fe1 C7 40.9(2) . . ?
C10 Fe1 C3 125.0(2) . . ?
C6 Fe1 C3 68.7(3) . . ?
C5 Fe1 C3 68.2(3) . . ?
C8 Fe1 C3 120.2(2) . . ?
C2 Fe1 C3 40.5(2) . . ?
C11 Fe1 C3 161.9(2) . . ?
C7 Fe1 C3 155.6(2) . . ?
C10 Fe1 C9 40.8(2) . . ?
C6 Fe1 C9 163.1(2) . . ?
C5 Fe1 C9 154.9(3) . . ?
C8 Fe1 C9 40.1(3) . . ?
C2 Fe1 C9 125.4(2) . . ?
C11 Fe1 C9 68.5(2) . . ?
C7 Fe1 C9 68.5(3) . . ?
C3 Fe1 C9 107.3(3) . . ?
C10 Fe1 C4 107.0(2) . . ?
C6 Fe1 C4 68.6(2) . . ?
C5 Fe1 C4 40.7(3) . . ?
C8 Fe1 C4 154.5(3) . . ?
C2 Fe1 C4 68.5(2) . . ?
C11 Fe1 C4 124.8(2) . . ?
C7 Fe1 C4 162.6(2) . . ?
C3 Fe1 C4 40.7(2) . . ?
C9 Fe1 C4 119.8(3) . . ?
C31 P1 C27 109.4(5) . . ?
C31 P1 C29 104.5(5) . . ?
C27 P1 C29 99.5(5) . . ?
C31 P1 Pt1 112.8(4) . . ?
C27 P1 Pt1 114.2(3) . . ?
C29 P1 Pt1 115.2(4) . . ?
C31' P1' C27 106.7(10) . . ?
C31' P1' C29' 103.6(11) . . ?
C27 P1' C29' 100.8(9) . . ?
C31' P1' Pt1 115.1(9) . . ?
C27 P1' Pt1 119.1(4) . . ?
C29' P1' Pt1 109.5(8) . . ?
C33 P2 C35 104.5(4) . . ?
C33 P2 C37 106.7(4) . . ?
C35 P2 C37 100.1(5) . . ?
C33 P2 Pt1 118.8(2) . . ?
C35 P2 Pt1 110.4(3) . . ?
C37 P2 Pt1 114.3(3) . . ?
C39 P3 C43 102.3(4) . . ?
C39 P3 C41 105.4(3) . . ?
C43 P3 C41 105.5(3) . . ?
C39 P3 Pt2 110.0(2) . . ?
C43 P3 Pt2 113.7(3) . . ?
C41 P3 Pt2 118.4(2) . . ?
C49 P4 C45 104.3(4) . . ?
C49 P4 C47 106.2(4) . . ?
C45 P4 C47 104.6(4) . . ?
C49 P4 Pt2 114.0(3) . . ?
C45 P4 Pt2 112.9(3) . . ?
C47 P4 Pt2 113.9(2) . . ?
C1 O1 Pt2 121.6(4) . 2_755 ?
C12 O3 Pt1 118.3(4) . . ?
O2 C1 O1 125.1(5) . . ?
O2 C1 C2 119.6(5) . . ?
O1 C1 C2 115.3(5) . . ?
C3 C2 C6 107.9(5) . . ?
C3 C2 C1 125.8(5) . . ?
C6 C2 C1 126.3(5) . . ?
C3 C2 Fe1 69.8(3) . . ?
C6 C2 Fe1 69.3(3) . . ?
C1 C2 Fe1 126.0(4) . . ?
C2 C3 C4 108.3(6) . . ?
C2 C3 Fe1 69.7(3) . . ?
C4 C3 Fe1 69.7(3) . . ?
C2 C3 H3 125.8 . . ?
C4 C3 H3 125.8 . . ?
Fe1 C3 H3 126.3 . . ?
C5 C4 C3 107.4(5) . . ?
C5 C4 Fe1 69.5(3) . . ?
C3 C4 Fe1 69.6(3) . . ?
C5 C4 H4 126.3 . . ?
C3 C4 H4 126.3 . . ?
Fe1 C4 H4 126.2 . . ?
C6 C5 C4 108.8(5) . . ?
C6 C5 Fe1 69.7(3) . . ?
C4 C5 Fe1 69.8(3) . . ?
C6 C5 H5 125.6 . . ?
C4 C5 H5 125.6 . . ?
Fe1 C5 H5 126.5 . . ?
C5 C6 C2 107.5(5) . . ?
C5 C6 Fe1 69.9(3) . . ?
C2 C6 Fe1 69.6(3) . . ?
C5 C6 H6 126.2 . . ?
C2 C6 H6 126.2 . . ?
Fe1 C6 H6 125.8 . . ?
C11 C7 C8 107.3(5) . . ?
C11 C7 Fe1 69.5(3) . . ?
C8 C7 Fe1 69.4(3) . . ?
C11 C7 H7 126.3 . . ?
C8 C7 H7 126.3 . . ?
Fe1 C7 H7 126.3 . . ?
C9 C8 C7 108.3(5) . . ?
C9 C8 Fe1 70.0(3) . . ?
C7 C8 Fe1 69.5(3) . . ?
C9 C8 H8 125.9 . . ?
C7 C8 H8 125.9 . . ?
Fe1 C8 H8 126.2 . . ?
C8 C9 C10 108.0(6) . . ?
C8 C9 Fe1 69.8(3) . . ?
C10 C9 Fe1 69.2(3) . . ?
C8 C9 H9 126.0 . . ?
C10 C9 H9 126.0 . . ?
Fe1 C9 H9 126.6 . . ?
C11 C10 C9 108.7(5) . . ?
C11 C10 Fe1 70.1(3) . . ?
C9 C10 Fe1 70.1(3) . . ?
C11 C10 H10 125.6 . . ?
C9 C10 H10 125.6 . . ?
Fe1 C10 H10 125.7 . . ?
C10 C11 C7 107.7(5) . . ?
C10 C11 C12 125.8(5) . . ?
C7 C11 C12 126.6(6) . . ?
C10 C11 Fe1 69.4(3) . . ?
C7 C11 Fe1 69.5(3) . . ?
C12 C11 Fe1 126.9(4) . . ?
O4 C12 O3 125.8(5) . . ?
O4 C12 C11 119.6(6) . . ?
O3 C12 C11 114.6(5) . . ?
C26 C13 C14 116.5(5) . . ?
C26 C13 Pt1 121.3(4) . . ?
C14 C13 Pt1 122.2(4) . . ?
C15 C14 C13 121.6(6) . . ?
C15 C14 H14 119.2 . . ?
C13 C14 H14 119.2 . . ?
C14 C15 C16 121.5(5) . . ?
C14 C15 H15 119.2 . . ?
C16 C15 H15 119.2 . . ?
C15 C16 C25 118.5(5) . . ?
C15 C16 C17 121.3(5) . . ?
C25 C16 C17 120.1(5) . . ?
C18 C17 C16 121.3(5) . . ?
C18 C17 H17 119.3 . . ?
C16 C17 H17 119.3 . . ?
C17 C18 C19 120.4(5) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C20 C19 C24 119.0(5) . . ?
C20 C19 C18 120.7(5) . . ?
C24 C19 C18 120.2(6) . . ?
C21 C20 C19 120.5(6) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C22 C21 C20 121.7(6) . . ?
C22 C21 H21 119.2 . . ?
C20 C21 H21 119.2 . . ?
C23 C22 C21 117.7(5) . . ?
C23 C22 Pt2 119.9(4) . . ?
C21 C22 Pt2 122.2(4) . . ?
C22 C23 C24 122.7(5) . . ?
C22 C23 H23 118.7 . . ?
C24 C23 H23 118.7 . . ?
C19 C24 C23 118.3(5) . . ?
C19 C24 C25 119.0(5) . . ?
C23 C24 C25 122.7(5) . . ?
C26 C25 C16 118.0(5) . . ?
C26 C25 C24 123.1(5) . . ?
C16 C25 C24 118.9(5) . . ?
C13 C26 C25 123.7(5) . . ?
C13 C26 H26 118.2 . . ?
C25 C26 H26 118.2 . . ?
C28' C27 C28 82(2) . . ?
C28' C27 P1' 124(2) . . ?
C28 C27 P1' 88.5(8) . . ?
C28' C27 P1 127(2) . . ?
C28 C27 P1 112.6(8) . . ?
P1' C27 P1 24.2(3) . . ?
C28' C27 H27A 27.2 . . ?
C28 C27 H27A 109.1 . . ?
P1' C27 H27A 117.9 . . ?
P1 C27 H27A 109.1 . . ?
C28' C27 H27B 113.2 . . ?
C28 C27 H27B 109.1 . . ?
P1' C27 H27B 121.9 . . ?
P1 C27 H27B 109.1 . . ?
H27A C27 H27B 107.8 . . ?
C28' C27 H27C 106.3 . . ?
C28 C27 H27C 152.7 . . ?
P1' C27 H27C 106.3 . . ?
P1 C27 H27C 83.3 . . ?
H27A C27 H27C 84.5 . . ?
H27B C27 H27C 43.7 . . ?
C28' C27 H27D 106.3 . . ?
C28 C27 H27D 46.6 . . ?
P1' C27 H27D 106.3 . . ?
P1 C27 H27D 121.1 . . ?
H27A C27 H27D 129.4 . . ?
H27B C27 H27D 63.0 . . ?
H27C C27 H27D 106.4 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 P1 112.6(8) . . ?
C30 C29 H29A 109.1 . . ?
P1 C29 H29A 109.1 . . ?
C30 C29 H29B 109.1 . . ?
P1 C29 H29B 109.1 . . ?
H29A C29 H29B 107.8 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 P1 117.8(8) . . ?
C32 C31 H31A 107.9 . . ?
P1 C31 H31A 107.9 . . ?
C32 C31 H31B 107.9 . . ?
P1 C31 H31B 107.9 . . ?
H31A C31 H31B 107.2 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C27 C28' H28D 109.5 . . ?
C27 C28' H28E 109.5 . . ?
H28D C28' H28E 109.5 . . ?
C27 C28' H28F 109.5 . . ?
H28D C28' H28F 109.5 . . ?
H28E C28' H28F 109.5 . . ?
C30' C29' P1' 116(2) . . ?
C30' C29' H29C 108.2 . . ?
P1' C29' H29C 108.2 . . ?
C30' C29' H29D 108.2 . . ?
P1' C29' H29D 108.2 . . ?
H29C C29' H29D 107.4 . . ?
C29' C30' H30D 109.5 . . ?
C29' C30' H30E 109.5 . . ?
H30D C30' H30E 109.5 . . ?
C29' C30' H30F 109.5 . . ?
H30D C30' H30F 109.5 . . ?
H30E C30' H30F 109.5 . . ?
C32' C31' P1' 116(2) . . ?
C32' C31' H31C 108.3 . . ?
P1' C31' H31C 108.3 . . ?
C32' C31' H31D 108.3 . . ?
P1' C31' H31D 108.3 . . ?
H31C C31' H31D 107.4 . . ?
C31' C32' H32D 109.5 . . ?
C31' C32' H32E 109.5 . . ?
H32D C32' H32E 109.5 . . ?
C31' C32' H32F 109.5 . . ?
H32D C32' H32F 109.5 . . ?
H32E C32' H32F 109.5 . . ?
C34 C33 P2 114.9(5) . . ?
C34 C33 H33A 108.6 . . ?
P2 C33 H33A 108.6 . . ?
C34 C33 H33B 108.6 . . ?
P2 C33 H33B 108.6 . . ?
H33A C33 H33B 107.5 . . ?
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 112.8(7) . . ?
C36 C35 H35A 109.0 . . ?
P2 C35 H35A 109.0 . . ?
C36 C35 H35B 109.0 . . ?
P2 C35 H35B 109.0 . . ?
H35A C35 H35B 107.8 . . ?
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 115.8(8) . . ?
C38 C37 H37A 108.3 . . ?
P2 C37 H37A 108.3 . . ?
C38 C37 H37B 108.3 . . ?
P2 C37 H37B 108.3 . . ?
H37A C37 H37B 107.4 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 P3 113.2(5) . . ?
C40 C39 H39A 108.9 . . ?
P3 C39 H39A 108.9 . . ?
C40 C39 H39B 108.9 . . ?
P3 C39 H39B 108.9 . . ?
H39A C39 H39B 107.7 . . ?
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 115.6(5) . . ?
C42 C41 H41A 108.4 . . ?
P3 C41 H41A 108.4 . . ?
C42 C41 H41B 108.4 . . ?
P3 C41 H41B 108.4 . . ?
H41A C41 H41B 107.4 . . ?
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 112.1(7) . . ?
C44 C43 H43A 109.2 . . ?
P3 C43 H43A 109.2 . . ?
C44 C43 H43B 109.2 . . ?
P3 C43 H43B 109.2 . . ?
H43A C43 H43B 107.9 . . ?
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 113.8(5) . . ?
C46 C45 H45A 108.8 . . ?
P4 C45 H45A 108.8 . . ?
C46 C45 H45B 108.8 . . ?
P4 C45 H45B 108.8 . . ?
H45A C45 H45B 107.7 . . ?
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 116.6(5) . . ?
C48 C47 H47A 108.2 . . ?
P4 C47 H47A 108.2 . . ?
C48 C47 H47B 108.2 . . ?
P4 C47 H47B 108.2 . . ?
H47A C47 H47B 107.3 . . ?
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 C50' 73.3(15) . . ?
C50 C49 P4 115.7(10) . . ?
C50' C49 P4 139.1(15) . . ?
C50 C49 H49A 108.4 . . ?
C50' C49 H49A 38.1 . . ?
P4 C49 H49A 108.4 . . ?
C50 C49 H49B 108.4 . . ?
C50' C49 H49B 105.4 . . ?
P4 C49 H49B 108.4 . . ?
H49A C49 H49B 107.4 . . ?
C50 C49 H49C 125.8 . . ?
C50' C49 H49C 102.3 . . ?
P4 C49 H49C 102.3 . . ?
H49A C49 H49C 93.4 . . ?
H49B C49 H49C 18.8 . . ?
C50 C49 H49D 32.8 . . ?
C50' C49 H49D 102.3 . . ?
P4 C49 H49D 102.3 . . ?
H49A C49 H49D 139.9 . . ?
H49B C49 H49D 86.1 . . ?
H49C C49 H49D 104.9 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
C49 C50' H50D 109.5 . . ?
C49 C50' H50E 109.5 . . ?
H50D C50' H50E 109.5 . . ?
C49 C50' H50F 109.5 . . ?
H50D C50' H50F 109.5 . . ?
H50E C50' H50F 109.5 . . ?
Cl1 C51 Cl2 110.6(3) . . ?
Cl1 C51 H51A 109.5 . . ?
Cl2 C51 H51A 109.5 . . ?
Cl1 C51 H51B 109.5 . . ?
Cl2 C51 H51B 109.5 . . ?
H51A C51 H51B 108.1 . . ?
Cl4 C52 Cl3 111.4(4) . . ?
Cl4 C52 H52A 109.4 . . ?
Cl3 C52 H52A 109.4 . . ?
Cl4 C52 H52B 109.4 . . ?
Cl3 C52 H52B 109.4 . . ?
H52A C52 H52B 108.0 . . ?
Cl6 C53 Cl5 115.1(10) . . ?
Cl6 C53 H53A 108.5 . . ?
Cl5 C53 H53A 108.5 . . ?
Cl6 C53 H53B 108.5 . . ?
Cl5 C53 H53B 108.5 . . ?
H53A C53 H53B 107.5 . . ?
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 2.008(6) . ?
Pt1 O3 2.120(4) . ?
Pt1 P1' 2.239(6) . ?
Pt1 P2 2.2934(16) . ?
Pt1 P1 2.319(2) . ?
Pt2 C22 2.018(6) . ?
Pt2 O1 2.116(4) 2_755 ?
Pt2 P3 2.2971(15) . ?
Pt2 P4 2.2983(16) . ?
Fe1 C10 2.039(6) . ?
Fe1 C6 2.045(6) . ?
Fe1 C5 2.048(6) . ?
Fe1 C8 2.049(6) . ?
Fe1 C2 2.049(5) . ?
Fe1 C11 2.049(5) . ?
Fe1 C7 2.050(6) . ?
Fe1 C3 2.050(5) . ?
Fe1 C9 2.051(6) . ?
Fe1 C4 2.053(6) . ?
P1 C31 1.797(10) . ?
P1 C27 1.832(9) . ?
P1 C29 1.848(10) . ?
P1' C31' 1.80(3) . ?
P1' C27 1.808(10) . ?
P1' C29' 1.85(3) . ?
P2 C33 1.825(7) . ?
P2 C35 1.826(9) . ?
P2 C37 1.826(9) . ?
P3 C39 1.808(7) . ?
P3 C43 1.827(7) . ?
P3 C41 1.829(6) . ?
P4 C49 1.795(10) . ?
P4 C45 1.819(9) . ?
P4 C47 1.830(7) . ?
O1 C1 1.292(7) . ?
O1 Pt2 2.116(4) 2_755 ?
O2 C1 1.247(7) . ?
O3 C12 1.294(7) . ?
O4 C12 1.223(7) . ?
C1 C2 1.486(8) . ?
C2 C3 1.420(8) . ?
C2 C6 1.437(8) . ?
C3 C4 1.426(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.426(9) . ?
C4 H4 0.9500 . ?
C5 C6 1.414(8) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C11 1.433(8) . ?
C7 C8 1.440(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.407(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.425(8) . ?
C9 H9 0.9500 . ?
C10 C11 1.415(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.493(8) . ?
C13 C26 1.387(8) . ?
C13 C14 1.418(8) . ?
C14 C15 1.363(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.414(9) . ?
C15 H15 0.9500 . ?
C16 C25 1.415(8) . ?
C16 C17 1.434(8) . ?
C17 C18 1.358(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.442(8) . ?
C18 H18 0.9500 . ?
C19 C20 1.403(9) . ?
C19 C24 1.416(8) . ?
C20 C21 1.402(8) . ?
C20 H20 0.9500 . ?
C21 C22 1.395(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.381(8) . ?
C23 C24 1.428(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.464(8) . ?
C25 C26 1.409(8) . ?
C26 H26 0.9500 . ?
C27 C28' 1.38(4) . ?
C27 C28 1.513(17) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 H27C 0.9900 . ?
C27 H27D 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.511(17) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.516(15) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C28' H28D 0.9800 . ?
C28' H28E 0.9800 . ?
C28' H28F 0.9800 . ?
C29' C30' 1.44(4) . ?
C29' H29C 0.9900 . ?
C29' H29D 0.9900 . ?
C30' H30D 0.9800 . ?
C30' H30E 0.9800 . ?
C30' H30F 0.9800 . ?
C31' C32' 1.558(18) . ?
C31' H31C 0.9900 . ?
C31' H31D 0.9900 . ?
C32' H32D 0.9800 . ?
C32' H32E 0.9800 . ?
C32' H32F 0.9800 . ?
C33 C34 1.523(11) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.477(14) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.493(16) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.543(11) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.514(9) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.513(16) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.503(13) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C48 1.522(9) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.340(18) . ?
C49 C50' 1.42(3) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 H49C 0.9900 . ?
C49 H49D 0.9900 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C50' H50D 0.9800 . ?
C50' H50E 0.9800 . ?
C50' H50F 0.9800 . ?
C51 Cl1 1.772(7) . ?
C51 Cl2 1.774(6) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 Cl4 1.759(7) . ?
C52 Cl3 1.771(7) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 Cl6 1.680(15) . ?
C53 Cl5 1.815(14) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13 Pt1 P1 C31 179.8(5) . . . . ?
O3 Pt1 P1 C31 3.0(4) . . . . ?
P1' Pt1 P1 C31 59.2(7) . . . . ?
P2 Pt1 P1 C31 -98.9(8) . . . . ?
C13 Pt1 P1 C27 54.1(4) . . . . ?
O3 Pt1 P1 C27 -122.8(4) . . . . ?
P1' Pt1 P1 C27 -66.6(6) . . . . ?
P2 Pt1 P1 C27 135.3(6) . . . . ?
C13 Pt1 P1 C29 -60.3(5) . . . . ?
O3 Pt1 P1 C29 122.8(5) . . . . ?
P1' Pt1 P1 C29 179.0(7) . . . . ?
P2 Pt1 P1 C29 20.9(8) . . . . ?
C13 Pt1 P1' C31' 144.9(9) . . . . ?
O3 Pt1 P1' C31' -31.5(9) . . . . ?
P2 Pt1 P1' C31' 12.9(14) . . . . ?
P1 Pt1 P1' C31' -155.3(12) . . . . ?
C13 Pt1 P1' C27 16.3(6) . . . . ?
O3 Pt1 P1' C27 -160.2(6) . . . . ?
P2 Pt1 P1' C27 -115.7(8) . . . . ?
P1 Pt1 P1' C27 76.1(7) . . . . ?
C13 Pt1 P1' C29' -98.8(9) . . . . ?
O3 Pt1 P1' C29' 84.7(9) . . . . ?
P2 Pt1 P1' C29' 129.2(11) . . . . ?
P1 Pt1 P1' C29' -39.1(10) . . . . ?
C13 Pt1 P2 C33 -12.5(3) . . . . ?
O3 Pt1 P2 C33 164.1(3) . . . . ?
P1' Pt1 P2 C33 119.8(8) . . . . ?
P1 Pt1 P2 C33 -93.5(7) . . . . ?
C13 Pt1 P2 C35 108.1(4) . . . . ?
O3 Pt1 P2 C35 -75.3(4) . . . . ?
P1' Pt1 P2 C35 -119.6(9) . . . . ?
P1 Pt1 P2 C35 27.1(8) . . . . ?
C13 Pt1 P2 C37 -140.0(4) . . . . ?
O3 Pt1 P2 C37 36.6(4) . . . . ?
P1' Pt1 P2 C37 -7.7(9) . . . . ?
P1 Pt1 P2 C37 139.1(7) . . . . ?
C22 Pt2 P3 C39 111.2(3) . . . . ?
O1 Pt2 P3 C39 -74.2(3) 2_755 . . . ?
P4 Pt2 P3 C39 12.4(7) . . . . ?
C22 Pt2 P3 C43 -134.8(3) . . . . ?
O1 Pt2 P3 C43 39.8(3) 2_755 . . . ?
P4 Pt2 P3 C43 126.4(6) . . . . ?
C22 Pt2 P3 C41 -10.0(4) . . . . ?
O1 Pt2 P3 C41 164.5(3) 2_755 . . . ?
P4 Pt2 P3 C41 -108.9(6) . . . . ?
C22 Pt2 P4 C49 57.3(4) . . . . ?
O1 Pt2 P4 C49 -117.4(4) 2_755 . . . ?
P3 Pt2 P4 C49 156.2(6) . . . . ?
C22 Pt2 P4 C45 -61.5(3) . . . . ?
O1 Pt2 P4 C45 123.8(3) 2_755 . . . ?
P3 Pt2 P4 C45 37.4(7) . . . . ?
C22 Pt2 P4 C47 179.4(4) . . . . ?
O1 Pt2 P4 C47 4.7(4) 2_755 . . . ?
P3 Pt2 P4 C47 -81.7(7) . . . . ?
C13 Pt1 O3 C12 155(3) . . . . ?
P1' Pt1 O3 C12 -101.0(5) . . . . ?
P2 Pt1 O3 C12 88.0(4) . . . . ?
P1 Pt1 O3 C12 -85.1(4) . . . . ?
Pt2 O1 C1 O2 5.0(7) 2_755 . . . ?
Pt2 O1 C1 C2 -172.6(3) 2_755 . . . ?
O2 C1 C2 C3 7.2(8) . . . . ?
O1 C1 C2 C3 -175.1(5) . . . . ?
O2 C1 C2 C6 -173.5(5) . . . . ?
O1 C1 C2 C6 4.3(8) . . . . ?
O2 C1 C2 Fe1 97.1(6) . . . . ?
O1 C1 C2 Fe1 -85.2(6) . . . . ?
C10 Fe1 C2 C3 40.6(9) . . . . ?
C6 Fe1 C2 C3 -119.3(5) . . . . ?
C5 Fe1 C2 C3 -81.5(4) . . . . ?
C8 Fe1 C2 C3 115.5(4) . . . . ?
C11 Fe1 C2 C3 -166.1(5) . . . . ?
C7 Fe1 C2 C3 158.8(4) . . . . ?
C9 Fe1 C2 C3 74.5(4) . . . . ?
C4 Fe1 C2 C3 -37.5(4) . . . . ?
C10 Fe1 C2 C6 159.9(7) . . . . ?
C5 Fe1 C2 C6 37.8(3) . . . . ?
C8 Fe1 C2 C6 -125.2(4) . . . . ?
C11 Fe1 C2 C6 -46.8(7) . . . . ?
C7 Fe1 C2 C6 -81.9(4) . . . . ?
C3 Fe1 C2 C6 119.3(5) . . . . ?
C9 Fe1 C2 C6 -166.2(3) . . . . ?
C4 Fe1 C2 C6 81.8(4) . . . . ?
C10 Fe1 C2 C1 -79.7(9) . . . . ?
C6 Fe1 C2 C1 120.5(6) . . . . ?
C5 Fe1 C2 C1 158.3(6) . . . . ?
C8 Fe1 C2 C1 -4.7(6) . . . . ?
C11 Fe1 C2 C1 73.6(8) . . . . ?
C7 Fe1 C2 C1 38.6(6) . . . . ?
C3 Fe1 C2 C1 -120.2(7) . . . . ?
C9 Fe1 C2 C1 -45.8(6) . . . . ?
C4 Fe1 C2 C1 -157.8(6) . . . . ?
C6 C2 C3 C4 0.3(6) . . . . ?
C1 C2 C3 C4 179.7(5) . . . . ?
Fe1 C2 C3 C4 59.2(4) . . . . ?
C6 C2 C3 Fe1 -59.0(4) . . . . ?
C1 C2 C3 Fe1 120.5(5) . . . . ?
C10 Fe1 C3 C2 -166.0(3) . . . . ?
C6 Fe1 C3 C2 38.0(3) . . . . ?
C5 Fe1 C3 C2 81.6(4) . . . . ?
C8 Fe1 C3 C2 -82.8(4) . . . . ?
C11 Fe1 C3 C2 161.8(7) . . . . ?
C7 Fe1 C3 C2 -48.7(8) . . . . ?
C9 Fe1 C3 C2 -124.6(4) . . . . ?
C4 Fe1 C3 C2 119.6(5) . . . . ?
C10 Fe1 C3 C4 74.4(5) . . . . ?
C6 Fe1 C3 C4 -81.6(4) . . . . ?
C5 Fe1 C3 C4 -38.0(4) . . . . ?
C8 Fe1 C3 C4 157.6(4) . . . . ?
C2 Fe1 C3 C4 -119.6(5) . . . . ?
C11 Fe1 C3 C4 42.2(10) . . . . ?
C7 Fe1 C3 C4 -168.3(6) . . . . ?
C9 Fe1 C3 C4 115.8(4) . . . . ?
C2 C3 C4 C5 0.2(6) . . . . ?
Fe1 C3 C4 C5 59.4(4) . . . . ?
C2 C3 C4 Fe1 -59.2(4) . . . . ?
C10 Fe1 C4 C5 116.8(4) . . . . ?
C6 Fe1 C4 C5 -37.0(3) . . . . ?
C8 Fe1 C4 C5 -168.5(5) . . . . ?
C2 Fe1 C4 C5 -81.3(4) . . . . ?
C11 Fe1 C4 C5 76.0(4) . . . . ?
C7 Fe1 C4 C5 45.0(10) . . . . ?
C3 Fe1 C4 C5 -118.7(5) . . . . ?
C9 Fe1 C4 C5 159.3(3) . . . . ?
C10 Fe1 C4 C3 -124.4(4) . . . . ?
C6 Fe1 C4 C3 81.7(4) . . . . ?
C5 Fe1 C4 C3 118.7(5) . . . . ?
C8 Fe1 C4 C3 -49.7(7) . . . . ?
C2 Fe1 C4 C3 37.4(4) . . . . ?
C11 Fe1 C4 C3 -165.3(4) . . . . ?
C7 Fe1 C4 C3 163.8(8) . . . . ?
C9 Fe1 C4 C3 -82.0(4) . . . . ?
C3 C4 C5 C6 -0.6(6) . . . . ?
Fe1 C4 C5 C6 58.9(4) . . . . ?
C3 C4 C5 Fe1 -59.5(4) . . . . ?
C10 Fe1 C5 C6 158.9(3) . . . . ?
C8 Fe1 C5 C6 42.0(10) . . . . ?
C2 Fe1 C5 C6 -38.4(4) . . . . ?
C11 Fe1 C5 C6 116.5(4) . . . . ?
C7 Fe1 C5 C6 75.0(4) . . . . ?
C3 Fe1 C5 C6 -82.2(4) . . . . ?
C9 Fe1 C5 C6 -166.7(5) . . . . ?
C4 Fe1 C5 C6 -120.2(5) . . . . ?
C10 Fe1 C5 C4 -80.9(4) . . . . ?
C6 Fe1 C5 C4 120.2(5) . . . . ?
C8 Fe1 C5 C4 162.2(8) . . . . ?
C2 Fe1 C5 C4 81.8(4) . . . . ?
C11 Fe1 C5 C4 -123.3(4) . . . . ?
C7 Fe1 C5 C4 -164.8(3) . . . . ?
C3 Fe1 C5 C4 38.0(3) . . . . ?
C9 Fe1 C5 C4 -46.5(7) . . . . ?
C4 C5 C6 C2 0.7(6) . . . . ?
Fe1 C5 C6 C2 59.7(4) . . . . ?
C4 C5 C6 Fe1 -59.0(4) . . . . ?
C3 C2 C6 C5 -0.6(6) . . . . ?
C1 C2 C6 C5 179.9(5) . . . . ?
Fe1 C2 C6 C5 -59.9(4) . . . . ?
C3 C2 C6 Fe1 59.3(4) . . . . ?
C1 C2 C6 Fe1 -120.2(5) . . . . ?
C10 Fe1 C6 C5 -47.2(7) . . . . ?
C8 Fe1 C6 C5 -166.5(4) . . . . ?
C2 Fe1 C6 C5 118.5(5) . . . . ?
C11 Fe1 C6 C5 -81.5(4) . . . . ?
C7 Fe1 C6 C5 -124.6(4) . . . . ?
C3 Fe1 C6 C5 81.1(4) . . . . ?
C9 Fe1 C6 C5 160.4(8) . . . . ?
C4 Fe1 C6 C5 37.2(4) . . . . ?
C10 Fe1 C6 C2 -165.7(5) . . . . ?
C5 Fe1 C6 C2 -118.5(5) . . . . ?
C8 Fe1 C6 C2 75.0(4) . . . . ?
C11 Fe1 C6 C2 160.0(3) . . . . ?
C7 Fe1 C6 C2 116.9(3) . . . . ?
C3 Fe1 C6 C2 -37.5(3) . . . . ?
C9 Fe1 C6 C2 41.8(10) . . . . ?
C4 Fe1 C6 C2 -81.3(4) . . . . ?
C10 Fe1 C7 C11 -37.6(4) . . . . ?
C6 Fe1 C7 C11 116.0(4) . . . . ?
C5 Fe1 C7 C11 74.8(4) . . . . ?
C8 Fe1 C7 C11 -118.7(5) . . . . ?
C2 Fe1 C7 C11 159.2(4) . . . . ?
C3 Fe1 C7 C11 -166.1(6) . . . . ?
C9 Fe1 C7 C11 -81.6(4) . . . . ?
C4 Fe1 C7 C11 40.1(10) . . . . ?
C10 Fe1 C7 C8 81.1(4) . . . . ?
C6 Fe1 C7 C8 -125.3(4) . . . . ?
C5 Fe1 C7 C8 -166.5(4) . . . . ?
C2 Fe1 C7 C8 -82.1(4) . . . . ?
C11 Fe1 C7 C8 118.7(5) . . . . ?
C3 Fe1 C7 C8 -47.4(8) . . . . ?
C9 Fe1 C7 C8 37.1(4) . . . . ?
C4 Fe1 C7 C8 158.8(8) . . . . ?
C11 C7 C8 C9 -0.1(6) . . . . ?
Fe1 C7 C8 C9 -59.5(4) . . . . ?
C11 C7 C8 Fe1 59.4(4) . . . . ?
C10 Fe1 C8 C9 37.8(4) . . . . ?
C6 Fe1 C8 C9 -165.7(3) . . . . ?
C5 Fe1 C8 C9 161.6(8) . . . . ?
C2 Fe1 C8 C9 -123.8(4) . . . . ?
C11 Fe1 C8 C9 81.4(4) . . . . ?
C7 Fe1 C8 C9 119.5(5) . . . . ?
C3 Fe1 C8 C9 -81.1(4) . . . . ?
C4 Fe1 C8 C9 -46.0(7) . . . . ?
C10 Fe1 C8 C7 -81.7(4) . . . . ?
C6 Fe1 C8 C7 74.8(4) . . . . ?
C5 Fe1 C8 C7 42.2(10) . . . . ?
C2 Fe1 C8 C7 116.7(4) . . . . ?
C11 Fe1 C8 C7 -38.1(3) . . . . ?
C3 Fe1 C8 C7 159.4(3) . . . . ?
C9 Fe1 C8 C7 -119.5(5) . . . . ?
C4 Fe1 C8 C7 -165.4(5) . . . . ?
C7 C8 C9 C10 0.3(6) . . . . ?
Fe1 C8 C9 C10 -58.8(4) . . . . ?
C7 C8 C9 Fe1 59.1(4) . . . . ?
C10 Fe1 C9 C8 -119.5(5) . . . . ?
C6 Fe1 C9 C8 43.0(10) . . . . ?
C5 Fe1 C9 C8 -167.9(5) . . . . ?
C2 Fe1 C9 C8 75.6(4) . . . . ?
C11 Fe1 C9 C8 -82.1(4) . . . . ?
C7 Fe1 C9 C8 -38.0(3) . . . . ?
C3 Fe1 C9 C8 116.5(4) . . . . ?
C4 Fe1 C9 C8 159.1(3) . . . . ?
C6 Fe1 C9 C10 162.5(7) . . . . ?
C5 Fe1 C9 C10 -48.4(7) . . . . ?
C8 Fe1 C9 C10 119.5(5) . . . . ?
C2 Fe1 C9 C10 -164.9(3) . . . . ?
C11 Fe1 C9 C10 37.4(3) . . . . ?
C7 Fe1 C9 C10 81.5(4) . . . . ?
C3 Fe1 C9 C10 -124.0(4) . . . . ?
C4 Fe1 C9 C10 -81.4(4) . . . . ?
C8 C9 C10 C11 -0.5(6) . . . . ?
Fe1 C9 C10 C11 -59.7(4) . . . . ?
C8 C9 C10 Fe1 59.2(4) . . . . ?
C6 Fe1 C10 C11 -48.5(7) . . . . ?
C5 Fe1 C10 C11 -81.9(4) . . . . ?
C8 Fe1 C10 C11 82.4(4) . . . . ?
C2 Fe1 C10 C11 163.7(7) . . . . ?
C7 Fe1 C10 C11 38.0(3) . . . . ?
C3 Fe1 C10 C11 -165.2(3) . . . . ?
C9 Fe1 C10 C11 119.6(5) . . . . ?
C4 Fe1 C10 C11 -124.2(4) . . . . ?
C6 Fe1 C10 C9 -168.1(5) . . . . ?
C5 Fe1 C10 C9 158.5(4) . . . . ?
C8 Fe1 C10 C9 -37.2(4) . . . . ?
C2 Fe1 C10 C9 44.1(9) . . . . ?
C11 Fe1 C10 C9 -119.6(5) . . . . ?
C7 Fe1 C10 C9 -81.6(4) . . . . ?
C3 Fe1 C10 C9 75.2(4) . . . . ?
C4 Fe1 C10 C9 116.2(4) . . . . ?
C9 C10 C11 C7 0.4(6) . . . . ?
Fe1 C10 C11 C7 -59.2(4) . . . . ?
C9 C10 C11 C12 -179.1(5) . . . . ?
Fe1 C10 C11 C12 121.3(5) . . . . ?
C9 C10 C11 Fe1 59.7(4) . . . . ?
C8 C7 C11 C10 -0.2(6) . . . . ?
Fe1 C7 C11 C10 59.1(4) . . . . ?
C8 C7 C11 C12 179.3(5) . . . . ?
Fe1 C7 C11 C12 -121.4(5) . . . . ?
C8 C7 C11 Fe1 -59.3(4) . . . . ?
C6 Fe1 C11 C10 158.4(3) . . . . ?
C5 Fe1 C11 C10 116.1(4) . . . . ?
C8 Fe1 C11 C10 -80.8(4) . . . . ?
C2 Fe1 C11 C10 -167.8(5) . . . . ?
C7 Fe1 C11 C10 -119.1(5) . . . . ?
C3 Fe1 C11 C10 42.3(9) . . . . ?
C9 Fe1 C11 C10 -37.6(4) . . . . ?
C4 Fe1 C11 C10 74.5(4) . . . . ?
C10 Fe1 C11 C7 119.1(5) . . . . ?
C6 Fe1 C11 C7 -82.5(4) . . . . ?
C5 Fe1 C11 C7 -124.8(4) . . . . ?
C8 Fe1 C11 C7 38.3(4) . . . . ?
C2 Fe1 C11 C7 -48.7(7) . . . . ?
C3 Fe1 C11 C7 161.4(7) . . . . ?
C9 Fe1 C11 C7 81.5(4) . . . . ?
C4 Fe1 C11 C7 -166.4(4) . . . . ?
C10 Fe1 C11 C12 -119.9(7) . . . . ?
C6 Fe1 C11 C12 38.5(6) . . . . ?
C5 Fe1 C11 C12 -3.8(6) . . . . ?
C8 Fe1 C11 C12 159.2(6) . . . . ?
C2 Fe1 C11 C12 72.3(8) . . . . ?
C7 Fe1 C11 C12 121.0(7) . . . . ?
C3 Fe1 C11 C12 -77.6(10) . . . . ?
C9 Fe1 C11 C12 -157.5(6) . . . . ?
C4 Fe1 C11 C12 -45.4(6) . . . . ?
Pt1 O3 C12 O4 10.9(8) . . . . ?
Pt1 O3 C12 C11 -167.2(3) . . . . ?
C10 C11 C12 O4 -2.9(9) . . . . ?
C7 C11 C12 O4 177.7(5) . . . . ?
Fe1 C11 C12 O4 87.0(7) . . . . ?
C10 C11 C12 O3 175.4(5) . . . . ?
C7 C11 C12 O3 -4.0(8) . . . . ?
Fe1 C11 C12 O3 -94.7(6) . . . . ?
O3 Pt1 C13 C26 21(3) . . . . ?
P1' Pt1 C13 C26 -83.5(5) . . . . ?
P2 Pt1 C13 C26 87.0(4) . . . . ?
P1 Pt1 C13 C26 -100.0(4) . . . . ?
O3 Pt1 C13 C14 -159(3) . . . . ?
P1' Pt1 C13 C14 96.9(5) . . . . ?
P2 Pt1 C13 C14 -92.7(5) . . . . ?
P1 Pt1 C13 C14 80.4(5) . . . . ?
C26 C13 C14 C15 2.0(8) . . . . ?
Pt1 C13 C14 C15 -178.4(5) . . . . ?
C13 C14 C15 C16 -1.9(9) . . . . ?
C14 C15 C16 C25 -0.9(9) . . . . ?
C14 C15 C16 C17 -180.0(6) . . . . ?
C15 C16 C17 C18 179.5(6) . . . . ?
C25 C16 C17 C18 0.4(8) . . . . ?
C16 C17 C18 C19 -0.8(9) . . . . ?
C17 C18 C19 C20 -179.7(6) . . . . ?
C17 C18 C19 C24 -0.4(8) . . . . ?
C24 C19 C20 C21 1.2(9) . . . . ?
C18 C19 C20 C21 -179.5(5) . . . . ?
C19 C20 C21 C22 -2.8(9) . . . . ?
C20 C21 C22 C23 2.1(8) . . . . ?
C20 C21 C22 Pt2 177.6(4) . . . . ?
O1 Pt2 C22 C23 3(2) 2_755 . . . ?
P3 Pt2 C22 C23 81.9(4) . . . . ?
P4 Pt2 C22 C23 -103.8(4) . . . . ?
O1 Pt2 C22 C21 -172.1(17) 2_755 . . . ?
P3 Pt2 C22 C21 -93.5(5) . . . . ?
P4 Pt2 C22 C21 80.9(5) . . . . ?
C21 C22 C23 C24 0.0(8) . . . . ?
Pt2 C22 C23 C24 -175.5(4) . . . . ?
C20 C19 C24 C23 0.9(8) . . . . ?
C18 C19 C24 C23 -178.5(5) . . . . ?
C20 C19 C24 C25 -178.7(5) . . . . ?
C18 C19 C24 C25 1.9(8) . . . . ?
C22 C23 C24 C19 -1.5(8) . . . . ?
C22 C23 C24 C25 178.1(5) . . . . ?
C15 C16 C25 C26 3.4(8) . . . . ?
C17 C16 C25 C26 -177.5(5) . . . . ?
C15 C16 C25 C24 -177.9(5) . . . . ?
C17 C16 C25 C24 1.2(8) . . . . ?
C19 C24 C25 C26 176.3(5) . . . . ?
C23 C24 C25 C26 -3.3(8) . . . . ?
C19 C24 C25 C16 -2.3(7) . . . . ?
C23 C24 C25 C16 178.1(5) . . . . ?
C14 C13 C26 C25 0.7(8) . . . . ?
Pt1 C13 C26 C25 -179.0(4) . . . . ?
C16 C25 C26 C13 -3.4(8) . . . . ?
C24 C25 C26 C13 178.0(5) . . . . ?
C31' P1' C27 C28' 43(3) . . . . ?
C29' P1' C27 C28' -65(3) . . . . ?
Pt1 P1' C27 C28' 175(3) . . . . ?
C31' P1' C27 C28 -37.1(11) . . . . ?
C29' P1' C27 C28 -145.1(11) . . . . ?
Pt1 P1' C27 C28 95.3(8) . . . . ?
C31' P1' C27 P1 147.7(10) . . . . ?
C29' P1' C27 P1 39.8(9) . . . . ?
Pt1 P1' C27 P1 -79.9(6) . . . . ?
C31 P1 C27 C28' 30(3) . . . . ?
C29 P1 C27 C28' -79(3) . . . . ?
Pt1 P1 C27 C28' 158(3) . . . . ?
C31 P1 C27 C28 -67.1(9) . . . . ?
C29 P1 C27 C28 -176.3(9) . . . . ?
Pt1 P1 C27 C28 60.4(9) . . . . ?
C31 P1 C27 P1' -61.9(6) . . . . ?
C29 P1 C27 P1' -171.1(7) . . . . ?
Pt1 P1 C27 P1' 65.6(5) . . . . ?
C31 P1 C29 C30 67.2(9) . . . . ?
C27 P1 C29 C30 -179.8(8) . . . . ?
Pt1 P1 C29 C30 -57.2(9) . . . . ?
C27 P1 C31 C32 -50.8(10) . . . . ?
C29 P1 C31 C32 55.0(10) . . . . ?
Pt1 P1 C31 C32 -179.1(8) . . . . ?
C31' P1' C29' C30' 176(2) . . . . ?
C27 P1' C29' C30' -74(2) . . . . ?
Pt1 P1' C29' C30' 52(2) . . . . ?
C27 P1' C31' C32' 75(2) . . . . ?
C29' P1' C31' C32' -179(2) . . . . ?
Pt1 P1' C31' C32' -59(2) . . . . ?
C35 P2 C33 C34 155.9(6) . . . . ?
C37 P2 C33 C34 50.4(7) . . . . ?
Pt1 P2 C33 C34 -80.5(5) . . . . ?
C33 P2 C35 C36 65.3(8) . . . . ?
C37 P2 C35 C36 175.6(7) . . . . ?
Pt1 P2 C35 C36 -63.6(8) . . . . ?
C33 P2 C37 C38 -88.9(8) . . . . ?
C35 P2 C37 C38 162.6(8) . . . . ?
Pt1 P2 C37 C38 44.6(8) . . . . ?
C43 P3 C39 C40 -177.2(5) . . . . ?
C41 P3 C39 C40 72.7(6) . . . . ?
Pt2 P3 C39 C40 -56.0(5) . . . . ?
C39 P3 C41 C42 55.1(8) . . . . ?
C43 P3 C41 C42 -52.6(8) . . . . ?
Pt2 P3 C41 C42 178.7(6) . . . . ?
C39 P3 C43 C44 -163.8(7) . . . . ?
C41 P3 C43 C44 -53.7(8) . . . . ?
Pt2 P3 C43 C44 77.7(8) . . . . ?
C49 P4 C45 C46 177.7(6) . . . . ?
C47 P4 C45 C46 66.4(6) . . . . ?
Pt2 P4 C45 C46 -58.0(6) . . . . ?
C49 P4 C47 C48 -53.2(8) . . . . ?
C45 P4 C47 C48 56.8(8) . . . . ?
Pt2 P4 C47 C48 -179.5(6) . . . . ?
C45 P4 C49 C50 -169.4(10) . . . . ?
C47 P4 C49 C50 -59.2(11) . . . . ?
Pt2 P4 C49 C50 67.0(10) . . . . ?
C45 P4 C49 C50' -75(2) . . . . ?
C47 P4 C49 C50' 35(2) . . . . ?
Pt2 P4 C49 C50' 161(2) . . . . ?
