#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:49:35 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179709 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/12/7001203.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_7001203
loop_
_publ_author_name
'Díez, Álvaro'
'Lalinde, Elena'
'Teresa Moreno, M.'
'Sánchez, Sergio'
_publ_section_title
;
 Platinum complexes having redox-active PPh2CCFc and/or
 CCFc as terminal or bridging ligands
;
_journal_issue                   18
_journal_name_full               'Dalton Transactions'
_journal_page_first              3434
_journal_page_last               3446
_journal_paper_doi               10.1039/b822171e
_journal_year                    2009
_chemical_formula_sum            'C61 H39 Cl3 F10 Fe2 P2 Pt'
_chemical_formula_weight         1437
_chemical_name_common            s42
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2007-06-04T17:31:49-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 110.0390(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.3213(3)
_cell_length_b                   13.3744(2)
_cell_length_c                   21.9589(3)
_cell_measurement_reflns_used    13336
_cell_measurement_temperature    173.0(10)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.27
_cell_volume                     5606.79(14)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173.0(10)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       'by Bruker AXS Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      -0.0137082
_diffrn_orient_matrix_UB_12      -0.0652196
_diffrn_orient_matrix_UB_13      0.0144655
_diffrn_orient_matrix_UB_21      -0.049317
_diffrn_orient_matrix_UB_22      0.0242905
_diffrn_orient_matrix_UB_23      -0.0115621
_diffrn_orient_matrix_UB_31      -0.0111198
_diffrn_orient_matrix_UB_32      -0.0273292
_diffrn_orient_matrix_UB_33      -0.0447976
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_unetI/netI     0.0395
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            12763
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    3.273
_exptl_absorpt_correction_T_max  0.612
_exptl_absorpt_correction_T_min  0.309
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2824
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.681
_refine_diff_density_min         -1.209
_refine_diff_density_rms         0.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     742
_refine_ls_number_reflns         12763
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.072
_refine_ls_R_factor_gt           0.0483
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+30.7097P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0786
_refine_ls_wR_factor_ref         0.0881
_reflns_number_gt                10267
_reflns_number_total             12763
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b822171e.txt
_cod_data_source_block           complex1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      P21/n
_cod_database_code               7001203
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
C1 C -0.0116(3) 0.0471(4) 0.8651(2) 0.0280(11) Uani 1 1 d . . .
C2 C -0.0650(3) 0.0220(4) 0.8080(3) 0.0365(13) Uani 1 1 d . . .
H2 H -0.0738 0.0614 0.7712 0.044 Uiso 1 1 calc R . .
C3 C -0.1052(3) -0.0630(4) 0.8065(3) 0.0430(14) Uani 1 1 d . . .
H3 H -0.1414 -0.0798 0.7687 0.052 Uiso 1 1 calc R . .
C4 C -0.0916(3) -0.1221(5) 0.8606(3) 0.0463(15) Uani 1 1 d . . .
H4 H -0.1186 -0.1787 0.859 0.056 Uiso 1 1 calc R . .
C5 C -0.0385(3) -0.0984(4) 0.9170(3) 0.0435(15) Uani 1 1 d . . .
H5 H -0.0294 -0.1389 0.9534 0.052 Uiso 1 1 calc R . .
C6 C 0.0017(3) -0.0136(4) 0.9194(3) 0.0353(12) Uani 1 1 d . . .
H6 H 0.0377 0.0027 0.9575 0.042 Uiso 1 1 calc R . .
C7 C 0.0087(3) 0.2428(4) 0.9217(2) 0.0337(12) Uani 1 1 d . . .
C8 C 0.0564(4) 0.3019(4) 0.9681(3) 0.0486(16) Uani 1 1 d . . .
H8 H 0.1039 0.2992 0.9739 0.058 Uiso 1 1 calc R . .
C9 C 0.0321(6) 0.3653(5) 1.0059(4) 0.073(2) Uani 1 1 d . . .
H9 H 0.0637 0.405 1.0373 0.088 Uiso 1 1 calc R . .
C10 C -0.0377(6) 0.3702(6) 0.9975(4) 0.080(3) Uani 1 1 d . . .
H10 H -0.0532 0.4127 1.0233 0.096 Uiso 1 1 calc R . .
C11 C -0.0853(5) 0.3121(5) 0.9507(4) 0.068(2) Uani 1 1 d . . .
H11 H -0.1328 0.3159 0.9447 0.081 Uiso 1 1 calc R . .
C12 C -0.0617(4) 0.2483(4) 0.9129(3) 0.0453(15) Uani 1 1 d . . .
H12 H -0.0936 0.2089 0.8815 0.054 Uiso 1 1 calc R . .
C13 C 0.1236(3) 0.1310(4) 0.9206(2) 0.0346(13) Uani 1 1 d . . .
C14 C 0.1818(3) 0.1099(4) 0.9548(3) 0.0380(13) Uani 1 1 d . . .
C15 C 0.2503(3) 0.0818(5) 0.9954(3) 0.0408(14) Uani 1 1 d . . .
C16 C 0.2821(3) 0.1082(5) 1.0616(3) 0.0508(17) Uani 1 1 d . . .
H16 H 0.2622 0.1493 1.0847 0.061 Uiso 1 1 calc R . .
C17 C 0.3480(3) 0.0628(5) 1.0867(3) 0.0547(18) Uani 1 1 d . . .
H17 H 0.3786 0.067 1.1292 0.066 Uiso 1 1 calc R . .
C18 C 0.3596(3) 0.0091(6) 1.0353(4) 0.060(2) Uani 1 1 d . . .
H18 H 0.3997 -0.0268 1.0381 0.073 Uiso 1 1 calc R . .
C19 C 0.2993(3) 0.0199(5) 0.9790(3) 0.0507(16) Uani 1 1 d . . .
H19 H 0.2928 -0.0083 0.9386 0.061 Uiso 1 1 calc R . .
C20 C 0.2901(4) -0.1892(5) 1.0803(4) 0.060(2) Uani 1 1 d . . .
H20 H 0.3317 -0.2243 1.0887 0.072 Uiso 1 1 calc R . .
C21 C 0.2355(4) -0.1838(5) 1.0199(4) 0.0592(18) Uani 1 1 d . . .
H21 H 0.2348 -0.2147 0.9818 0.071 Uiso 1 1 calc R . .
C22 C 0.1824(3) -0.1237(5) 1.0275(4) 0.0585(19) Uani 1 1 d . . .
H22 H 0.1403 -0.1073 0.9953 0.07 Uiso 1 1 calc R . .
C23 C 0.2043(4) -0.0923(6) 1.0933(4) 0.068(2) Uani 1 1 d . . .
H23 H 0.1792 -0.052 1.112 0.082 Uiso 1 1 calc R . .
C24 C 0.2717(4) -0.1339(6) 1.1250(4) 0.063(2) Uani 1 1 d . . .
H24 H 0.2988 -0.1254 1.1684 0.075 Uiso 1 1 calc R . .
C25 C 0.2008(3) 0.1907(4) 0.8067(2) 0.0337(12) Uani 1 1 d . . .
C26 C 0.2025(3) 0.2914(6) 0.8199(3) 0.0546(18) Uani 1 1 d . . .
H26 H 0.1609 0.3274 0.8071 0.066 Uiso 1 1 calc R . .
C27 C 0.2651(4) 0.3402(7) 0.8520(4) 0.072(2) Uani 1 1 d . . .
H27 H 0.266 0.4091 0.858 0.086 Uiso 1 1 calc R . .
C28 C 0.3247(4) 0.2863(8) 0.8745(3) 0.078(3) Uani 1 1 d . . .
H28 H 0.3664 0.3184 0.8975 0.093 Uiso 1 1 calc R . .
C29 C 0.3254(4) 0.1862(8) 0.8643(4) 0.077(3) Uani 1 1 d . . .
H29 H 0.367 0.1506 0.8809 0.092 Uiso 1 1 calc R . .
C30 C 0.2624(3) 0.1355(6) 0.8284(3) 0.0518(18) Uani 1 1 d . . .
H30 H 0.2625 0.0675 0.8197 0.062 Uiso 1 1 calc R . .
C31 C 0.1214(3) 0.1150(5) 0.6801(3) 0.0418(15) Uani 1 1 d . . .
C32 C 0.1551(3) 0.1829(7) 0.6546(3) 0.065(2) Uani 1 1 d . . .
H32 H 0.1794 0.2361 0.6796 0.078 Uiso 1 1 calc R . .
C33 C 0.1528(5) 0.1719(10) 0.5907(4) 0.102(4) Uani 1 1 d . . .
H33 H 0.1768 0.2166 0.5735 0.122 Uiso 1 1 calc R . .
C34 C 0.1149(6) 0.0946(12) 0.5531(4) 0.123(6) Uani 1 1 d . . .
H34 H 0.1123 0.0882 0.5101 0.148 Uiso 1 1 calc R . .
C35 C 0.0815(6) 0.0281(8) 0.5789(4) 0.107(5) Uani 1 1 d . . .
H35 H 0.0561 -0.0239 0.5533 0.128 Uiso 1 1 calc R . .
C36 C 0.0844(4) 0.0362(5) 0.6422(3) 0.070(2) Uani 1 1 d . . .
H36 H 0.062 -0.0106 0.6595 0.083 Uiso 1 1 calc R . .
C37 C 0.1243(3) 0.0090(4) 0.7900(3) 0.0379(13) Uani 1 1 d . . .
C38 C 0.1224(3) -0.0782(4) 0.8017(3) 0.0370(13) Uani 1 1 d . . .
C39 C 0.1232(3) -0.1832(4) 0.8138(3) 0.0354(13) Uani 1 1 d . . .
C40 C 0.0879(3) -0.2351(5) 0.8504(3) 0.0447(15) Uani 1 1 d . . .
H40 H 0.0621 -0.2061 0.8736 0.054 Uiso 1 1 calc R . .
C41 C 0.0992(4) -0.3384(5) 0.8450(3) 0.0539(18) Uani 1 1 d . . .
H41 H 0.0823 -0.3893 0.8645 0.065 Uiso 1 1 calc R . .
C42 C 0.1400(4) -0.3515(5) 0.8053(3) 0.0523(18) Uani 1 1 d . . .
H42 H 0.1546 -0.4124 0.7939 0.063 Uiso 1 1 calc R . .
C43 C 0.1550(3) -0.2562(4) 0.7856(3) 0.0416(14) Uani 1 1 d . . .
H43 H 0.181 -0.2434 0.759 0.05 Uiso 1 1 calc R . .
C44 C 0.0032(3) -0.2349(5) 0.6601(3) 0.0482(15) Uani 1 1 d . . .
H44 H 0.024 -0.1985 0.6355 0.058 Uiso 1 1 calc R . .
C45 C -0.0338(3) -0.1951(5) 0.6989(3) 0.0514(17) Uani 1 1 d . . .
H45 H -0.0411 -0.1276 0.7045 0.062 Uiso 1 1 calc R . .
C46 C -0.0576(3) -0.2749(6) 0.7272(3) 0.0549(17) Uani 1 1 d . . .
H46 H -0.0839 -0.2693 0.7544 0.066 Uiso 1 1 calc R . .
C47 C -0.0345(3) -0.3661(5) 0.7072(3) 0.0505(17) Uani 1 1 d . . .
H47 H -0.0427 -0.4303 0.7194 0.061 Uiso 1 1 calc R . .
C48 C 0.0027(3) -0.3416(5) 0.6660(3) 0.0476(16) Uani 1 1 d . . .
H48 H 0.0234 -0.3868 0.6459 0.057 Uiso 1 1 calc R . .
C49 C -0.0542(3) 0.3165(4) 0.7713(3) 0.0344(12) Uani 1 1 d . . .
C50 C -0.0408(3) 0.4060(4) 0.8044(3) 0.0392(14) Uani 1 1 d . . .
C51 C -0.0931(5) 0.4706(5) 0.8070(3) 0.058(2) Uani 1 1 d . . .
C52 C -0.1620(5) 0.4444(7) 0.7756(4) 0.074(2) Uani 1 1 d . . .
C53 C -0.1777(4) 0.3562(7) 0.7431(4) 0.068(2) Uani 1 1 d . . .
C54 C -0.1246(3) 0.2938(5) 0.7405(3) 0.0466(16) Uani 1 1 d . . .
C55 C 0.0076(3) 0.2740(4) 0.6755(2) 0.0273(10) Uani 1 1 d . . .
C56 C 0.0360(3) 0.3594(4) 0.6601(3) 0.0369(13) Uani 1 1 d . . .
C57 C 0.0302(4) 0.3845(5) 0.5972(3) 0.0536(18) Uani 1 1 d . . .
C58 C -0.0058(4) 0.3225(5) 0.5474(3) 0.0544(19) Uani 1 1 d . . .
C59 C -0.0359(3) 0.2389(5) 0.5605(3) 0.0482(17) Uani 1 1 d . . .
C60 C -0.0288(3) 0.2153(4) 0.6238(3) 0.0380(13) Uani 1 1 d . . .
F1 F 0.0263(2) 0.4340(2) 0.83633(18) 0.0511(9) Uani 1 1 d . . .
F2 F -0.0767(3) 0.5572(3) 0.8397(2) 0.0826(14) Uani 1 1 d . . .
F3 F -0.2133(3) 0.5071(5) 0.7776(3) 0.116(2) Uani 1 1 d . . .
F4 F -0.2450(2) 0.3305(5) 0.7124(3) 0.109(2) Uani 1 1 d . . .
F5 F -0.14335(18) 0.2089(3) 0.70691(18) 0.0630(11) Uani 1 1 d . . .
F6 F 0.0731(2) 0.4226(2) 0.70754(18) 0.0594(11) Uani 1 1 d . . .
F7 F 0.0609(3) 0.4673(3) 0.5854(2) 0.0893(16) Uani 1 1 d . . .
F8 F -0.0106(3) 0.3450(4) 0.48643(18) 0.0854(15) Uani 1 1 d . . .
F9 F -0.0707(2) 0.1767(4) 0.51184(17) 0.0829(14) Uani 1 1 d . . .
F10 F -0.05874(19) 0.1288(3) 0.63286(16) 0.0546(10) Uani 1 1 d . . .
Fe1 Fe 0.27260(4) -0.04322(6) 1.05061(4) 0.0393(2) Uani 1 1 d . . .
Fe2 Fe 0.04925(4) -0.27695(6) 0.75560(4) 0.03770(18) Uani 1 1 d . . .
P1 P 0.03843(7) 0.16207(10) 0.86951(6) 0.0263(3) Uani 1 1 d . . .
P2 P 0.11820(7) 0.13193(10) 0.76170(6) 0.0275(3) Uani 1 1 d . . .
Pt1 Pt 0.026146(10) 0.223331(14) 0.768940(9) 0.02186(5) Uani 1 1 d . . .
C99A C 0.7739(8) 1.0658(12) 0.5700(7) 0.096(6) Uani 0.6 1 d PD A 1
H99A H 0.8119 1.1151 0.5835 0.115 Uiso 0.6 1 calc PR A 1
Cl1A Cl 0.8157(5) 0.9557(5) 0.6004(4) 0.103(2) Uani 0.6 1 d PD A 1
Cl2A Cl 0.7131(3) 1.1158(4) 0.5962(2) 0.1058(14) Uani 0.6 1 d PD A 1
Cl3A Cl 0.7449(8) 1.0753(15) 0.4891(5) 0.391(12) Uani 0.6 1 d PD A 1
C99B C 0.7866(10) 1.0306(13) 0.5347(10) 0.096(6) Uani 0.4 1 d PD B 2
H99B H 0.8299 1.0265 0.5246 0.115 Uiso 0.4 1 calc PR B 2
Cl1B Cl 0.7863(11) 0.9577(16) 0.6000(11) 0.227(11) Uani 0.4 1 d PD B 2
Cl2B Cl 0.7623(5) 1.1485(7) 0.5460(8) 0.206(7) Uani 0.4 1 d PD B 2
Cl3B Cl 0.7146(3) 0.9766(5) 0.4774(3) 0.0794(18) Uani 0.4 1 d PD B 2
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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
C2 C1 C6 119.7(5) . . ?
C2 C1 P1 120.0(4) . . ?
C6 C1 P1 120.3(4) . . ?
C1 C2 C3 119.2(5) . . ?
C4 C3 C2 120.4(6) . . ?
C5 C4 C3 120.7(5) . . ?
C4 C5 C6 119.6(5) . . ?
C5 C6 C1 120.4(5) . . ?
C12 C7 C8 120.1(6) . . ?
C12 C7 P1 119.7(4) . . ?
C8 C7 P1 120.1(5) . . ?
C7 C8 C9 119.0(7) . . ?
C10 C9 C8 120.9(8) . . ?
C9 C10 C11 120.1(7) . . ?
C10 C11 C12 119.7(8) . . ?
C7 C12 C11 120.3(7) . . ?
C14 C13 P1 179.4(5) . . ?
C13 C14 C15 178.3(6) . . ?
C16 C15 C14 125.5(6) . . ?
C16 C15 C19 106.8(5) . . ?
C14 C15 C19 127.6(6) . . ?
C16 C15 Fe1 70.2(3) . . ?
C14 C15 Fe1 124.3(4) . . ?
C19 C15 Fe1 68.9(3) . . ?
C17 C16 C15 109.5(6) . . ?
C17 C16 Fe1 69.8(4) . . ?
C15 C16 Fe1 69.0(4) . . ?
C16 C17 C18 107.6(6) . . ?
C16 C17 Fe1 70.0(4) . . ?
C18 C17 Fe1 69.4(4) . . ?
C19 C18 C17 108.2(6) . . ?
C19 C18 Fe1 68.9(4) . . ?
C17 C18 Fe1 69.7(4) . . ?
C18 C19 C15 107.9(6) . . ?
C18 C19 Fe1 70.2(4) . . ?
C15 C19 Fe1 69.5(3) . . ?
C24 C20 C21 109.0(7) . . ?
C24 C20 Fe1 69.9(4) . . ?
C21 C20 Fe1 69.9(4) . . ?
C22 C21 C20 107.9(7) . . ?
C22 C21 Fe1 69.3(4) . . ?
C20 C21 Fe1 69.8(4) . . ?
C21 C22 C23 107.8(6) . . ?
C21 C22 Fe1 70.6(4) . . ?
C23 C22 Fe1 69.4(4) . . ?
C22 C23 C24 107.2(7) . . ?
C22 C23 Fe1 69.7(4) . . ?
C24 C23 Fe1 69.9(4) . . ?
C20 C24 C23 108.2(7) . . ?
C20 C24 Fe1 70.7(4) . . ?
C23 C24 Fe1 69.2(4) . . ?
C26 C25 C30 119.5(6) . . ?
C26 C25 P2 119.4(4) . . ?
C30 C25 P2 121.0(5) . . ?
C25 C26 C27 121.3(7) . . ?
C28 C27 C26 119.0(9) . . ?
C27 C28 C29 121.7(7) . . ?
C28 C29 C30 120.2(7) . . ?
C25 C30 C29 118.1(7) . . ?
C32 C31 C36 120.1(6) . . ?
C32 C31 P2 120.7(5) . . ?
C36 C31 P2 119.1(6) . . ?
C31 C32 C33 119.5(9) . . ?
C34 C33 C32 120.0(10) . . ?
C35 C34 C33 119.9(9) . . ?
C34 C35 C36 121.1(10) . . ?
C35 C36 C31 119.5(9) . . ?
C38 C37 P2 171.6(5) . . ?
C37 C38 C39 176.4(7) . . ?
C43 C39 C38 125.0(6) . . ?
C43 C39 C40 107.5(5) . . ?
C38 C39 C40 127.3(6) . . ?
C43 C39 Fe2 69.6(3) . . ?
C38 C39 Fe2 122.0(4) . . ?
C40 C39 Fe2 69.4(3) . . ?
C41 C40 C39 107.4(6) . . ?
C41 C40 Fe2 70.2(4) . . ?
C39 C40 Fe2 69.5(3) . . ?
C42 C41 C40 108.8(6) . . ?
C42 C41 Fe2 70.1(4) . . ?
C40 C41 Fe2 69.3(3) . . ?
C41 C42 C43 108.1(6) . . ?
C41 C42 Fe2 69.8(4) . . ?
C43 C42 Fe2 69.3(3) . . ?
C42 C43 C39 108.1(6) . . ?
C42 C43 Fe2 70.3(4) . . ?
C39 C43 Fe2 69.5(3) . . ?
C45 C44 C48 107.3(6) . . ?
C45 C44 Fe2 69.0(4) . . ?
C48 C44 Fe2 69.6(4) . . ?
C46 C45 C44 108.4(6) . . ?
C46 C45 Fe2 70.1(4) . . ?
C44 C45 Fe2 70.5(4) . . ?
C45 C46 C47 108.3(6) . . ?
C45 C46 Fe2 69.7(4) . . ?
C47 C46 Fe2 69.9(4) . . ?
C48 C47 C46 107.7(6) . . ?
C48 C47 Fe2 70.3(3) . . ?
C46 C47 Fe2 69.3(3) . . ?
C47 C48 C44 108.3(6) . . ?
C47 C48 Fe2 69.8(3) . . ?
C44 C48 Fe2 69.7(3) . . ?
C50 C49 C54 115.5(5) . . ?
C50 C49 Pt1 121.4(4) . . ?
C54 C49 Pt1 123.1(4) . . ?
F1 C50 C49 119.7(5) . . ?
F1 C50 C51 117.1(6) . . ?
C49 C50 C51 123.2(6) . . ?
F2 C51 C52 120.7(7) . . ?
F2 C51 C50 120.4(7) . . ?
C52 C51 C50 118.9(7) . . ?
F3 C52 C53 120.8(8) . . ?
F3 C52 C51 119.3(8) . . ?
C53 C52 C51 119.9(7) . . ?
F4 C53 C52 119.9(7) . . ?
F4 C53 C54 119.9(8) . . ?
C52 C53 C54 120.1(7) . . ?
F5 C54 C53 117.3(6) . . ?
F5 C54 C49 120.3(5) . . ?
C53 C54 C49 122.4(7) . . ?
C60 C55 C56 115.2(5) . . ?
C60 C55 Pt1 119.8(4) . . ?
C56 C55 Pt1 124.6(4) . . ?
F6 C56 C55 120.0(5) . . ?
F6 C56 C57 116.8(5) . . ?
C55 C56 C57 123.2(6) . . ?
F7 C57 C58 120.3(6) . . ?
F7 C57 C56 120.4(6) . . ?
C58 C57 C56 119.3(6) . . ?
F8 C58 C59 121.0(7) . . ?
F8 C58 C57 119.8(7) . . ?
C59 C58 C57 119.3(5) . . ?
F9 C59 C58 119.6(6) . . ?
F9 C59 C60 120.1(6) . . ?
C58 C59 C60 120.3(6) . . ?
F10 C60 C55 120.7(5) . . ?
F10 C60 C59 116.5(5) . . ?
C55 C60 C59 122.8(6) . . ?
C19 Fe1 C15 41.6(3) . . ?
C19 Fe1 C23 154.7(3) . . ?
C15 Fe1 C23 119.7(3) . . ?
C19 Fe1 C18 41.0(3) . . ?
C15 Fe1 C18 69.2(3) . . ?
C23 Fe1 C18 163.3(3) . . ?
C19 Fe1 C22 119.2(3) . . ?
C15 Fe1 C22 106.9(3) . . ?
C23 Fe1 C22 40.9(3) . . ?
C18 Fe1 C22 154.3(3) . . ?
C19 Fe1 C17 69.2(3) . . ?
C15 Fe1 C17 69.0(2) . . ?
C23 Fe1 C17 126.0(3) . . ?
C18 Fe1 C17 40.9(3) . . ?
C22 Fe1 C17 163.4(3) . . ?
C19 Fe1 C24 162.2(3) . . ?
C15 Fe1 C24 155.5(3) . . ?
C23 Fe1 C24 40.8(3) . . ?
C18 Fe1 C24 125.7(3) . . ?
C22 Fe1 C24 68.3(3) . . ?
C17 Fe1 C24 108.3(3) . . ?
C19 Fe1 C16 68.7(3) . . ?
C15 Fe1 C16 40.8(2) . . ?
C23 Fe1 C16 108.6(3) . . ?
C18 Fe1 C16 68.0(3) . . ?
C22 Fe1 C16 126.5(3) . . ?
C17 Fe1 C16 40.1(3) . . ?
C24 Fe1 C16 121.5(3) . . ?
C19 Fe1 C20 125.7(3) . . ?
C15 Fe1 C20 163.0(3) . . ?
C23 Fe1 C20 67.4(3) . . ?
C18 Fe1 C20 108.4(3) . . ?
C22 Fe1 C20 67.6(3) . . ?
C17 Fe1 C20 120.9(3) . . ?
C24 Fe1 C20 39.4(3) . . ?
C16 Fe1 C20 155.3(3) . . ?
C19 Fe1 C21 107.1(3) . . ?
C15 Fe1 C21 125.4(3) . . ?
C23 Fe1 C21 67.8(3) . . ?
C18 Fe1 C21 120.2(3) . . ?
C22 Fe1 C21 40.1(3) . . ?
C17 Fe1 C21 155.2(3) . . ?
C24 Fe1 C21 67.4(3) . . ?
C16 Fe1 C21 163.2(3) . . ?
C20 Fe1 C21 40.2(3) . . ?
C40 Fe2 C39 41.1(2) . . ?
C40 Fe2 C43 68.7(3) . . ?
C39 Fe2 C43 40.9(2) . . ?
C40 Fe2 C45 115.2(3) . . ?
C39 Fe2 C45 109.4(2) . . ?
C43 Fe2 C45 133.2(3) . . ?
C40 Fe2 C46 107.8(3) . . ?
C39 Fe2 C46 131.4(3) . . ?
C43 Fe2 C46 171.3(3) . . ?
C45 Fe2 C46 40.1(3) . . ?
C40 Fe2 C41 40.5(2) . . ?
C39 Fe2 C41 68.2(2) . . ?
C43 Fe2 C41 67.9(3) . . ?
C45 Fe2 C41 146.7(3) . . ?
C46 Fe2 C41 115.1(3) . . ?
C40 Fe2 C42 68.2(3) . . ?
C39 Fe2 C42 68.3(2) . . ?
C43 Fe2 C42 40.4(2) . . ?
C45 Fe2 C42 172.4(3) . . ?
C46 Fe2 C42 146.8(3) . . ?
C41 Fe2 C42 40.1(3) . . ?
C40 Fe2 C47 130.5(3) . . ?
C39 Fe2 C47 170.3(3) . . ?
C43 Fe2 C47 147.4(3) . . ?
C45 Fe2 C47 68.2(3) . . ?
C46 Fe2 C47 40.9(3) . . ?
C41 Fe2 C47 108.3(3) . . ?
C42 Fe2 C47 115.3(3) . . ?
C40 Fe2 C48 169.3(3) . . ?
C39 Fe2 C48 149.0(3) . . ?
C43 Fe2 C48 117.1(3) . . ?
C45 Fe2 C48 68.2(3) . . ?
C46 Fe2 C48 67.8(3) . . ?
C41 Fe2 C48 131.5(3) . . ?
C42 Fe2 C48 109.8(3) . . ?
C47 Fe2 C48 39.9(3) . . ?
C40 Fe2 C44 147.9(3) . . ?
C39 Fe2 C44 116.8(2) . . ?
C43 Fe2 C44 110.7(3) . . ?
C45 Fe2 C44 40.5(3) . . ?
C46 Fe2 C44 67.7(3) . . ?
C41 Fe2 C44 171.2(3) . . ?
C42 Fe2 C44 133.3(3) . . ?
C47 Fe2 C44 68.0(3) . . ?
C48 Fe2 C44 40.7(2) . . ?
C13 P1 C7 101.9(3) . . ?
C13 P1 C1 104.1(2) . . ?
C7 P1 C1 103.5(2) . . ?
C13 P1 Pt1 117.23(19) . . ?
C7 P1 Pt1 116.40(17) . . ?
C1 P1 Pt1 112.05(17) . . ?
C37 P2 C25 106.0(3) . . ?
C37 P2 C31 102.1(3) . . ?
C25 P2 C31 104.5(3) . . ?
C37 P2 Pt1 116.0(2) . . ?
C25 P2 Pt1 110.99(19) . . ?
C31 P2 Pt1 116.06(17) . . ?
C49 Pt1 C55 87.2(2) . . ?
C49 Pt1 P2 174.77(16) . . ?
C55 Pt1 P2 88.95(13) . . ?
C49 Pt1 P1 91.00(15) . . ?
C55 Pt1 P1 175.68(15) . . ?
P2 Pt1 P1 93.12(5) . . ?
Cl2A C99A Cl3A 107.6(7) . . ?
Cl2A C99A Cl1A 122.3(9) . . ?
Cl3A C99A Cl1A 115.2(11) . . ?
Cl2B C99B Cl3B 106.2(10) . . ?
Cl2B C99B Cl1B 108.5(15) . . ?
Cl3B C99B Cl1B 97.2(13) . . ?
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
C1 C2 1.389(7) . ?
C1 C6 1.390(7) . ?
C1 P1 1.828(5) . ?
C2 C3 1.393(8) . ?
C3 C4 1.373(8) . ?
C4 C5 1.372(9) . ?
C5 C6 1.387(8) . ?
C7 C12 1.380(8) . ?
C7 C8 1.388(8) . ?
C7 P1 1.821(6) . ?
C8 C9 1.390(10) . ?
C9 C10 1.369(12) . ?
C10 C11 1.383(12) . ?
C11 C12 1.385(9) . ?
C13 C14 1.197(7) . ?
C13 P1 1.760(6) . ?
C14 C15 1.422(8) . ?
C15 C16 1.417(8) . ?
C15 C19 1.433(9) . ?
C15 Fe1 2.024(6) . ?
C16 C17 1.400(9) . ?
C16 Fe1 2.041(6) . ?
C17 C18 1.424(10) . ?
C17 Fe1 2.038(6) . ?
C18 C19 1.418(9) . ?
C18 Fe1 2.034(7) . ?
C19 Fe1 2.017(6) . ?
C20 C24 1.377(10) . ?
C20 C21 1.410(10) . ?
C20 Fe1 2.050(7) . ?
C21 C22 1.400(10) . ?
C21 Fe1 2.052(7) . ?
C22 C23 1.420(11) . ?
C22 Fe1 2.034(6) . ?
C23 C24 1.421(10) . ?
C23 Fe1 2.031(7) . ?
C24 Fe1 2.040(7) . ?
C25 C26 1.376(9) . ?
C25 C30 1.389(8) . ?
C25 P2 1.810(5) . ?
C26 C27 1.388(9) . ?
C27 C28 1.350(12) . ?
C28 C29 1.358(12) . ?
C29 C30 1.423(10) . ?
C31 C32 1.368(10) . ?
C31 C36 1.393(9) . ?
C31 P2 1.830(6) . ?
C32 C33 1.395(10) . ?
C33 C34 1.382(16) . ?
C34 C35 1.355(17) . ?
C35 C36 1.375(11) . ?
C37 C38 1.197(8) . ?
C37 P2 1.747(6) . ?
C38 C39 1.428(8) . ?
C39 C43 1.422(8) . ?
C39 C40 1.429(8) . ?
C39 Fe2 2.037(5) . ?
C40 C41 1.412(9) . ?
C40 Fe2 2.036(6) . ?
C41 C42 1.405(10) . ?
C41 Fe2 2.047(6) . ?
C42 C43 1.412(9) . ?
C42 Fe2 2.051(6) . ?
C43 Fe2 2.038(6) . ?
C44 C45 1.418(9) . ?
C44 C48 1.433(9) . ?
C44 Fe2 2.059(6) . ?
C45 C46 1.401(9) . ?
C45 Fe2 2.039(6) . ?
C46 C47 1.429(10) . ?
C46 Fe2 2.044(6) . ?
C47 C48 1.403(9) . ?
C47 Fe2 2.052(6) . ?
C48 Fe2 2.058(6) . ?
C49 C50 1.378(8) . ?
C49 C54 1.392(8) . ?
C49 Pt1 2.068(5) . ?
C50 F1 1.354(7) . ?
C50 C51 1.387(9) . ?
C51 F2 1.343(8) . ?
C51 C52 1.377(11) . ?
C52 F3 1.348(8) . ?
C52 C53 1.360(12) . ?
C53 F4 1.346(9) . ?
C53 C54 1.379(9) . ?
C54 F5 1.336(8) . ?
C55 C60 1.370(7) . ?
C55 C56 1.373(7) . ?
C55 Pt1 2.069(5) . ?
C56 F6 1.353(6) . ?
C56 C57 1.386(8) . ?
C57 F7 1.340(7) . ?
C57 C58 1.367(10) . ?
C58 F8 1.344(7) . ?
C58 C59 1.351(10) . ?
C59 F9 1.348(7) . ?
C59 C60 1.384(8) . ?
C60 F10 1.352(7) . ?
P1 Pt1 2.2876(13) . ?
P2 Pt1 2.2854(13) . ?
C99A Cl2A 1.672(13) . ?
C99A Cl3A 1.673(14) . ?
C99A Cl1A 1.717(13) . ?
C99B Cl2B 1.695(16) . ?
C99B Cl3B 1.727(17) . ?
C99B Cl1B 1.737(18) . ?
