#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179324 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/21/4322110.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_4322110
loop_
_publ_author_name
'Guy N. Richardson'
'Udo Brand'
'Heinrich Vahrenkamp'
_publ_section_title
;
 Linear and Bent M(μ-CN)Pt(μ-CN)M Chains: Probes for Remote Metal-Metal
 Interactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3070
_journal_page_last               3079
_journal_paper_doi               10.1021/ic981384l
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C74 H66 F12 Fe2 N4 P4 Pt Sb2'
_chemical_formula_weight         1913.48
_chemical_name_systematic        cis-[{Cp(dppe)Fe-NC-}2Pt(bipy)](SbF6)2
_space_group_IT_number           169
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 61'
_symmetry_space_group_name_H-M   'P 61'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   32.120(6)
_cell_length_b                   32.120(6)
_cell_length_c                   14.460(3)
_cell_measurement_temperature    293(2)
_cell_volume                     12920(4)
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  STOE-IPDS
_diffrn_measurement_method       'phi-mode, oscillation'
_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  0.1367
_diffrn_reflns_av_sigmaI/netI    0.0959
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            55960
_diffrn_reflns_theta_full        23.31
_diffrn_reflns_theta_max         23.31
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    2.705
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             5628
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.706
_refine_diff_density_min         -0.864
_refine_diff_density_rms         0.120
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.017(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     892
_refine_ls_number_reflns         12101
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0989
_refine_ls_R_factor_gt           0.0635
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0725P)²+14.9519P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1395
_refine_ls_wR_factor_ref         0.1575
_reflns_number_gt                8471
_reflns_number_total             12101
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic981384l_6.cif
_cod_data_source_block           g17
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0725P)^2^+14.9519P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0725P)^2^+14.9519P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4322110
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z+1/6'
'-y, x-y, z+1/3'
'-x, -y, z+1/2'
'-x+y, -x, z+2/3'
'y, -x+y, z+5/6'
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.43953(2) 0.13034(2) 0.50051(5) 0.05174(17) Uani 1 d . . .
Fe1 Fe 0.55808(7) 0.10283(7) 0.67011(15) 0.0416(5) Uani 1 d . . .
Fe2 Fe 0.29570(8) 0.02519(8) 0.69621(17) 0.0569(6) Uani 1 d . . .
P1 P 0.62229(14) 0.16942(13) 0.6270(3) 0.0467(10) Uani 1 d . . .
P2 P 0.56473(14) 0.07168(14) 0.5371(3) 0.0466(10) Uani 1 d . . .
P3 P 0.33420(14) -0.00882(14) 0.7542(3) 0.0504(10) Uani 1 d . . .
P4 P 0.33057(17) 0.08121(16) 0.8031(4) 0.0657(13) Uani 1 d . . .
N1 N 0.5141(5) 0.1193(4) 0.6186(9) 0.048(3) Uani 1 d . . .
N2 N 0.3512(5) 0.0637(5) 0.6206(10) 0.062(4) Uani 1 d . . .
N3 N 0.3987(5) 0.1348(4) 0.3959(11) 0.065(4) Uani 1 d . . .
N4 N 0.4923(5) 0.1732(4) 0.4105(9) 0.052(3) Uani 1 d . . .
C1 C 0.4846(6) 0.1268(5) 0.5814(11) 0.050(4) Uani 1 d . . .
C2 C 0.3863(5) 0.0893(6) 0.5761(13) 0.056(5) Uani 1 d . . .
C3 C 0.5868(6) 0.0816(9) 0.7750(14) 0.077(6) Uani 1 d . . .
H3A H 0.6184 0.0837 0.7758 0.093 Uiso 1 calc R . .
C4 C 0.5752(7) 0.1154(6) 0.8104(12) 0.070(5) Uani 1 d . . .
H4A H 0.5973 0.1463 0.8396 0.084 Uiso 1 calc R . .
C5 C 0.5271(8) 0.0966(7) 0.7957(13) 0.077(6) Uani 1 d . . .
H5A H 0.5094 0.1131 0.8124 0.092 Uiso 1 calc R . .
C6 C 0.5060(7) 0.0517(6) 0.7572(13) 0.070(5) Uani 1 d . . .
H6A H 0.4718 0.0300 0.7441 0.084 Uiso 1 calc R . .
C7 C 0.5438(9) 0.0432(7) 0.7448(11) 0.072(6) Uani 1 d . . .
H7A H 0.5405 0.0137 0.7179 0.086 Uiso 1 calc R . .
C8 C 0.6762(5) 0.1866(5) 0.6947(11) 0.045(4) Uani 1 d . . .
C9 C 0.6879(6) 0.2202(6) 0.7688(12) 0.064(5) Uani 1 d . . .
H9A H 0.6709 0.2364 0.7775 0.076 Uiso 1 calc R . .
C10 C 0.7259(7) 0.2279(6) 0.8280(14) 0.080(6) Uani 1 d . . .
H10A H 0.7343 0.2499 0.8761 0.095 Uiso 1 calc R . .
C11 C 0.7507(5) 0.2042(6) 0.8167(14) 0.067(5) Uani 1 d . . .
H11A H 0.7746 0.2091 0.8587 0.081 Uiso 1 calc R . .
C12 C 0.7407(7) 0.1725(6) 0.7433(15) 0.078(6) Uani 1 d . . .
H12A H 0.7580 0.1567 0.7346 0.094 Uiso 1 calc R . .
C13 C 0.7039(6) 0.1655(6) 0.6838(13) 0.068(5) Uani 1 d . . .
H13A H 0.6977 0.1452 0.6333 0.082 Uiso 1 calc R . .
C14 C 0.6191(5) 0.2237(4) 0.6235(12) 0.051(4) Uani 1 d . . .
C15 C 0.5883(5) 0.2300(5) 0.6821(12) 0.058(4) Uani 1 d . . .
H15A H 0.5687 0.2053 0.7222 0.069 Uiso 1 calc R . .
C16 C 0.5858(7) 0.2711(6) 0.6829(15) 0.076(5) Uani 1 d . . .
H16A H 0.5636 0.2734 0.7207 0.091 Uiso 1 calc R . .
C17 C 0.6166(7) 0.3097(6) 0.6272(14) 0.072(5) Uani 1 d . . .
H17A H 0.6173 0.3389 0.6330 0.086 Uiso 1 calc R . .
C18 C 0.6460(6) 0.3051(6) 0.5635(14) 0.065(5) Uani 1 d . . .
H18A H 0.6639 0.3293 0.5211 0.078 Uiso 1 calc R . .
C19 C 0.6479(6) 0.2626(6) 0.5650(11) 0.059(4) Uani 1 d . . .
H19A H 0.6693 0.2599 0.5255 0.071 Uiso 1 calc R . .
C20 C 0.6395(5) 0.1634(5) 0.5061(11) 0.049(4) Uani 1 d . . .
H20A H 0.6234 0.1734 0.4622 0.059 Uiso 1 calc R . .
H20B H 0.6740 0.1838 0.4979 0.059 Uiso 1 calc R . .
C21 C 0.6250(5) 0.1109(5) 0.4891(12) 0.051(4) Uani 1 d . . .
H21A H 0.6480 0.1038 0.5183 0.061 Uiso 1 calc R . .
H21B H 0.6250 0.1051 0.4232 0.061 Uiso 1 calc R . .
C22 C 0.5616(5) 0.0125(5) 0.5383(11) 0.048(4) Uani 1 d . . .
C23 C 0.5219(5) -0.0284(5) 0.5054(10) 0.048(4) Uani 1 d . . .
H23A H 0.4974 -0.0262 0.4756 0.058 Uiso 1 calc R . .
C24 C 0.5187(7) -0.0727(7) 0.5169(12) 0.072(5) Uani 1 d . . .
H24A H 0.4909 -0.1006 0.4992 0.087 Uiso 1 calc R . .
C25 C 0.5558(7) -0.0755(6) 0.5539(12) 0.060(5) Uani 1 d . . .
H25A H 0.5548 -0.1049 0.5566 0.072 Uiso 1 calc R . .
C26 C 0.5953(7) -0.0347(7) 0.5878(12) 0.063(5) Uani 1 d . . .
H26A H 0.6203 -0.0368 0.6153 0.075 Uiso 1 calc R . .
C27 C 0.5977(6) 0.0087(5) 0.5810(11) 0.049(4) Uani 1 d . . .
H27A H 0.6240 0.0360 0.6055 0.058 Uiso 1 calc R . .
C28 C 0.5229(6) 0.0671(5) 0.4473(11) 0.050(4) Uani 1 d . . .
C29 C 0.5392(6) 0.0910(5) 0.3607(11) 0.052(4) Uani 1 d . . .
H29A H 0.5718 0.1082 0.3466 0.062 Uiso 1 calc R . .
C30 C 0.5041(7) 0.0879(6) 0.2962(12) 0.062(5) Uani 1 d . . .
H30A H 0.5144 0.1041 0.2401 0.075 Uiso 1 calc R . .
C31 C 0.4567(6) 0.0624(6) 0.3141(11) 0.053(4) Uani 1 d . . .
H31A H 0.4345 0.0607 0.2710 0.064 Uiso 1 calc R . .
C32 C 0.4419(6) 0.0388(5) 0.3972(12) 0.055(4) Uani 1 d . . .
H32A H 0.4091 0.0210 0.4096 0.066 Uiso 1 calc R . .
C33 C 0.4742(5) 0.0407(5) 0.4631(10) 0.045(4) Uani 1 d . . .
H33A H 0.4628 0.0240 0.5185 0.055 Uiso 1 calc R . .
C34 C 0.3510(7) 0.1155(7) 0.3939(18) 0.092(7) Uani 1 d . . .
H34A H 0.3339 0.1016 0.4479 0.110 Uiso 1 calc R . .
C35 C 0.3254(10) 0.1149(7) 0.316(3) 0.140(14) Uani 1 d . . .
H35A H 0.2922 0.1017 0.3182 0.168 Uiso 1 calc R . .
C36 C 0.3504(9) 0.1344(9) 0.236(2) 0.116(10) Uani 1 d . . .
H36A H 0.3343 0.1343 0.1825 0.139 Uiso 1 calc R . .
C37 C 0.3978(10) 0.1535(7) 0.2354(16) 0.093(7) Uani 1 d . . .
H37A H 0.4146 0.1658 0.1804 0.112 Uiso 1 calc R . .
C38 C 0.4232(7) 0.1554(6) 0.3162(17) 0.077(6) Uani 1 d . . .
C39 C 0.4755(6) 0.1774(5) 0.3252(15) 0.066(5) Uani 1 d . . .
C40 C 0.5077(9) 0.2041(6) 0.2555(15) 0.085(6) Uani 1 d . . .
H40A H 0.4959 0.2073 0.1989 0.102 Uiso 1 calc R . .
C41 C 0.5557(8) 0.2256(6) 0.2683(15) 0.078(6) Uani 1 d . . .
H41A H 0.5768 0.2421 0.2202 0.094 Uiso 1 calc R . .
C42 C 0.5728(7) 0.2224(6) 0.3531(13) 0.070(5) Uani 1 d . . .
H42A H 0.6057 0.2376 0.3637 0.083 Uiso 1 calc R . .
C43 C 0.5406(7) 0.1964(6) 0.4236(12) 0.063(5) Uani 1 d . . .
H43A H 0.5526 0.1950 0.4813 0.075 Uiso 1 calc R . .
C44 C 0.2440(8) 0.0287(8) 0.620(2) 0.102(8) Uani 1 d . . .
H44A H 0.2494 0.0568 0.5840 0.123 Uiso 1 calc R . .
C45 C 0.2478(7) -0.0094(9) 0.5856(16) 0.086(6) Uani 1 d . . .
H45A H 0.2558 -0.0137 0.5223 0.103 Uiso 1 calc R . .
C46 C 0.2372(6) -0.0399(7) 0.6580(17) 0.072(5) Uani 1 d . . .
H46A H 0.2369 -0.0705 0.6556 0.087 Uiso 1 calc R . .
C47 C 0.2266(6) -0.0212(7) 0.7372(14) 0.070(5) Uani 1 d . . .
H47A H 0.2167 -0.0370 0.7976 0.085 Uiso 1 calc R . .
C48 C 0.2294(6) 0.0211(8) 0.7125(19) 0.082(6) Uani 1 d . . .
H48A H 0.2222 0.0417 0.7514 0.098 Uiso 1 calc R . .
C49 C 0.3017(6) -0.0595(5) 0.8327(13) 0.052(4) Uani 1 d . . .
C50 C 0.2794(7) -0.1055(7) 0.8013(16) 0.088(6) Uani 1 d . . .
H50A H 0.2817 -0.1111 0.7389 0.106 Uiso 1 calc R . .
C51 C 0.2527(7) -0.1454(7) 0.8606(18) 0.082(6) Uani 1 d . . .
H51A H 0.2382 -0.1766 0.8373 0.099 Uiso 1 calc R . .
C52 C 0.2484(7) -0.1378(9) 0.9516(19) 0.093(7) Uani 1 d . . .
H52A H 0.2310 -0.1637 0.9910 0.112 Uiso 1 calc R . .
C53 C 0.2692(8) -0.0933(10) 0.9840(15) 0.093(7) Uani 1 d . . .
H53A H 0.2656 -0.0887 1.0463 0.112 Uiso 1 calc R . .
C54 C 0.2965(7) -0.0528(7) 0.9282(16) 0.079(6) Uani 1 d . . .
H54A H 0.3110 -0.0221 0.9534 0.095 Uiso 1 calc R . .
C55 C 0.3600(5) -0.0349(5) 0.6756(13) 0.057(4) Uani 1 d . . .
C56 C 0.3466(6) -0.0408(6) 0.5818(13) 0.064(5) Uani 1 d . . .
H56A H 0.3267 -0.0295 0.5599 0.076 Uiso 1 calc R . .
C57 C 0.3634(6) -0.0640(6) 0.5202(15) 0.072(5) Uani 1 d . . .
H57A H 0.3550 -0.0682 0.4579 0.087 Uiso 1 calc R . .
C58 C 0.3920(7) -0.0796(6) 0.5565(15) 0.074(5) Uani 1 d . . .
H58A H 0.4024 -0.0959 0.5181 0.089 Uiso 1 calc R . .
C59 C 0.4065(7) -0.0726(7) 0.6475(16) 0.081(6) Uani 1 d . . .
H59A H 0.4279 -0.0821 0.6685 0.097 Uiso 1 calc R . .
C60 C 0.3893(6) -0.0516(6) 0.7069(13) 0.066(5) Uani 1 d . . .
H60A H 0.3976 -0.0485 0.7692 0.079 Uiso 1 calc R . .
C61 C 0.3862(6) 0.0366(5) 0.8183(14) 0.070(5) Uani 1 d . . .
H61A H 0.3945 0.0208 0.8660 0.084 Uiso 1 calc R . .
H61B H 0.4133 0.0523 0.7764 0.084 Uiso 1 calc R . .
C62 C 0.3777(7) 0.0739(7) 0.8622(16) 0.094(7) Uani 1 d . . .
H62A H 0.4075 0.1045 0.8618 0.113 Uiso 1 calc R . .
H62B H 0.3684 0.0651 0.9262 0.113 Uiso 1 calc R . .
C63 C 0.2962(7) 0.0847(7) 0.9010(13) 0.076(5) Uani 1 d . . .
C64 C 0.3015(13) 0.1290(10) 0.934(2) 0.145(12) Uani 1 d . . .
H64A H 0.3224 0.1579 0.9049 0.174 Uiso 1 calc R . .
C65 C 0.2745(11) 0.1282(13) 1.012(3) 0.148(12) Uani 1 d . . .
H65A H 0.2773 0.1570 1.0326 0.177 Uiso 1 calc R . .
C66 C 0.2445(14) 0.0868(15) 1.058(3) 0.159(14) Uani 1 d . . .
H66A H 0.2270 0.0876 1.1085 0.191 Uiso 1 calc R . .
C67 C 0.2402(11) 0.0448(15) 1.030(2) 0.149(14) Uani 1 d . . .
H67A H 0.2205 0.0170 1.0635 0.178 Uiso 1 calc R . .
C68 C 0.2645(9) 0.0419(8) 0.952(2) 0.109(8) Uani 1 d . . .
H68A H 0.2603 0.0123 0.9339 0.131 Uiso 1 calc R . .
C69 C 0.3583(6) 0.1421(6) 0.7625(15) 0.069(5) Uani 1 d . . .
C70 C 0.4029(8) 0.1791(7) 0.7836(15) 0.089(7) Uani 1 d . . .
H70A H 0.4227 0.1743 0.8236 0.106 Uiso 1 calc R . .
C71 C 0.4188(9) 0.2247(8) 0.744(2) 0.106(8) Uani 1 d . . .
H71A H 0.4493 0.2496 0.7596 0.127 Uiso 1 calc R . .
C72 C 0.3924(11) 0.2336(8) 0.6872(16) 0.092(7) Uani 1 d . . .
H72A H 0.4042 0.2644 0.6635 0.110 Uiso 1 calc R . .
C73 C 0.3498(9) 0.1995(8) 0.6639(19) 0.100(7) Uani 1 d . . .
H73A H 0.3313 0.2060 0.6233 0.121 Uiso 1 calc R . .
C74 C 0.3319(8) 0.1537(7) 0.6991(16) 0.095(7) Uani 1 d . . .
H74A H 0.3016 0.1297 0.6806 0.114 Uiso 1 calc R . .
Sb1 Sb 0.31135(5) 0.28327(5) 0.44597(10) 0.0740(4) Uani 1 d . . .
F1 F 0.2512(5) 0.2522(5) 0.4853(16) 0.164(8) Uani 1 d . . .
F2 F 0.3333(9) 0.2829(8) 0.5587(12) 0.219(11) Uani 1 d . . .
F3 F 0.3741(5) 0.3175(6) 0.4037(14) 0.160(7) Uani 1 d . . .
F4 F 0.3158(5) 0.3410(4) 0.4660(13) 0.146(6) Uani 1 d . . .
F5 F 0.2914(8) 0.2870(9) 0.3317(13) 0.224(10) Uani 1 d . . .
F6 F 0.3084(6) 0.2264(5) 0.4253(16) 0.170(7) Uani 1 d . . .
Sb2 Sb 0.29703(5) 0.52748(5) 0.13832(9) 0.0800(4) Uani 1 d . . .
F7 F 0.3498(5) 0.5450(5) 0.2155(10) 0.129(5) Uani 1 d . . .
F8 F 0.2434(6) 0.5072(7) 0.0670(10) 0.149(6) Uani 1 d . . .
F9 F 0.3191(5) 0.4975(5) 0.0600(11) 0.136(6) Uani 1 d . . .
F10 F 0.3304(11) 0.5829(5) 0.0741(11) 0.256(15) Uani 1 d . . .
F11 F 0.2671(5) 0.4697(5) 0.1976(10) 0.144(6) Uani 1 d . . .
F12 F 0.2752(8) 0.5526(10) 0.2221(12) 0.223(11) Uani 1 d . . .
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'
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'
N N 0.0061 0.0033 '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'
Sb Sb -0.5866 1.5461 '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 Pt1 C1 93.0(7) . . y
C2 Pt1 N4 175.0(6) . . y
C1 Pt1 N4 91.9(6) . . y
C2 Pt1 N3 95.0(6) . . y
C1 Pt1 N3 170.3(7) . . y
N4 Pt1 N3 80.0(6) . . y
N1 Fe1 C5 89.0(7) . . y
N1 Fe1 C7 128.4(8) . . y
C5 Fe1 C7 64.2(7) . . y
N1 Fe1 C3 154.6(7) . . y
C5 Fe1 C3 65.7(8) . . y
C7 Fe1 C3 39.5(7) . . y
N1 Fe1 C6 92.4(7) . . y
C5 Fe1 C6 38.8(7) . . y
C7 Fe1 C6 39.1(7) . . y
C3 Fe1 C6 67.0(7) . . y
N1 Fe1 C4 119.3(8) . . y
C5 Fe1 C4 38.7(7) . . y
C7 Fe1 C4 65.3(7) . . y
C3 Fe1 C4 39.7(8) . . y
C6 Fe1 C4 66.1(7) . . y
N1 Fe1 P1 94.8(3) . . y
C5 Fe1 P1 121.7(6) . . y
C7 Fe1 P1 136.6(7) . . y
C3 Fe1 P1 100.0(6) . . y
C6 Fe1 P1 159.2(6) . . y
C4 Fe1 P1 93.4(5) . . y
N1 Fe1 P2 92.2(4) . . y
C5 Fe1 P2 151.6(6) . . y
C7 Fe1 P2 93.6(5) . . y
C3 Fe1 P2 109.1(7) . . y
C6 Fe1 P2 112.8(5) . . y
C4 Fe1 P2 148.3(7) . . y
P1 Fe1 P2 86.44(16) . . y
N2 Fe2 C44 100.2(9) . . y
N2 Fe2 C47 162.2(7) . . y
C44 Fe2 C47 65.2(9) . . y
N2 Fe2 C46 125.4(8) . . y
C44 Fe2 C46 63.8(8) . . y
C47 Fe2 C46 40.1(7) . . y
N2 Fe2 C48 134.1(8) . . y
C44 Fe2 C48 39.5(9) . . y
C47 Fe2 C48 38.6(7) . . y
C46 Fe2 C48 65.3(8) . . y
N2 Fe2 C45 96.0(8) . . y
C44 Fe2 C45 38.9(8) . . y
C47 Fe2 C45 66.2(8) . . y
C46 Fe2 C45 37.8(8) . . y
C48 Fe2 C45 66.4(9) . . y
N2 Fe2 P3 88.0(4) . . y
C44 Fe2 P3 156.1(7) . . y
C47 Fe2 P3 101.7(6) . . y
C46 Fe2 P3 93.0(6) . . y
C48 Fe2 P3 137.9(8) . . y
C45 Fe2 P3 118.3(7) . . y
N2 Fe2 P4 86.8(4) . . y
C44 Fe2 P4 115.3(8) . . y
C47 Fe2 P4 108.3(6) . . y
C46 Fe2 P4 147.7(7) . . y
C48 Fe2 P4 93.3(7) . . y
C45 Fe2 P4 154.2(7) . . y
P3 Fe2 P4 87.43(18) . . y
C14 P1 C8 103.2(7) . . y
C14 P1 C20 103.7(7) . . y
C8 P1 C20 104.4(7) . . y
C14 P1 Fe1 118.2(5) . . y
C8 P1 Fe1 115.5(5) . . y
C20 P1 Fe1 110.3(5) . . y
C28 P2 C21 105.6(8) . . y
C28 P2 C22 105.4(7) . . y
C21 P2 C22 101.8(7) . . y
C28 P2 Fe1 114.8(5) . . y
C21 P2 Fe1 108.9(5) . . y
C22 P2 Fe1 119.0(5) . . y
C49 P3 C61 106.5(9) . . y
C49 P3 C55 99.6(7) . . y
C61 P3 C55 103.7(8) . . y
C49 P3 Fe2 118.0(5) . . y
C61 P3 Fe2 108.3(5) . . y
C55 P3 Fe2 119.2(6) . . y
C69 P4 C63 99.9(9) . . y
C69 P4 C62 107.3(9) . . y
C63 P4 C62 101.9(10) . . y
C69 P4 Fe2 115.6(7) . . y
C63 P4 Fe2 121.0(7) . . y
C62 P4 Fe2 109.5(6) . . y
C1 N1 Fe1 175.1(12) . . y
C2 N2 Fe2 177.2(14) . . y
C34 N3 C38 117.2(17) . . y
C34 N3 Pt1 127.5(15) . . y
C38 N3 Pt1 114.9(12) . . y
C43 N4 C39 117.9(13) . . y
C43 N4 Pt1 128.3(11) . . y
C39 N4 Pt1 113.8(11) . . y
N1 C1 Pt1 166.9(13) . . y
N2 C2 Pt1 176.6(14) . . y
C7 C3 C4 105.6(15) . . y
C7 C3 Fe1 69.5(9) . . y
C4 C3 Fe1 71.2(10) . . y
C5 C4 C3 106.2(16) . . y
C5 C4 Fe1 68.4(10) . . y
C3 C4 Fe1 69.1(11) . . y
C6 C5 C4 112.6(17) . . y
C6 C5 Fe1 72.6(11) . . y
C4 C5 Fe1 72.9(10) . . y
C5 C6 C7 103.9(18) . . y
C5 C6 Fe1 68.6(10) . . y
C7 C6 Fe1 68.8(10) . . y
C6 C7 C3 111.6(17) . . y
C6 C7 Fe1 72.1(9) . . y
C3 C7 Fe1 71.0(10) . . y
C13 C8 C9 118.0(15) . . y
C13 C8 P1 122.9(12) . . y
C9 C8 P1 118.8(12) . . y
C10 C9 C8 117.7(17) . . y
C11 C10 C9 121.8(19) . . y
C10 C11 C12 121.0(17) . . y
C11 C12 C13 117.4(17) . . y
C8 C13 C12 123.9(18) . . y
C15 C14 C19 115.9(14) . . y
C15 C14 P1 120.9(11) . . y
C19 C14 P1 123.1(13) . . y
C16 C15 C14 122.5(16) . . y
C15 C16 C17 119.8(18) . . y
C18 C17 C16 120.8(16) . . y
C17 C18 C19 117.5(16) . . y
C18 C19 C14 123.1(16) . . y
C21 C20 P1 108.8(10) . . y
C20 C21 P2 109.3(10) . . y
C27 C22 C23 119.5(13) . . y
C27 C22 P2 118.6(11) . . y
C23 C22 P2 121.5(12) . . y
C22 C23 C24 119.6(15) . . y
C25 C24 C23 120.0(17) . . y
C24 C25 C26 120.1(16) . . y
C27 C26 C25 120.2(15) . . y
C26 C27 C22 120.3(14) . . y
C33 C28 C29 118.5(14) . . y
C33 C28 P2 119.8(12) . . y
C29 C28 P2 121.7(12) . . y
C28 C29 C30 118.1(15) . . y
C31 C30 C29 122.1(16) . . y
C30 C31 C32 118.7(16) . . y
C31 C32 C33 122.1(16) . . y
C28 C33 C32 120.5(15) . . y
N3 C34 C35 124(2) . . y
C36 C35 C34 118(3) . . y
C37 C36 C35 120(2) . . y
C36 C37 C38 121(2) . . y
N3 C38 C37 119.9(18) . . y
N3 C38 C39 113.8(18) . . y
C37 C38 C39 126(2) . . y
N4 C39 C40 120.0(16) . . y
N4 C39 C38 116.3(17) . . y
C40 C39 C38 124(2) . . y
C41 C40 C39 122(2) . . y
C40 C41 C42 118.8(19) . . y
C41 C42 C43 119.7(18) . . y
N4 C43 C42 121.9(16) . . y
C45 C44 C48 111(2) . . y
C45 C44 Fe2 73.2(13) . . y
C48 C44 Fe2 71.8(12) . . y
C46 C45 C44 105(2) . . y
C46 C45 Fe2 69.5(11) . . y
C44 C45 Fe2 67.8(12) . . y
C45 C46 C47 110.3(18) . . y
C45 C46 Fe2 72.7(12) . . y
C47 C46 Fe2 69.1(10) . . y
C48 C47 C46 107.5(19) . . y
C48 C47 Fe2 72.0(11) . . y
C46 C47 Fe2 70.8(10) . . y
C47 C48 C44 106(2) . . y
C47 C48 Fe2 69.4(10) . . y
C44 C48 Fe2 68.7(12) . . y
C50 C49 C54 116.8(16) . . y
C50 C49 P3 121.2(15) . . y
C54 C49 P3 122.0(13) . . y
C49 C50 C51 122(2) . . y
C52 C51 C50 119(2) . . y
C53 C52 C51 120(2) . . y
C52 C53 C54 123(2) . . y
C53 C54 C49 119.1(19) . . y
C60 C55 C56 119.4(17) . . y
C60 C55 P3 121.8(15) . . y
C56 C55 P3 118.6(13) . . y
C55 C56 C57 119.9(17) . . y
C58 C57 C56 117(2) . . y
C57 C58 C59 123(2) . . y
C60 C59 C58 119.6(18) . . y
C59 C60 C55 120.7(19) . . y
C62 C61 P3 113.3(12) . . y
C61 C62 P4 113.1(13) . . y
C64 C63 C68 117(2) . . y
C64 C63 P4 122.9(18) . . y
C68 C63 P4 119.9(18) . . y
C65 C64 C63 119(3) . . y
C66 C65 C64 122(3) . . y
C67 C66 C65 120(3) . . y
C66 C67 C68 122(3) . . y
C67 C68 C63 120(3) . . y
C70 C69 C74 114.9(17) . . y
C70 C69 P4 127.5(15) . . y
C74 C69 P4 117.5(14) . . y
C69 C70 C71 120(2) . . y
C72 C71 C70 123(2) . . y
C73 C72 C71 120(2) . . y
C72 C73 C74 120(2) . . y
C73 C74 C69 122(2) . . y
F1 Sb1 F2 91.5(11) . . y
F1 Sb1 F5 90.5(11) . . y
F2 Sb1 F5 176.9(10) . . y
F1 Sb1 F4 91.7(6) . . y
F2 Sb1 F4 91.8(10) . . y
F5 Sb1 F4 85.8(10) . . y
F1 Sb1 F6 89.6(7) . . y
F2 Sb1 F6 88.1(10) . . y
F5 Sb1 F6 94.3(11) . . y
F4 Sb1 F6 178.7(7) . . y
F1 Sb1 F3 178.1(6) . . y
F2 Sb1 F3 89.4(10) . . y
F5 Sb1 F3 88.6(10) . . y
F4 Sb1 F3 86.6(7) . . y
F6 Sb1 F3 92.1(7) . . y
F12 Sb2 F10 94.4(12) . . y
F12 Sb2 F8 91.7(7) . . y
F10 Sb2 F8 92.8(10) . . y
F12 Sb2 F11 90.9(11) . . y
F10 Sb2 F11 174.4(11) . . y
F8 Sb2 F11 88.8(7) . . y
F12 Sb2 F9 174.6(10) . . y
F10 Sb2 F9 90.4(9) . . y
F8 Sb2 F9 90.5(7) . . y
F11 Sb2 F9 84.3(8) . . y
F12 Sb2 F7 87.7(7) . . y
F10 Sb2 F7 90.5(10) . . y
F8 Sb2 F7 176.7(7) . . y
F11 Sb2 F7 87.9(6) . . y
F9 Sb2 F7 89.8(6) . . y
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 C2 1.896(17) . y
Pt1 C1 1.907(15) . y
Pt1 N4 2.033(13) . y
Pt1 N3 2.054(13) . y
Fe1 N1 1.892(14) . y
Fe1 C5 2.032(17) . y
Fe1 C7 2.041(15) . y
Fe1 C3 2.061(17) . y
Fe1 C6 2.082(17) . y
Fe1 C4 2.088(17) . y
Fe1 P1 2.192(4) . y
Fe1 P2 2.226(4) . y
Fe2 N2 1.922(17) . y
Fe2 C44 2.04(2) . y
Fe2 C47 2.046(18) . y
Fe2 C46 2.069(17) . y
Fe2 C48 2.080(18) . y
Fe2 C45 2.11(2) . y
Fe2 P3 2.186(5) . y
Fe2 P4 2.206(6) . y
P1 C14 1.798(14) . y
P1 C8 1.819(15) . y
P1 C20 1.873(16) . y
P2 C28 1.822(15) . y
P2 C21 1.839(14) . y
P2 C22 1.854(13) . y
P3 C49 1.824(15) . y
P3 C61 1.827(15) . y
P3 C55 1.838(17) . y
P4 C69 1.796(17) . y
P4 C63 1.83(2) . y
P4 C62 1.852(17) . y
N1 C1 1.215(17) . y
N2 C2 1.200(19) . y
N3 C34 1.34(2) . y
N3 C38 1.37(2) . y
N4 C43 1.36(2) . y
N4 C39 1.38(2) . y
C3 C7 1.39(3) . y
C3 C4 1.41(3) . y
C4 C5 1.37(2) . y
C5 C6 1.37(2) . y
C6 C7 1.38(2) . y
C8 C13 1.37(2) . y
C8 C9 1.43(2) . y
C9 C10 1.41(2) . y
C10 C11 1.36(2) . y
C11 C12 1.39(3) . y
C12 C13 1.39(2) . y
C14 C15 1.39(2) . y
C14 C19 1.40(2) . y
C15 C16 1.36(2) . y
C16 C17 1.39(3) . y
C17 C18 1.38(2) . y
C18 C19 1.40(2) . y
C20 C21 1.528(19) . y
C22 C27 1.37(2) . y
C22 C23 1.38(2) . y
C23 C24 1.39(2) . y
C24 C25 1.35(2) . y
C25 C26 1.38(2) . y
C26 C27 1.36(2) . y
C28 C33 1.37(2) . y
C28 C29 1.43(2) . y
C29 C30 1.43(2) . y
C30 C31 1.34(2) . y
C31 C32 1.37(2) . y
C32 C33 1.39(2) . y
C34 C35 1.39(3) . y
C35 C36 1.37(4) . y
C36 C37 1.33(3) . y
C37 C38 1.41(3) . y
C38 C39 1.47(2) . y
C39 C40 1.39(3) . y
C40 C41 1.35(3) . y
C41 C42 1.37(3) . y
C42 C43 1.39(2) . y
C44 C45 1.38(3) . y
C44 C48 1.39(3) . y
C45 C46 1.36(3) . y
C46 C47 1.41(3) . y
C47 C48 1.36(3) . y
C49 C50 1.36(2) . y
C49 C54 1.42(3) . y
C50 C51 1.42(3) . y
C51 C52 1.36(3) . y
C52 C53 1.32(3) . y
C53 C54 1.40(3) . y
C55 C60 1.37(2) . y
C55 C56 1.41(2) . y
C56 C57 1.43(3) . y
C57 C58 1.36(2) . y
C58 C59 1.38(3) . y
C59 C60 1.37(3) . y
C61 C62 1.50(2) . y
C63 C64 1.43(3) . y
C63 C68 1.44(3) . y
C64 C65 1.42(4) . y
C65 C66 1.36(4) . y
C66 C67 1.35(4) . y
C67 C68 1.40(4) . y
C69 C70 1.36(2) . y
C69 C74 1.42(3) . y
C70 C71 1.41(3) . y
C71 C72 1.31(3) . y
C72 C73 1.30(3) . y
C73 C74 1.38(3) . y
Sb1 F1 1.767(13) . y
Sb1 F2 1.778(13) . y
Sb1 F5 1.798(16) . y
Sb1 F4 1.809(12) . y
Sb1 F6 1.807(14) . y
Sb1 F3 1.853(13) . y
Sb2 F12 1.782(13) . y
Sb2 F10 1.810(14) . y
Sb2 F8 1.826(13) . y
Sb2 F11 1.823(12) . y
Sb2 F9 1.844(11) . y
Sb2 F7 1.865(14) . y
