#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:53:21 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179710 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/13/7001373.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_7001373
loop_
_publ_author_name
'Gasser, Gilles'
'Brosch, Oliver'
'Ewers, Alexandra'
'Weyhermüller, Thomas'
'Metzler-Nolte, Nils'
_publ_section_title
;
 Synthesis and characterisation of hetero-bimetallic organometallic
 phenylalanine and PNA monomer derivatives
;
_journal_issue                   22
_journal_name_full               'Dalton Transactions'
_journal_page_first              4310
_journal_page_last               4317
_journal_paper_doi               10.1039/b819169g
_journal_year                    2009
_chemical_absolute_configuration rm
_chemical_formula_sum            'C63 H60 Fe N2 O2 P2 Pt'
_chemical_formula_weight         1190.01
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.24(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.116(2)
_cell_length_b                   18.556(2)
_cell_length_c                   19.210(3)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.88
_cell_measurement_theta_min      2.81
_cell_volume                     5354.5(14)
_computing_cell_refinement       'Siemens SAINT'
_computing_data_collection       'Siemens SAINT'
_computing_data_reduction        'Siemens SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Siemens SMART'
_diffrn_measurement_method       'omega-scan, 0.3 deg./frame'
_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  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0759
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            52151
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    2.986
_exptl_absorpt_correction_T_max  0.6799
_exptl_absorpt_correction_T_min  0.3533
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS 2006/1'
_exptl_crystal_colour            yellow-orange
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'transparent parallelepiped'
_exptl_crystal_F_000             2408
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.541
_refine_diff_density_min         -2.209
_refine_diff_density_rms         0.127
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.029(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1283
_refine_ls_number_reflns         24746
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0586P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0975
_refine_ls_wR_factor_ref         0.1040
_reflns_number_gt                18101
_reflns_number_total             24746
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b819169g.txt
_cod_data_source_block           4b
_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.

'_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_original_sg_symbol_H-M      P2(1)
_cod_database_code               7001373
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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 1.20032(2) -0.092711(11) 0.218225(19) 0.01456(10) Uani 1 1 d . . .
P1 P 1.20522(16) -0.10426(15) 0.10213(12) 0.0150(5) Uani 1 1 d . . .
Fe1 Fe 1.20180(11) 0.37350(10) 0.23968(8) 0.0208(3) Uani 1 1 d . . .
P2 P 1.21291(17) -0.20613(16) 0.26834(13) 0.0163(5) Uani 1 1 d . . .
Pt2 Pt 0.69997(2) -0.029810(11) 1.215415(18) 0.01469(10) Uani 1 1 d . . .
Fe2 Fe 0.69647(11) -0.49729(10) 1.24863(8) 0.0239(4) Uani 1 1 d . . .
P3 P 0.70167(17) -0.01827(16) 1.09806(12) 0.0161(5) Uani 1 1 d . . .
P4 P 0.69968(18) 0.08474(16) 1.25858(14) 0.0179(5) Uani 1 1 d . . .
C101 C 1.1467(5) 0.1900(4) 0.4222(4) 0.0199(17) Uani 1 1 d . . .
H101 H 1.1669 0.2120 0.4732 0.024 Uiso 1 1 calc R . .
C102 C 1.0439(4) 0.1978(3) 0.3903(4) 0.0213(14) Uani 1 1 d . . .
H10A H 1.0228 0.1917 0.3355 0.026 Uiso 1 1 calc R . .
H10B H 1.0181 0.1582 0.4105 0.026 Uiso 1 1 calc R . .
C103 C 1.0081(4) 0.2688(4) 0.4072(4) 0.0180(14) Uani 1 1 d . . .
C104 C 0.9388(6) 0.2685(5) 0.4335(4) 0.0227(18) Uani 1 1 d . . .
H104 H 0.9161 0.2237 0.4426 0.027 Uiso 1 1 calc R . .
C105 C 0.9018(7) 0.3314(7) 0.4467(6) 0.032(3) Uani 1 1 d . . .
H105 H 0.8524 0.3297 0.4625 0.039 Uiso 1 1 calc R . .
C106 C 0.9367(5) 0.3970(5) 0.4370(4) 0.0265(19) Uani 1 1 d . . .
H106 H 0.9130 0.4408 0.4474 0.032 Uiso 1 1 calc R . .
C107 C 1.0073(6) 0.3978(6) 0.4115(5) 0.026(2) Uani 1 1 d . . .
H107 H 1.0314 0.4424 0.4036 0.031 Uiso 1 1 calc R . .
C108 C 1.0423(7) 0.3342(5) 0.3977(5) 0.0214(19) Uani 1 1 d . . .
H108 H 1.0912 0.3356 0.3812 0.026 Uiso 1 1 calc R . .
O109 O 1.1867(5) 0.0821(4) 0.4964(3) 0.0203(15) Uani 1 1 d . . .
C109 C 1.1700(7) 0.1100(6) 0.4345(5) 0.021(2) Uani 1 1 d . . .
N110 N 1.1714(6) 0.0732(5) 0.3737(4) 0.0198(18) Uani 1 1 d . . .
H110 H 1.1590 0.0980 0.3322 0.024 Uiso 1 1 calc R . .
C111 C 1.1918(7) -0.0046(6) 0.3700(5) 0.017(2) Uani 1 1 d . . .
C112 C 1.1843(6) -0.0185(6) 0.2916(5) 0.0153(18) Uani 1 1 d . . .
C113 C 1.1802(7) 0.0138(6) 0.2320(5) 0.022(2) Uani 1 1 d . . .
H113 H 1.1724 0.0596 0.2083 0.026 Uiso 1 1 calc R . .
C114 C 1.2875(6) -0.0194(5) 0.4234(5) 0.0196(18) Uani 1 1 d . . .
H11A H 1.2953 0.0016 0.4728 0.024 Uiso 1 1 calc R . .
H11B H 1.2957 -0.0722 0.4300 0.024 Uiso 1 1 calc R . .
C115 C 1.3594(5) 0.0101(5) 0.3983(4) 0.0293(17) Uani 1 1 d . . .
H11C H 1.4180 -0.0032 0.4346 0.044 Uiso 1 1 calc R . .
H11D H 1.3546 0.0627 0.3946 0.044 Uiso 1 1 calc R . .
H11E H 1.3525 -0.0101 0.3494 0.044 Uiso 1 1 calc R . .
C116 C 1.1256(6) -0.0518(5) 0.3909(5) 0.0219(19) Uani 1 1 d . . .
H11F H 1.1367 -0.1031 0.3831 0.026 Uiso 1 1 calc R . .
H11G H 1.1361 -0.0450 0.4445 0.026 Uiso 1 1 calc R . .
C117 C 1.0296(5) -0.0341(5) 0.3455(5) 0.0286(19) Uani 1 1 d . . .
H11H H 0.9905 -0.0679 0.3582 0.043 Uiso 1 1 calc R . .
H11I H 1.0196 -0.0381 0.2922 0.043 Uiso 1 1 calc R . .
H11J H 1.0165 0.0152 0.3567 0.043 Uiso 1 1 calc R . .
N118 N 1.1932(5) 0.2291(4) 0.3818(4) 0.0166(15) Uani 1 1 d . . .
H118 H 1.2364 0.2581 0.4083 0.020 Uiso 1 1 calc R . .
O119 O 1.1194(5) 0.1853(4) 0.2644(4) 0.0225(16) Uani 1 1 d . . .
C119 C 1.1773(6) 0.2257(6) 0.3082(5) 0.020(2) Uani 1 1 d . . .
C120 C 1.2329(7) 0.2700(6) 0.2790(5) 0.020(2) Uani 1 1 d . . .
C121 C 1.2222(7) 0.2737(6) 0.2015(5) 0.022(2) Uani 1 1 d . . .
H121 H 1.1810 0.2467 0.1619 0.026 Uiso 1 1 calc R . .
C122 C 1.2835(8) 0.3244(7) 0.1946(5) 0.030(2) Uani 1 1 d . . .
H122 H 1.2900 0.3379 0.1492 0.037 Uiso 1 1 calc R . .
C123 C 1.3351(7) 0.3528(6) 0.2673(5) 0.027(2) Uani 1 1 d . . .
H123 H 1.3817 0.3872 0.2785 0.033 Uiso 1 1 calc R . .
C124 C 1.3031(6) 0.3197(6) 0.3188(5) 0.022(2) Uani 1 1 d . . .
H124 H 1.3242 0.3286 0.3710 0.026 Uiso 1 1 calc R . .
C125 C 1.1493(8) 0.4606(7) 0.1726(5) 0.031(2) Uani 1 1 d . . .
H125 H 1.1665 0.4782 0.1333 0.038 Uiso 1 1 calc R . .
C126 C 1.1855(9) 0.4823(7) 0.2485(7) 0.037(3) Uani 1 1 d . . .
H126 H 1.2316 0.5167 0.2692 0.044 Uiso 1 1 calc R . .
C127 C 1.1405(8) 0.4436(7) 0.2885(6) 0.030(3) Uani 1 1 d . . .
H127 H 1.1512 0.4480 0.3403 0.036 Uiso 1 1 calc R . .
C128 C 1.0760(7) 0.3966(7) 0.2367(6) 0.032(2) Uani 1 1 d . . .
H128 H 1.0367 0.3644 0.2478 0.038 Uiso 1 1 calc R . .
C129 C 1.0828(7) 0.4078(8) 0.1658(5) 0.034(3) Uani 1 1 d . . .
H129 H 1.0484 0.3838 0.1209 0.041 Uiso 1 1 calc R . .
C131 C 1.1756(6) -0.0224(6) 0.0445(5) 0.0152(19) Uani 1 1 d . . .
C132 C 1.2190(7) 0.0422(6) 0.0744(5) 0.022(2) Uani 1 1 d . . .
H132 H 1.2628 0.0427 0.1234 0.026 Uiso 1 1 calc R . .
C133 C 1.1985(8) 0.1057(7) 0.0330(6) 0.032(3) Uani 1 1 d . . .
H133 H 1.2291 0.1490 0.0535 0.039 Uiso 1 1 calc R . .
C134 C 1.1329(8) 0.1060(7) -0.0389(6) 0.034(3) Uani 1 1 d . . .
H134 H 1.1184 0.1494 -0.0668 0.041 Uiso 1 1 calc R . .
C135 C 1.0894(7) 0.0426(7) -0.0689(6) 0.026(3) Uani 1 1 d . . .
H135 H 1.0448 0.0425 -0.1174 0.032 Uiso 1 1 calc R . .
C136 C 1.1112(7) -0.0215(7) -0.0275(5) 0.024(2) Uani 1 1 d . . .
H136 H 1.0817 -0.0649 -0.0487 0.029 Uiso 1 1 calc R . .
C141 C 1.3137(6) -0.1261(6) 0.0956(5) 0.017(2) Uani 1 1 d . . .
C142 C 1.3742(7) -0.1643(6) 0.1537(5) 0.023(2) Uani 1 1 d . . .
H142 H 1.3591 -0.1790 0.1949 0.027 Uiso 1 1 calc R . .
C143 C 1.4580(7) -0.1811(6) 0.1513(6) 0.025(2) Uani 1 1 d . . .
H143 H 1.4996 -0.2077 0.1909 0.030 Uiso 1 1 calc R . .
C144 C 1.4804(7) -0.1593(7) 0.0923(6) 0.029(3) Uani 1 1 d . . .
H144 H 1.5374 -0.1706 0.0913 0.034 Uiso 1 1 calc R . .
C145 C 1.4206(7) -0.1214(7) 0.0349(5) 0.026(3) Uani 1 1 d . . .
H145 H 1.4359 -0.1075 -0.0066 0.032 Uiso 1 1 calc R . .
C146 C 1.3374(6) -0.1029(6) 0.0366(5) 0.021(2) Uani 1 1 d . . .
H146 H 1.2972 -0.0747 -0.0024 0.025 Uiso 1 1 calc R . .
C151 C 1.1282(7) -0.1699(6) 0.0437(5) 0.0192(18) Uani 1 1 d U . .
C152 C 1.1498(7) -0.2202(7) -0.0021(5) 0.024(2) Uani 1 1 d U . .
H152 H 1.2077 -0.2201 -0.0043 0.029 Uiso 1 1 calc R . .
C153 C 1.0880(8) -0.2692(7) -0.0434(6) 0.033(2) Uani 1 1 d U . .
H153 H 1.1037 -0.3018 -0.0748 0.039 Uiso 1 1 calc R . .
C154 C 1.0039(8) -0.2727(6) -0.0407(6) 0.031(2) Uani 1 1 d U . .
H154 H 0.9621 -0.3074 -0.0693 0.037 Uiso 1 1 calc R . .
C155 C 0.9816(8) -0.2238(7) 0.0053(6) 0.031(2) Uani 1 1 d U . .
H155 H 0.9242 -0.2259 0.0085 0.037 Uiso 1 1 calc R . .
C156 C 1.0424(7) -0.1720(7) 0.0464(6) 0.026(2) Uani 1 1 d U . .
H156 H 1.0258 -0.1383 0.0762 0.031 Uiso 1 1 calc R . .
C161 C 1.2850(6) -0.2069(5) 0.3684(4) 0.0152(18) Uani 1 1 d . . .
C162 C 1.3730(6) -0.1829(6) 0.3867(5) 0.0181(19) Uani 1 1 d . . .
H162 H 1.3938 -0.1682 0.3486 0.022 Uiso 1 1 calc R . .
C163 C 1.4298(7) -0.1809(6) 0.4617(5) 0.023(2) Uani 1 1 d . . .
H163 H 1.4903 -0.1673 0.4743 0.027 Uiso 1 1 calc R . .
C164 C 1.3982(6) -0.1985(5) 0.5171(5) 0.0216(19) Uani 1 1 d . . .
H164 H 1.4369 -0.1957 0.5679 0.026 Uiso 1 1 calc R . .
C165 C 1.3119(7) -0.2201(5) 0.5001(5) 0.026(2) Uani 1 1 d . . .
H165 H 1.2905 -0.2319 0.5387 0.031 Uiso 1 1 calc R . .
C166 C 1.2555(6) -0.2245(4) 0.4252(5) 0.0198(18) Uani 1 1 d . . .
H166 H 1.1958 -0.2399 0.4133 0.024 Uiso 1 1 calc R . .
C171 C 1.1075(6) -0.2419(6) 0.2668(5) 0.020(2) Uani 1 1 d . . .
C172 C 1.0969(7) -0.3163(6) 0.2822(5) 0.029(2) Uani 1 1 d . . .
H172 H 1.1460 -0.3484 0.2940 0.035 Uiso 1 1 calc R . .
C173 C 1.0142(8) -0.3413(7) 0.2796(6) 0.038(3) Uani 1 1 d . . .
H173 H 1.0071 -0.3906 0.2895 0.046 Uiso 1 1 calc R . .
C174 C 0.9427(8) -0.2948(8) 0.2628(6) 0.039(3) Uani 1 1 d . . .
H174 H 0.8867 -0.3122 0.2615 0.047 Uiso 1 1 calc R . .
C175 C 0.9524(8) -0.2221(8) 0.2478(6) 0.039(3) Uani 1 1 d . . .
H175 H 0.9033 -0.1901 0.2366 0.047 Uiso 1 1 calc R . .
C176 C 1.0335(7) -0.1974(7) 0.2492(5) 0.025(2) Uani 1 1 d . . .
H176 H 1.0390 -0.1482 0.2379 0.030 Uiso 1 1 calc R . .
C181 C 1.2561(6) -0.2845(6) 0.2330(5) 0.0180(19) Uani 1 1 d . . .
C182 C 1.3352(7) -0.3186(6) 0.2717(5) 0.026(2) Uani 1 1 d . . .
H182 H 1.3712 -0.3017 0.3199 0.031 Uiso 1 1 calc R . .
C183 C 1.3637(7) -0.3783(6) 0.2408(6) 0.032(2) Uani 1 1 d . . .
H183 H 1.4186 -0.4012 0.2679 0.039 Uiso 1 1 calc R . .
C184 C 1.3117(7) -0.4029(6) 0.1717(5) 0.029(2) Uani 1 1 d . . .
H184 H 1.3306 -0.4434 0.1510 0.035 Uiso 1 1 calc R . .
C185 C 1.2330(7) -0.3701(6) 0.1322(5) 0.027(2) Uani 1 1 d . . .
H185 H 1.1974 -0.3874 0.0841 0.033 Uiso 1 1 calc R . .
C186 C 1.2051(6) -0.3115(6) 0.1625(5) 0.023(2) Uani 1 1 d . . .
H186 H 1.1501 -0.2890 0.1348 0.027 Uiso 1 1 calc R . .
C201 C 0.6118(5) -0.3039(4) 1.4045(4) 0.0170(15) Uani 1 1 d . . .
H201 H 0.5536 -0.2978 1.3622 0.020 Uiso 1 1 calc R . .
C202 C 0.5934(5) -0.3380(4) 1.4694(4) 0.0203(14) Uani 1 1 d . . .
H20A H 0.6498 -0.3577 1.5053 0.024 Uiso 1 1 calc R . .
H20B H 0.5727 -0.3001 1.4955 0.024 Uiso 1 1 calc R . .
C203 C 0.5248(5) -0.3978(4) 1.4470(4) 0.0193(14) Uani 1 1 d . . .
C204 C 0.4459(6) -0.3912(5) 1.4616(5) 0.027(2) Uani 1 1 d . . .
H204 H 0.4330 -0.3475 1.4813 0.032 Uiso 1 1 calc R . .
C205 C 0.3870(8) -0.4484(7) 1.4471(7) 0.032(3) Uani 1 1 d . . .
H205 H 0.3348 -0.4439 1.4588 0.039 Uiso 1 1 calc R . .
C206 C 0.4021(6) -0.5110(5) 1.4166(5) 0.030(2) Uani 1 1 d . . .
H206 H 0.3600 -0.5490 1.4064 0.036 Uiso 1 1 calc R . .
C207 C 0.4779(6) -0.5193(5) 1.4004(5) 0.025(2) Uani 1 1 d . . .
H207 H 0.4884 -0.5631 1.3794 0.030 Uiso 1 1 calc R . .
C208 C 0.5401(7) -0.4624(6) 1.4152(5) 0.024(2) Uani 1 1 d . . .
H208 H 0.5923 -0.4678 1.4037 0.029 Uiso 1 1 calc R . .
O209 O 0.6765(5) -0.2044(4) 1.4906(3) 0.0223(16) Uani 1 1 d . . .
C209 C 0.6550(6) -0.2276(6) 1.4263(5) 0.0161(18) Uani 1 1 d . . .
N210 N 0.6612(5) -0.1930(5) 1.3683(4) 0.0171(17) Uani 1 1 d . . .
H210 H 0.6394 -0.2142 1.3244 0.021 Uiso 1 1 calc R . .
C211 C 0.7027(7) -0.1206(6) 1.3722(5) 0.018(2) Uani 1 1 d . . .
C212 C 0.6969(6) -0.1063(6) 1.2933(5) 0.019(2) Uani 1 1 d U . .
C213 C 0.6930(6) -0.1391(7) 1.2325(5) 0.023(2) Uani 1 1 d U . .
H213 H 0.6893 -0.1851 1.2098 0.027 Uiso 1 1 calc R . .
C214 C 0.6544(7) -0.0643(6) 1.4009(5) 0.031(2) Uani 1 1 d . . .
H21A H 0.6717 -0.0705 1.4556 0.038 Uiso 1 1 calc R . .
H21B H 0.6743 -0.0158 1.3921 0.038 Uiso 1 1 calc R . .
C215 C 0.5545(7) -0.0678(6) 1.3654(6) 0.046(3) Uani 1 1 d . . .
H21C H 0.5287 -0.0242 1.3782 0.070 Uiso 1 1 calc R . .
H21D H 0.5329 -0.1103 1.3839 0.070 Uiso 1 1 calc R . .
H21E H 0.5371 -0.0710 1.3111 0.070 Uiso 1 1 calc R . .
C216 C 0.8016(6) -0.1239(6) 1.4230(5) 0.030(2) Uani 1 1 d . . .
H21F H 0.8284 -0.0758 1.4235 0.036 Uiso 1 1 calc R . .
H21G H 0.8055 -0.1346 1.4746 0.036 Uiso 1 1 calc R . .
C217 C 0.8562(5) -0.1794(5) 1.4001(5) 0.0350(19) Uani 1 1 d . . .
H21H H 0.9181 -0.1778 1.4350 0.053 Uiso 1 1 calc R . .
H21I H 0.8541 -0.1687 1.3496 0.053 Uiso 1 1 calc R . .
H21J H 0.8316 -0.2276 1.4010 0.053 Uiso 1 1 calc R . .
N218 N 0.6694(5) -0.3480(4) 1.3781(4) 0.0191(16) Uani 1 1 d . . .
H218 H 0.7089 -0.3762 1.4101 0.023 Uiso 1 1 calc R . .
O219 O 0.6099(5) -0.3089(4) 1.2588(4) 0.0228(16) Uani 1 1 d . . .
C219 C 0.6642(6) -0.3473(6) 1.3051(5) 0.0164(19) Uani 1 1 d U . .
C220 C 0.7259(7) -0.3956(6) 1.2863(5) 0.020(2) Uani 1 1 d . . .
C221 C 0.7254(8) -0.4008(7) 1.2115(5) 0.026(2) Uani 1 1 d . . .
H221 H 0.6882 -0.3741 1.1697 0.031 Uiso 1 1 calc R . .
C222 C 0.7898(7) -0.4529(7) 1.2108(5) 0.030(2) Uani 1 1 d . . .
H222 H 0.8031 -0.4675 1.1686 0.036 Uiso 1 1 calc R . .
C223 C 0.8299(7) -0.4785(7) 1.2839(6) 0.033(3) Uani 1 1 d . . .
H223 H 0.8753 -0.5141 1.2994 0.040 Uiso 1 1 calc R . .
C224 C 0.7928(7) -0.4435(6) 1.3316(5) 0.025(2) Uani 1 1 d . . .
H224 H 0.8094 -0.4508 1.3839 0.030 Uiso 1 1 calc R . .
C225 C 0.5732(8) -0.5210(8) 1.2492(6) 0.037(3) Uani 1 1 d . . .
H225 H 0.5359 -0.4900 1.2643 0.044 Uiso 1 1 calc R . .
C226 C 0.6359(9) -0.5686(7) 1.2964(7) 0.036(3) Uani 1 1 d . . .
H226 H 0.6491 -0.5751 1.3484 0.043 Uiso 1 1 calc R . .
C227 C 0.6757(9) -0.6053(7) 1.2520(6) 0.038(3) Uani 1 1 d . . .
H227 H 0.7206 -0.6412 1.2691 0.046 Uiso 1 1 calc R . .
C228 C 0.6380(9) -0.5798(8) 1.1784(6) 0.043(3) Uani 1 1 d . . .
H228 H 0.6528 -0.5956 1.1373 0.052 Uiso 1 1 calc R . .
C229 C 0.5734(8) -0.5259(8) 1.1760(6) 0.041(3) Uani 1 1 d . . .
H229 H 0.5378 -0.4989 1.1337 0.050 Uiso 1 1 calc R . .
C231 C 0.6218(6) 0.0472(6) 1.0384(5) 0.0150(18) Uani 1 1 d . . .
C232 C 0.6425(7) 0.0940(6) 0.9913(5) 0.023(2) Uani 1 1 d . . .
H232 H 0.6992 0.0915 0.9867 0.027 Uiso 1 1 calc R . .
C233 C 0.5796(8) 0.1457(7) 0.9500(6) 0.028(2) Uani 1 1 d . . .
H233 H 0.5945 0.1798 0.9195 0.034 Uiso 1 1 calc R . .
C234 C 0.4965(8) 0.1456(7) 0.9546(6) 0.034(3) Uani 1 1 d . . .
H234 H 0.4533 0.1793 0.9257 0.041 Uiso 1 1 calc R . .
C235 C 0.4738(7) 0.0972(6) 1.0007(6) 0.027(2) Uani 1 1 d . . .
H235 H 0.4159 0.0976 1.0030 0.033 Uiso 1 1 calc R . .
C236 C 0.5373(7) 0.0488(6) 1.0428(5) 0.021(2) Uani 1 1 d . . .
H236 H 0.5232 0.0162 1.0750 0.025 Uiso 1 1 calc R . .
C241 C 0.6740(7) -0.1014(7) 1.0424(5) 0.022(2) Uani 1 1 d . . .
C242 C 0.7223(8) -0.1639(7) 1.0712(6) 0.026(2) Uani 1 1 d . . .
H242 H 0.7700 -0.1623 1.1181 0.031 Uiso 1 1 calc R . .
C243 C 0.7018(8) -0.2280(6) 1.0324(6) 0.029(3) Uani 1 1 d . . .
H243 H 0.7348 -0.2702 1.0534 0.035 Uiso 1 1 calc R . .
C244 C 0.6353(8) -0.2319(6) 0.9646(6) 0.029(3) Uani 1 1 d . . .
H244 H 0.6222 -0.2762 0.9381 0.034 Uiso 1 1 calc R . .
C245 C 0.5864(8) -0.1705(7) 0.9341(6) 0.031(3) Uani 1 1 d . . .
H245 H 0.5394 -0.1729 0.8868 0.037 Uiso 1 1 calc R . .
C246 C 0.6058(6) -0.1061(7) 0.9724(5) 0.020(2) Uani 1 1 d . . .
H246 H 0.5723 -0.0643 0.9509 0.024 Uiso 1 1 calc R . .
C251 C 0.8077(6) 0.0044(6) 1.0918(5) 0.017(2) Uani 1 1 d . . .
C252 C 0.8701(7) 0.0441(6) 1.1497(5) 0.021(2) Uani 1 1 d . . .
H252 H 0.8545 0.0591 1.1907 0.025 Uiso 1 1 calc R . .
C253 C 0.9528(7) 0.0622(7) 1.1492(6) 0.024(2) Uani 1 1 d . . .
H253 H 0.9931 0.0901 1.1885 0.029 Uiso 1 1 calc R . .
C254 C 0.9763(7) 0.0387(6) 1.0895(5) 0.019(2) Uani 1 1 d . . .
H254 H 1.0335 0.0497 1.0887 0.023 Uiso 1 1 calc R . .
C255 C 0.9163(7) -0.0008(6) 1.0312(5) 0.025(2) Uani 1 1 d . . .
H255 H 0.9331 -0.0170 0.9913 0.030 Uiso 1 1 calc R . .
C256 C 0.8321(7) -0.0164(6) 1.0313(5) 0.022(2) Uani 1 1 d . . .
H256 H 0.7907 -0.0414 0.9902 0.026 Uiso 1 1 calc R . .
C261 C 0.7365(7) 0.1638(6) 1.2184(5) 0.020(2) Uani 1 1 d . . .
C262 C 0.8190(7) 0.1975(6) 1.2551(5) 0.029(2) Uani 1 1 d . . .
H262 H 0.8575 0.1799 1.3022 0.034 Uiso 1 1 calc R . .
C263 C 0.8440(8) 0.2558(7) 1.2231(6) 0.035(3) Uani 1 1 d . . .
H263 H 0.9005 0.2775 1.2475 0.042 Uiso 1 1 calc R . .
C264 C 0.7872(8) 0.2830(6) 1.1553(5) 0.031(2) Uani 1 1 d . . .
H264 H 0.8044 0.3237 1.1337 0.038 Uiso 1 1 calc R . .
C265 C 0.7054(7) 0.2505(6) 1.1192(5) 0.031(2) Uani 1 1 d . . .
H265 H 0.6667 0.2686 1.0725 0.037 Uiso 1 1 calc R . .
C266 C 0.6795(6) 0.1911(6) 1.1515(5) 0.022(2) Uani 1 1 d . . .
H266 H 0.6228 0.1697 1.1274 0.027 Uiso 1 1 calc R . .
C271 C 0.5890(7) 0.1169(7) 1.2553(6) 0.029(2) Uani 1 1 d . . .
C272 C 0.5221(8) 0.0669(8) 1.2400(6) 0.034(3) Uani 1 1 d . . .
H272 H 0.5318 0.0185 1.2288 0.041 Uiso 1 1 calc R . .
C273 C 0.4395(8) 0.0881(9) 1.2414(7) 0.047(4) Uani 1 1 d . . .
H273 H 0.3933 0.0536 1.2328 0.057 Uiso 1 1 calc R . .
C274 C 0.4252(9) 0.1580(10) 1.2550(7) 0.061(5) Uani 1 1 d . . .
H274 H 0.3693 0.1725 1.2564 0.073 Uiso 1 1 calc R . .
C275 C 0.4918(10) 0.2075(8) 1.2667(7) 0.057(4) Uani 1 1 d . . .
H275 H 0.4811 0.2566 1.2745 0.068 Uiso 1 1 calc R . .
C276 C 0.5738(8) 0.1871(7) 1.2673(6) 0.037(3) Uani 1 1 d . . .
H276 H 0.6198 0.2218 1.2761 0.044 Uiso 1 1 calc R . .
C281 C 0.7698(6) 0.0908(6) 1.3577(5) 0.0165(18) Uani 1 1 d . . .
C282 C 0.8540(6) 0.0591(6) 1.3787(5) 0.020(2) Uani 1 1 d . . .
H282 H 0.8721 0.0377 1.3416 0.024 Uiso 1 1 calc R . .
C283 C 0.9112(7) 0.0581(6) 1.4520(5) 0.026(2) Uani 1 1 d . . .
H283 H 0.9678 0.0357 1.4652 0.031 Uiso 1 1 calc R . .
C284 C 0.8858(7) 0.0900(6) 1.5069(5) 0.030(2) Uani 1 1 d . . .
H284 H 0.9258 0.0910 1.5574 0.036 Uiso 1 1 calc R . .
C285 C 0.8022(7) 0.1202(5) 1.4873(5) 0.029(2) Uani 1 1 d . . .
H285 H 0.7838 0.1400 1.5250 0.034 Uiso 1 1 calc R . .
C286 C 0.7447(6) 0.1220(4) 1.4133(5) 0.0191(18) Uani 1 1 d . . .
H286 H 0.6882 0.1445 1.4005 0.023 Uiso 1 1 calc R . .
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'
N N 0.0061 0.0033 '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'
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
C113 Pt1 C112 36.3(4) . . ?
C113 Pt1 P1 106.4(3) . . ?
C112 Pt1 P1 142.7(3) . . ?
C113 Pt1 P2 146.2(3) . . ?
C112 Pt1 P2 109.9(3) . . ?
P1 Pt1 P2 107.25(10) . . ?
C151 P1 C131 102.3(4) . . ?
C151 P1 C141 105.3(5) . . ?
C131 P1 C141 100.8(5) . . ?
C151 P1 Pt1 114.4(3) . . ?
C131 P1 Pt1 114.8(3) . . ?
C141 P1 Pt1 117.3(3) . . ?
C129 Fe1 C122 115.8(4) . . ?
C129 Fe1 C124 166.1(5) . . ?
C122 Fe1 C124 68.4(4) . . ?
C129 Fe1 C125 40.8(5) . . ?
C122 Fe1 C125 105.6(4) . . ?
C124 Fe1 C125 152.9(5) . . ?
C129 Fe1 C126 68.4(5) . . ?
C122 Fe1 C126 126.8(5) . . ?
C124 Fe1 C126 120.8(5) . . ?
C125 Fe1 C126 40.5(5) . . ?
C129 Fe1 C128 40.7(4) . . ?
C122 Fe1 C128 150.1(4) . . ?
C124 Fe1 C128 129.6(4) . . ?
C125 Fe1 C128 68.9(5) . . ?
C126 Fe1 C128 69.0(5) . . ?
C129 Fe1 C123 150.9(4) . . ?
C122 Fe1 C123 41.3(4) . . ?
C124 Fe1 C123 40.3(4) . . ?
C125 Fe1 C123 117.7(4) . . ?
C126 Fe1 C123 108.4(5) . . ?
C128 Fe1 C123 167.5(4) . . ?
C129 Fe1 C127 68.4(5) . . ?
C122 Fe1 C127 166.0(5) . . ?
C124 Fe1 C127 110.9(4) . . ?
C125 Fe1 C127 68.3(4) . . ?
C126 Fe1 C127 40.7(5) . . ?
C128 Fe1 C127 41.2(5) . . ?
C123 Fe1 C127 129.1(5) . . ?
C129 Fe1 C120 126.3(5) . . ?
C122 Fe1 C120 68.2(4) . . ?
C124 Fe1 C120 41.2(4) . . ?
C125 Fe1 C120 163.2(4) . . ?
C126 Fe1 C120 155.4(4) . . ?
C128 Fe1 C120 108.2(5) . . ?
C123 Fe1 C120 68.7(4) . . ?
C127 Fe1 C120 121.1(4) . . ?
C129 Fe1 C121 105.3(5) . . ?
C122 Fe1 C121 40.1(5) . . ?
C124 Fe1 C121 68.8(4) . . ?
C125 Fe1 C121 124.6(4) . . ?
C126 Fe1 C121 162.8(5) . . ?
C128 Fe1 C121 117.4(5) . . ?
C123 Fe1 C121 68.7(4) . . ?
C127 Fe1 C121 153.7(5) . . ?
C120 Fe1 C121 40.9(4) . . ?
C171 P2 C181 100.4(5) . . ?
C171 P2 C161 104.3(4) . . ?
C181 P2 C161 101.4(4) . . ?
C171 P2 Pt1 112.9(4) . . ?
C181 P2 Pt1 123.8(3) . . ?
C161 P2 Pt1 111.7(3) . . ?
C213 Pt2 C212 36.6(4) . . ?
C213 Pt2 P3 105.7(3) . . ?
C212 Pt2 P3 142.3(3) . . ?
C213 Pt2 P4 148.2(3) . . ?
C212 Pt2 P4 111.8(3) . . ?
P3 Pt2 P4 105.95(10) . . ?
C220 Fe2 C228 159.4(5) . . ?
C220 Fe2 C223 68.7(5) . . ?
C228 Fe2 C223 122.0(5) . . ?
C220 Fe2 C227 158.5(4) . . ?
C228 Fe2 C227 40.3(5) . . ?
C223 Fe2 C227 108.9(5) . . ?
C220 Fe2 C224 41.2(4) . . ?
C228 Fe2 C224 157.9(5) . . ?
C223 Fe2 C224 40.8(4) . . ?
C227 Fe2 C224 123.0(5) . . ?
C220 Fe2 C229 122.2(5) . . ?
C228 Fe2 C229 41.2(5) . . ?
C223 Fe2 C229 157.0(4) . . ?
C227 Fe2 C229 68.6(6) . . ?
C224 Fe2 C229 159.9(5) . . ?
C220 Fe2 C225 107.7(5) . . ?
C228 Fe2 C225 67.8(5) . . ?
C223 Fe2 C225 161.5(4) . . ?
C227 Fe2 C225 67.4(6) . . ?
C224 Fe2 C225 124.7(4) . . ?
C229 Fe2 C225 40.4(4) . . ?
C220 Fe2 C221 41.4(4) . . ?
C228 Fe2 C221 122.6(5) . . ?
C223 Fe2 C221 67.6(5) . . ?
C227 Fe2 C221 159.1(5) . . ?
C224 Fe2 C221 68.8(4) . . ?
C229 Fe2 C221 106.1(5) . . ?
C225 Fe2 C221 122.5(5) . . ?
C220 Fe2 C226 122.2(4) . . ?
C228 Fe2 C226 68.2(5) . . ?
C223 Fe2 C226 125.4(5) . . ?
C227 Fe2 C226 40.5(5) . . ?
C224 Fe2 C226 108.5(5) . . ?
C229 Fe2 C226 68.6(5) . . ?
C225 Fe2 C226 40.0(5) . . ?
C221 Fe2 C226 158.2(5) . . ?
C220 Fe2 C222 69.2(4) . . ?
C228 Fe2 C222 106.8(5) . . ?
C223 Fe2 C222 39.9(4) . . ?
C227 Fe2 C222 123.6(5) . . ?
C224 Fe2 C222 68.6(4) . . ?
C229 Fe2 C222 121.0(4) . . ?
C225 Fe2 C222 157.5(5) . . ?
C221 Fe2 C222 40.5(5) . . ?
C226 Fe2 C222 160.4(5) . . ?
C251 P3 C231 105.7(5) . . ?
C251 P3 C241 101.1(5) . . ?
C231 P3 C241 103.0(4) . . ?
C251 P3 Pt2 116.1(3) . . ?
C231 P3 Pt2 115.0(3) . . ?
C241 P3 Pt2 114.2(3) . . ?
C281 P4 C261 102.4(4) . . ?
C281 P4 C271 103.8(5) . . ?
C261 P4 C271 100.3(5) . . ?
C281 P4 Pt2 110.7(4) . . ?
C261 P4 Pt2 122.9(3) . . ?
C271 P4 Pt2 114.5(4) . . ?
N118 C101 C109 115.0(7) . . ?
N118 C101 C102 115.2(6) . . ?
C109 C101 C102 108.6(7) . . ?
N118 C101 H101 105.7 . . ?
C109 C101 H101 105.7 . . ?
C102 C101 H101 105.7 . . ?
C103 C102 C101 115.5(6) . . ?
C103 C102 H10A 108.4 . . ?
C101 C102 H10A 108.4 . . ?
C103 C102 H10B 108.4 . . ?
C101 C102 H10B 108.4 . . ?
H10A C102 H10B 107.5 . . ?
C108 C103 C104 118.0(8) . . ?
C108 C103 C102 122.5(7) . . ?
C104 C103 C102 119.5(7) . . ?
C105 C104 C103 121.7(9) . . ?
C105 C104 H104 119.1 . . ?
C103 C104 H104 119.1 . . ?
C104 C105 C106 119.8(9) . . ?
C104 C105 H105 120.1 . . ?
C106 C105 H105 120.1 . . ?
C105 C106 C107 118.8(9) . . ?
C105 C106 H106 120.6 . . ?
C107 C106 H106 120.6 . . ?
C108 C107 C106 120.3(10) . . ?
C108 C107 H107 119.8 . . ?
C106 C107 H107 119.8 . . ?
C103 C108 C107 121.3(9) . . ?
C103 C108 H108 119.3 . . ?
C107 C108 H108 119.3 . . ?
O109 C109 N110 123.4(10) . . ?
O109 C109 C101 120.8(9) . . ?
N110 C109 C101 115.9(8) . . ?
C109 N110 C111 127.1(8) . . ?
C109 N110 H110 116.5 . . ?
C111 N110 H110 116.5 . . ?
N110 C111 C112 106.2(8) . . ?
N110 C111 C114 109.1(8) . . ?
C112 C111 C114 109.8(8) . . ?
N110 C111 C116 110.6(8) . . ?
C112 C111 C116 110.7(8) . . ?
C114 C111 C116 110.3(7) . . ?
C113 C112 C111 141.9(10) . . ?
C113 C112 Pt1 71.1(6) . . ?
C111 C112 Pt1 145.8(7) . . ?
C112 C113 Pt1 72.6(7) . . ?
C112 C113 H113 143.7 . . ?
Pt1 C113 H113 143.7 . . ?
C115 C114 C111 115.0(7) . . ?
C115 C114 H11A 108.5 . . ?
C111 C114 H11A 108.5 . . ?
C115 C114 H11B 108.5 . . ?
C111 C114 H11B 108.5 . . ?
H11A C114 H11B 107.5 . . ?
C114 C115 H11C 109.5 . . ?
C114 C115 H11D 109.5 . . ?
H11C C115 H11D 109.5 . . ?
C114 C115 H11E 109.5 . . ?
H11C C115 H11E 109.5 . . ?
H11D C115 H11E 109.5 . . ?
C117 C116 C111 112.8(7) . . ?
C117 C116 H11F 109.0 . . ?
C111 C116 H11F 109.0 . . ?
C117 C116 H11G 109.0 . . ?
C111 C116 H11G 109.0 . . ?
H11F C116 H11G 107.8 . . ?
C116 C117 H11H 109.5 . . ?
C116 C117 H11I 109.5 . . ?
H11H C117 H11I 109.5 . . ?
C116 C117 H11J 109.5 . . ?
H11H C117 H11J 109.5 . . ?
H11I C117 H11J 109.5 . . ?
C119 N118 C101 126.8(8) . . ?
C119 N118 H118 116.6 . . ?
C101 N118 H118 116.6 . . ?
O119 C119 N118 123.2(10) . . ?
O119 C119 C120 119.1(8) . . ?
N118 C119 C120 117.7(9) . . ?
C121 C120 C124 107.1(9) . . ?
C121 C120 C119 124.2(9) . . ?
C124 C120 C119 128.6(8) . . ?
C121 C120 Fe1 69.7(6) . . ?
C124 C120 Fe1 68.8(6) . . ?
C119 C120 Fe1 124.1(7) . . ?
C122 C121 C120 107.7(9) . . ?
C122 C121 Fe1 68.9(7) . . ?
C120 C121 Fe1 69.4(6) . . ?
C122 C121 H121 126.1 . . ?
C120 C121 H121 126.1 . . ?
Fe1 C121 H121 127.1 . . ?
C121 C122 C123 109.4(9) . . ?
C121 C122 Fe1 71.0(6) . . ?
C123 C122 Fe1 70.1(6) . . ?
C121 C122 H122 125.3 . . ?
C123 C122 H122 125.3 . . ?
Fe1 C122 H122 125.2 . . ?
C124 C123 C122 106.9(9) . . ?
C124 C123 Fe1 69.4(6) . . ?
C122 C123 Fe1 68.6(6) . . ?
C124 C123 H123 126.6 . . ?
C122 C123 H123 126.6 . . ?
Fe1 C123 H123 126.9 . . ?
C123 C124 C120 108.8(8) . . ?
C123 C124 Fe1 70.3(6) . . ?
C120 C124 Fe1 70.0(5) . . ?
C123 C124 H124 125.6 . . ?
C120 C124 H124 125.6 . . ?
Fe1 C124 H124 125.7 . . ?
C126 C125 C129 107.8(9) . . ?
C126 C125 Fe1 69.9(7) . . ?
C129 C125 Fe1 68.9(7) . . ?
C126 C125 H125 126.1 . . ?
C129 C125 H125 126.1 . . ?
Fe1 C125 H125 126.7 . . ?
C125 C126 C127 108.1(11) . . ?
C125 C126 Fe1 69.6(7) . . ?
C127 C126 Fe1 69.8(7) . . ?
C125 C126 H126 125.9 . . ?
C127 C126 H126 125.9 . . ?
Fe1 C126 H126 126.2 . . ?
C126 C127 C128 108.2(10) . . ?
C126 C127 Fe1 69.6(7) . . ?
C128 C127 Fe1 69.3(6) . . ?
C126 C127 H127 125.9 . . ?
C128 C127 H127 125.9 . . ?
Fe1 C127 H127 126.8 . . ?
C129 C128 C127 106.6(11) . . ?
C129 C128 Fe1 68.8(6) . . ?
C127 C128 Fe1 69.5(6) . . ?
C129 C128 H128 126.7 . . ?
C127 C128 H128 126.7 . . ?
Fe1 C128 H128 126.6 . . ?
C128 C129 C125 109.3(10) . . ?
C128 C129 Fe1 70.5(6) . . ?
C125 C129 Fe1 70.3(6) . . ?
C128 C129 H129 125.4 . . ?
C125 C129 H129 125.4 . . ?
Fe1 C129 H129 125.5 . . ?
C136 C131 C132 118.5(10) . . ?
C136 C131 P1 123.0(8) . . ?
C132 C131 P1 118.5(7) . . ?
C133 C132 C131 120.6(9) . . ?
C133 C132 H132 119.7 . . ?
C131 C132 H132 119.7 . . ?
C132 C133 C134 120.2(11) . . ?
C132 C133 H133 119.9 . . ?
C134 C133 H133 119.9 . . ?
C135 C134 C133 119.7(12) . . ?
C135 C134 H134 120.2 . . ?
C133 C134 H134 120.2 . . ?
C134 C135 C136 120.0(10) . . ?
C134 C135 H135 120.0 . . ?
C136 C135 H135 120.0 . . ?
C131 C136 C135 121.0(11) . . ?
C131 C136 H136 119.5 . . ?
C135 C136 H136 119.5 . . ?
C142 C141 C146 119.7(9) . . ?
C142 C141 P1 117.8(8) . . ?
C146 C141 P1 122.4(7) . . ?
C141 C142 C143 119.6(9) . . ?
C141 C142 H142 120.2 . . ?
C143 C142 H142 120.2 . . ?
C144 C143 C142 120.4(10) . . ?
C144 C143 H143 119.8 . . ?
C142 C143 H143 119.8 . . ?
C145 C144 C143 120.1(10) . . ?
C145 C144 H144 120.0 . . ?
C143 C144 H144 120.0 . . ?
C144 C145 C146 120.6(9) . . ?
C144 C145 H145 119.7 . . ?
C146 C145 H145 119.7 . . ?
C141 C146 C145 119.6(9) . . ?
C141 C146 H146 120.2 . . ?
C145 C146 H146 120.2 . . ?
C156 C151 C152 118.3(10) . . ?
C156 C151 P1 117.4(8) . . ?
C152 C151 P1 124.3(8) . . ?
C153 C152 C151 120.6(11) . . ?
C153 C152 H152 119.7 . . ?
C151 C152 H152 119.7 . . ?
C152 C153 C154 121.9(11) . . ?
C152 C153 H153 119.1 . . ?
C154 C153 H153 119.1 . . ?
C153 C154 C155 118.3(10) . . ?
C153 C154 H154 120.8 . . ?
C155 C154 H154 120.8 . . ?
C156 C155 C154 121.0(11) . . ?
C156 C155 H155 119.5 . . ?
C154 C155 H155 119.5 . . ?
C155 C156 C151 119.9(11) . . ?
C155 C156 H156 120.1 . . ?
C151 C156 H156 120.1 . . ?
C166 C161 C162 118.8(8) . . ?
C166 C161 P2 123.9(7) . . ?
C162 C161 P2 117.1(7) . . ?
C163 C162 C161 119.4(9) . . ?
C163 C162 H162 120.3 . . ?
C161 C162 H162 120.3 . . ?
C164 C163 C162 120.2(9) . . ?
C164 C163 H163 119.9 . . ?
C162 C163 H163 119.9 . . ?
C165 C164 C163 120.9(8) . . ?
C165 C164 H164 119.5 . . ?
C163 C164 H164 119.5 . . ?
C164 C165 C166 119.2(9) . . ?
C164 C165 H165 120.4 . . ?
C166 C165 H165 120.4 . . ?
C161 C166 C165 121.3(8) . . ?
C161 C166 H166 119.3 . . ?
C165 C166 H166 119.3 . . ?
C176 C171 C172 117.8(10) . . ?
C176 C171 P2 120.2(9) . . ?
C172 C171 P2 122.0(8) . . ?
C173 C172 C171 119.7(11) . . ?
C173 C172 H172 120.1 . . ?
C171 C172 H172 120.1 . . ?
C174 C173 C172 120.4(12) . . ?
C174 C173 H173 119.8 . . ?
C172 C173 H173 119.8 . . ?
C173 C174 C175 120.2(12) . . ?
C173 C174 H174 119.9 . . ?
C175 C174 H174 119.9 . . ?
C176 C175 C174 119.6(13) . . ?
C176 C175 H175 120.2 . . ?
C174 C175 H175 120.2 . . ?
C175 C176 C171 122.2(12) . . ?
C175 C176 H176 118.9 . . ?
C171 C176 H176 118.9 . . ?
C182 C181 C186 117.6(9) . . ?
C182 C181 P2 124.2(7) . . ?
C186 C181 P2 118.1(7) . . ?
C181 C182 C183 120.8(9) . . ?
C181 C182 H182 119.6 . . ?
C183 C182 H182 119.6 . . ?
C184 C183 C182 119.6(10) . . ?
C184 C183 H183 120.2 . . ?
C182 C183 H183 120.2 . . ?
C185 C184 C183 120.7(10) . . ?
C185 C184 H184 119.7 . . ?
C183 C184 H184 119.7 . . ?
C184 C185 C186 119.7(9) . . ?
C184 C185 H185 120.1 . . ?
C186 C185 H185 120.1 . . ?
C185 C186 C181 121.6(9) . . ?
C185 C186 H186 119.2 . . ?
C181 C186 H186 119.2 . . ?
N218 C201 C202 112.9(6) . . ?
N218 C201 C209 108.8(7) . . ?
C202 C201 C209 110.9(6) . . ?
N218 C201 H201 108.0 . . ?
C202 C201 H201 108.0 . . ?
C209 C201 H201 108.0 . . ?
C203 C202 C201 114.3(6) . . ?
C203 C202 H20A 108.7 . . ?
C201 C202 H20A 108.7 . . ?
C203 C202 H20B 108.7 . . ?
C201 C202 H20B 108.7 . . ?
H20A C202 H20B 107.6 . . ?
C204 C203 C208 118.4(8) . . ?
C204 C203 C202 120.0(7) . . ?
C208 C203 C202 121.5(7) . . ?
C205 C204 C203 119.9(9) . . ?
C205 C204 H204 120.1 . . ?
C203 C204 H204 120.1 . . ?
C206 C205 C204 121.6(10) . . ?
C206 C205 H205 119.2 . . ?
C204 C205 H205 119.2 . . ?
C205 C206 C207 120.4(9) . . ?
C205 C206 H206 119.8 . . ?
C207 C206 H206 119.8 . . ?
C206 C207 C208 119.7(9) . . ?
C206 C207 H207 120.2 . . ?
C208 C207 H207 120.2 . . ?
C203 C208 C207 120.0(9) . . ?
C203 C208 H208 120.0 . . ?
C207 C208 H208 120.0 . . ?
O209 C209 N210 126.6(10) . . ?
O209 C209 C201 121.3(8) . . ?
N210 C209 C201 112.1(8) . . ?
C209 N210 C211 124.4(8) . . ?
C209 N210 H210 117.8 . . ?
C211 N210 H210 117.8 . . ?
N210 C211 C212 104.2(8) . . ?
N210 C211 C214 110.9(8) . . ?
C212 C211 C214 113.0(9) . . ?
N210 C211 C216 109.8(8) . . ?
C212 C211 C216 108.5(8) . . ?
C214 C211 C216 110.2(8) . . ?
C213 C212 C211 141.8(11) . . ?
C213 C212 Pt2 71.2(6) . . ?
C211 C212 Pt2 146.8(8) . . ?
C212 C213 Pt2 72.2(7) . . ?
C212 C213 H213 143.9 . . ?
Pt2 C213 H213 143.9 . . ?
C215 C214 C211 114.2(9) . . ?
C215 C214 H21A 108.7 . . ?
C211 C214 H21A 108.7 . . ?
C215 C214 H21B 108.7 . . ?
C211 C214 H21B 108.7 . . ?
H21A C214 H21B 107.6 . . ?
C214 C215 H21C 109.5 . . ?
C214 C215 H21D 109.5 . . ?
H21C C215 H21D 109.5 . . ?
C214 C215 H21E 109.5 . . ?
H21C C215 H21E 109.5 . . ?
H21D C215 H21E 109.5 . . ?
C217 C216 C211 114.7(8) . . ?
C217 C216 H21F 108.6 . . ?
C211 C216 H21F 108.6 . . ?
C217 C216 H21G 108.6 . . ?
C211 C216 H21G 108.6 . . ?
H21F C216 H21G 107.6 . . ?
C216 C217 H21H 109.5 . . ?
C216 C217 H21I 109.5 . . ?
H21H C217 H21I 109.5 . . ?
C216 C217 H21J 109.5 . . ?
H21H C217 H21J 109.5 . . ?
H21I C217 H21J 109.5 . . ?
C219 N218 C201 122.6(7) . . ?
C219 N218 H218 118.7 . . ?
C201 N218 H218 118.7 . . ?
O219 C219 N218 120.7(9) . . ?
O219 C219 C220 122.8(8) . . ?
N218 C219 C220 116.6(8) . . ?
C224 C220 C221 107.3(9) . . ?
C224 C220 C219 131.0(8) . . ?
C221 C220 C219 121.7(9) . . ?
C224 C220 Fe2 70.2(6) . . ?
C221 C220 Fe2 70.2(7) . . ?
C219 C220 Fe2 124.3(7) . . ?
C222 C221 C220 108.4(9) . . ?
C222 C221 Fe2 70.6(7) . . ?
C220 C221 Fe2 68.3(6) . . ?
C222 C221 H221 125.8 . . ?
C220 C221 H221 125.8 . . ?
Fe2 C221 H221 126.9 . . ?
C223 C222 C221 107.1(8) . . ?
C223 C222 Fe2 69.0(6) . . ?
C221 C222 Fe2 68.9(6) . . ?
C223 C222 H222 126.5 . . ?
C221 C222 H222 126.5 . . ?
Fe2 C222 H222 127.2 . . ?
C222 C223 C224 110.1(10) . . ?
C222 C223 Fe2 71.1(7) . . ?
C224 C223 Fe2 69.7(6) . . ?
C222 C223 H223 125.0 . . ?
C224 C223 H223 125.0 . . ?
Fe2 C223 H223 125.9 . . ?
C223 C224 C220 107.0(8) . . ?
C223 C224 Fe2 69.6(6) . . ?
C220 C224 Fe2 68.6(6) . . ?
C223 C224 H224 126.5 . . ?
C220 C224 H224 126.5 . . ?
Fe2 C224 H224 126.9 . . ?
C226 C225 C229 110.1(12) . . ?
C226 C225 Fe2 70.3(7) . . ?
C229 C225 Fe2 69.8(7) . . ?
C226 C225 H225 125.0 . . ?
C229 C225 H225 125.0 . . ?
Fe2 C225 H225 126.6 . . ?
C225 C226 C227 107.0(11) . . ?
C225 C226 Fe2 69.6(7) . . ?
C227 C226 Fe2 69.3(7) . . ?
C225 C226 H226 126.5 . . ?
C227 C226 H226 126.5 . . ?
Fe2 C226 H226 126.1 . . ?
C228 C227 C226 108.6(12) . . ?
C228 C227 Fe2 69.7(8) . . ?
C226 C227 Fe2 70.2(8) . . ?
C228 C227 H227 125.7 . . ?
C226 C227 H227 125.7 . . ?
Fe2 C227 H227 126.0 . . ?
C227 C228 C229 108.2(10) . . ?
C227 C228 Fe2 70.0(7) . . ?
C229 C228 Fe2 69.6(7) . . ?
C227 C228 H228 125.9 . . ?
C229 C228 H228 125.9 . . ?
Fe2 C228 H228 126.1 . . ?
C225 C229 C228 106.1(11) . . ?
C225 C229 Fe2 69.8(6) . . ?
C228 C229 Fe2 69.2(7) . . ?
C225 C229 H229 127.0 . . ?
C228 C229 H229 127.0 . . ?
Fe2 C229 H229 125.7 . . ?
C232 C231 C236 120.0(9) . . ?
C232 C231 P3 122.9(8) . . ?
C236 C231 P3 117.1(7) . . ?
C231 C232 C233 120.1(10) . . ?
C231 C232 H232 120.0 . . ?
C233 C232 H232 120.0 . . ?
C234 C233 C232 118.8(10) . . ?
C234 C233 H233 120.6 . . ?
C232 C233 H233 120.6 . . ?
C233 C234 C235 121.7(11) . . ?
C233 C234 H234 119.2 . . ?
C235 C234 H234 119.2 . . ?
C236 C235 C234 118.6(11) . . ?
C236 C235 H235 120.7 . . ?
C234 C235 H235 120.7 . . ?
C235 C236 C231 120.7(10) . . ?
C235 C236 H236 119.6 . . ?
C231 C236 H236 119.6 . . ?
C242 C241 C246 117.5(11) . . ?
C242 C241 P3 119.0(8) . . ?
C246 C241 P3 123.5(9) . . ?
C243 C242 C241 120.9(11) . . ?
C243 C242 H242 119.6 . . ?
C241 C242 H242 119.6 . . ?
C244 C243 C242 121.0(11) . . ?
C244 C243 H243 119.5 . . ?
C242 C243 H243 119.5 . . ?
C243 C244 C245 119.5(11) . . ?
C243 C244 H244 120.2 . . ?
C245 C244 H244 120.2 . . ?
C246 C245 C244 120.1(10) . . ?
C246 C245 H245 120.0 . . ?
C244 C245 H245 120.0 . . ?
C245 C246 C241 121.0(11) . . ?
C245 C246 H246 119.5 . . ?
C241 C246 H246 119.5 . . ?
C252 C251 C256 117.6(9) . . ?
C252 C251 P3 119.5(7) . . ?
C256 C251 P3 123.0(8) . . ?
C253 C252 C251 122.5(9) . . ?
C253 C252 H252 118.7 . . ?
C251 C252 H252 118.7 . . ?
C252 C253 C254 118.6(10) . . ?
C252 C253 H253 120.7 . . ?
C254 C253 H253 120.7 . . ?
C255 C254 C253 120.5(10) . . ?
C255 C254 H254 119.8 . . ?
C253 C254 H254 119.8 . . ?
C256 C255 C254 120.3(10) . . ?
C256 C255 H255 119.9 . . ?
C254 C255 H255 119.9 . . ?
C255 C256 C251 120.5(9) . . ?
C255 C256 H256 119.7 . . ?
C251 C256 H256 119.7 . . ?
C266 C261 C262 119.7(10) . . ?
C266 C261 P4 118.3(8) . . ?
C262 C261 P4 122.0(8) . . ?
C263 C262 C261 120.1(10) . . ?
C263 C262 H262 120.0 . . ?
C261 C262 H262 120.0 . . ?
C262 C263 C264 120.4(10) . . ?
C262 C263 H263 119.8 . . ?
C264 C263 H263 119.8 . . ?
C265 C264 C263 119.6(11) . . ?
C265 C264 H264 120.2 . . ?
C263 C264 H264 120.2 . . ?
C264 C265 C266 120.2(9) . . ?
C264 C265 H265 119.9 . . ?
C266 C265 H265 119.9 . . ?
C261 C266 C265 119.9(9) . . ?
C261 C266 H266 120.1 . . ?
C265 C266 H266 120.1 . . ?
C276 C271 C272 120.5(11) . . ?
C276 C271 P4 122.1(9) . . ?
C272 C271 P4 117.4(9) . . ?
C271 C272 C273 119.1(14) . . ?
C271 C272 H272 120.4 . . ?
C273 C272 H272 120.4 . . ?
C274 C273 C272 120.0(15) . . ?
C274 C273 H273 120.0 . . ?
C272 C273 H273 120.0 . . ?
C273 C274 C275 119.7(13) . . ?
C273 C274 H274 120.2 . . ?
C275 C274 H274 120.2 . . ?
C274 C275 C276 120.9(14) . . ?
C274 C275 H275 119.6 . . ?
C276 C275 H275 119.6 . . ?
C271 C276 C275 119.7(13) . . ?
C271 C276 H276 120.2 . . ?
C275 C276 H276 120.2 . . ?
C282 C281 C286 118.2(8) . . ?
C282 C281 P4 116.4(7) . . ?
C286 C281 P4 125.4(7) . . ?
C283 C282 C281 121.5(9) . . ?
C283 C282 H282 119.3 . . ?
C281 C282 H282 119.3 . . ?
C282 C283 C284 119.8(10) . . ?
C282 C283 H283 120.1 . . ?
C284 C283 H283 120.1 . . ?
C285 C284 C283 119.4(9) . . ?
C285 C284 H284 120.3 . . ?
C283 C284 H284 120.3 . . ?
C284 C285 C286 120.9(9) . . ?
C284 C285 H285 119.6 . . ?
C286 C285 H285 119.6 . . ?
C285 C286 C281 120.1(8) . . ?
C285 C286 H286 119.9 . . ?
C281 C286 H286 119.9 . . ?
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 C113 2.035(11) . ?
Pt1 C112 2.053(10) . ?
Pt1 P1 2.270(2) . ?
Pt1 P2 2.293(3) . ?
P1 C151 1.810(11) . ?
P1 C131 1.838(10) . ?
P1 C141 1.843(10) . ?
Fe1 C129 2.030(10) . ?
Fe1 C122 2.034(11) . ?
Fe1 C124 2.042(9) . ?
Fe1 C125 2.049(11) . ?
Fe1 C126 2.052(13) . ?
Fe1 C128 2.052(11) . ?
Fe1 C123 2.053(11) . ?
Fe1 C127 2.054(11) . ?
Fe1 C120 2.058(11) . ?
Fe1 C121 2.062(11) . ?
P2 C171 1.814(10) . ?
P2 C181 1.845(10) . ?
P2 C161 1.850(8) . ?
Pt2 C213 2.064(12) . ?
Pt2 C212 2.076(10) . ?
Pt2 P3 2.275(2) . ?
Pt2 P4 2.282(3) . ?
Fe2 C220 2.016(11) . ?
Fe2 C228 2.033(12) . ?
Fe2 C223 2.037(11) . ?
Fe2 C227 2.037(14) . ?
Fe2 C224 2.038(10) . ?
Fe2 C229 2.039(12) . ?
Fe2 C225 2.040(12) . ?
Fe2 C221 2.042(12) . ?
Fe2 C226 2.049(12) . ?
Fe2 C222 2.064(12) . ?
P3 C251 1.805(10) . ?
P3 C231 1.838(10) . ?
P3 C241 1.839(12) . ?
P4 C281 1.831(9) . ?
P4 C261 1.853(11) . ?
P4 C271 1.860(11) . ?
C101 N118 1.455(10) . ?
C101 C109 1.527(13) . ?
C101 C102 1.551(10) . ?
C101 H101 1.0000 . ?
C102 C103 1.519(9) . ?
C102 H10A 0.9900 . ?
C102 H10B 0.9900 . ?
C103 C108 1.372(12) . ?
C103 C104 1.383(11) . ?
C104 C105 1.375(16) . ?
C104 H104 0.9500 . ?
C105 C106 1.384(15) . ?
C105 H105 0.9500 . ?
C106 C107 1.391(12) . ?
C106 H106 0.9500 . ?
C107 C108 1.374(14) . ?
C107 H107 0.9500 . ?
C108 H108 0.9500 . ?
O109 C109 1.235(12) . ?
C109 N110 1.360(12) . ?
N110 C111 1.487(14) . ?
N110 H110 0.8800 . ?
C111 C112 1.488(12) . ?
C111 C114 1.536(13) . ?
C111 C116 1.542(14) . ?
C112 C113 1.274(13) . ?
C113 H113 0.9500 . ?
C114 C115 1.511(12) . ?
C114 H11A 0.9900 . ?
C114 H11B 0.9900 . ?
C115 H11C 0.9800 . ?
C115 H11D 0.9800 . ?
C115 H11E 0.9800 . ?
C116 C117 1.511(11) . ?
C116 H11F 0.9900 . ?
C116 H11G 0.9900 . ?
C117 H11H 0.9800 . ?
C117 H11I 0.9800 . ?
C117 H11J 0.9800 . ?
N118 C119 1.343(11) . ?
N118 H118 0.8800 . ?
O119 C119 1.254(12) . ?
C119 C120 1.469(15) . ?
C120 C121 1.438(13) . ?
C120 C124 1.444(14) . ?
C121 C122 1.404(16) . ?
C121 H121 0.9500 . ?
C122 C123 1.442(14) . ?
C122 H122 0.9500 . ?
C123 C124 1.410(13) . ?
C123 H123 0.9500 . ?
C124 H124 0.9500 . ?
C125 C126 1.419(16) . ?
C125 C129 1.423(18) . ?
C125 H125 0.9500 . ?
C126 C127 1.426(17) . ?
C126 H126 0.9500 . ?
C127 C128 1.444(16) . ?
C127 H127 0.9500 . ?
C128 C129 1.421(15) . ?
C128 H128 0.9500 . ?
C129 H129 0.9500 . ?
C131 C136 1.396(12) . ?
C131 C132 1.401(14) . ?
C132 C133 1.393(16) . ?
C132 H132 0.9500 . ?
C133 C134 1.402(16) . ?
C133 H133 0.9500 . ?
C134 C135 1.383(17) . ?
C134 H134 0.9500 . ?
C135 C136 1.403(16) . ?
C135 H135 0.9500 . ?
C136 H136 0.9500 . ?
C141 C142 1.381(14) . ?
C141 C146 1.389(13) . ?
C142 C143 1.404(14) . ?
C142 H142 0.9500 . ?
C143 C144 1.368(15) . ?
C143 H143 0.9500 . ?
C144 C145 1.368(16) . ?
C144 H144 0.9500 . ?
C145 C146 1.397(14) . ?
C145 H145 0.9500 . ?
C146 H146 0.9500 . ?
C151 C156 1.403(15) . ?
C151 C152 1.409(16) . ?
C152 C153 1.369(16) . ?
C152 H152 0.9500 . ?
C153 C154 1.376(17) . ?
C153 H153 0.9500 . ?
C154 C155 1.401(18) . ?
C154 H154 0.9500 . ?
C155 C156 1.395(16) . ?
C155 H155 0.9500 . ?
C156 H156 0.9500 . ?
C161 C166 1.378(12) . ?
C161 C162 1.405(12) . ?
C162 C163 1.399(12) . ?
C162 H162 0.9500 . ?
C163 C164 1.375(14) . ?
C163 H163 0.9500 . ?
C164 C165 1.369(14) . ?
C164 H164 0.9500 . ?
C165 C166 1.398(12) . ?
C165 H165 0.9500 . ?
C166 H166 0.9500 . ?
C171 C176 1.389(15) . ?
C171 C172 1.435(15) . ?
C172 C173 1.395(16) . ?
C172 H172 0.9500 . ?
C173 C174 1.382(18) . ?
C173 H173 0.9500 . ?
C174 C175 1.400(19) . ?
C174 H174 0.9500 . ?
C175 C176 1.376(16) . ?
C175 H175 0.9500 . ?
C176 H176 0.9500 . ?
C181 C182 1.376(14) . ?
C181 C186 1.396(12) . ?
C182 C183 1.409(15) . ?
C182 H182 0.9500 . ?
C183 C184 1.367(14) . ?
C183 H183 0.9500 . ?
C184 C185 1.363(14) . ?
C184 H184 0.9500 . ?
C185 C186 1.383(14) . ?
C185 H185 0.9500 . ?
C186 H186 0.9500 . ?
C201 N218 1.460(10) . ?
C201 C202 1.521(10) . ?
C201 C209 1.567(13) . ?
C201 H201 1.0000 . ?
C202 C203 1.514(9) . ?
C202 H20A 0.9900 . ?
C202 H20B 0.9900 . ?
C203 C204 1.402(11) . ?
C203 C208 1.407(13) . ?
C204 C205 1.384(15) . ?
C204 H204 0.9500 . ?
C205 C206 1.362(15) . ?
C205 H205 0.9500 . ?
C206 C207 1.373(13) . ?
C206 H206 0.9500 . ?
C207 C208 1.412(14) . ?
C207 H207 0.9500 . ?
C208 H208 0.9500 . ?
O209 C209 1.234(11) . ?
C209 N210 1.321(12) . ?
N210 C211 1.491(14) . ?
N210 H210 0.8800 . ?
C211 C212 1.507(12) . ?
C211 C214 1.521(15) . ?
C211 C216 1.540(13) . ?
C212 C213 1.300(15) . ?
C213 H213 0.9500 . ?
C214 C215 1.504(14) . ?
C214 H21A 0.9900 . ?
C214 H21B 0.9900 . ?
C215 H21C 0.9800 . ?
C215 H21D 0.9800 . ?
C215 H21E 0.9800 . ?
C216 C217 1.520(13) . ?
C216 H21F 0.9900 . ?
C216 H21G 0.9900 . ?
C217 H21H 0.9800 . ?
C217 H21I 0.9800 . ?
C217 H21J 0.9800 . ?
N218 C219 1.373(11) . ?
N218 H218 0.8800 . ?
O219 C219 1.225(12) . ?
C219 C220 1.477(14) . ?
C220 C224 1.425(14) . ?
C220 C221 1.436(13) . ?
C221 C222 1.421(16) . ?
C221 H221 0.9500 . ?
C222 C223 1.401(14) . ?
C222 H222 0.9500 . ?
C223 C224 1.419(13) . ?
C223 H223 0.9500 . ?
C224 H224 0.9500 . ?
C225 C226 1.400(18) . ?
C225 C229 1.410(15) . ?
C225 H225 0.9500 . ?
C226 C227 1.415(16) . ?
C226 H226 0.9500 . ?
C227 C228 1.403(17) . ?
C227 H227 0.9500 . ?
C228 C229 1.434(19) . ?
C228 H228 0.9500 . ?
C229 H229 0.9500 . ?
C231 C232 1.379(14) . ?
C231 C236 1.395(14) . ?
C232 C233 1.412(15) . ?
C232 H232 0.9500 . ?
C233 C234 1.374(16) . ?
C233 H233 0.9500 . ?
C234 C235 1.401(17) . ?
C234 H234 0.9500 . ?
C235 C236 1.381(15) . ?
C235 H235 0.9500 . ?
C236 H236 0.9500 . ?
C241 C242 1.394(16) . ?
C241 C246 1.397(13) . ?
C242 C243 1.379(16) . ?
C242 H242 0.9500 . ?
C243 C244 1.356(15) . ?
C243 H243 0.9500 . ?
C244 C245 1.388(17) . ?
C244 H244 0.9500 . ?
C245 C246 1.378(17) . ?
C245 H245 0.9500 . ?
C246 H246 0.9500 . ?
C251 C252 1.407(14) . ?
C251 C256 1.411(13) . ?
C252 C253 1.379(15) . ?
C252 H252 0.9500 . ?
C253 C254 1.402(14) . ?
C253 H253 0.9500 . ?
C254 C255 1.392(14) . ?
C254 H254 0.9500 . ?
C255 C256 1.388(14) . ?
C255 H255 0.9500 . ?
C256 H256 0.9500 . ?
C261 C266 1.376(13) . ?
C261 C262 1.405(15) . ?
C262 C263 1.376(16) . ?
C262 H262 0.9500 . ?
C263 C264 1.388(14) . ?
C263 H263 0.9500 . ?
C264 C265 1.386(15) . ?
C264 H264 0.9500 . ?
C265 C266 1.400(15) . ?
C265 H265 0.9500 . ?
C266 H266 0.9500 . ?
C271 C276 1.361(17) . ?
C271 C272 1.371(17) . ?
C272 C273 1.397(16) . ?
C272 H272 0.9500 . ?
C273 C274 1.36(2) . ?
C273 H273 0.9500 . ?
C274 C275 1.37(2) . ?
C274 H274 0.9500 . ?
C275 C276 1.371(17) . ?
C275 H275 0.9500 . ?
C276 H276 0.9500 . ?
C281 C282 1.397(13) . ?
C281 C286 1.399(13) . ?
C282 C283 1.376(12) . ?
C282 H282 0.9500 . ?
C283 C284 1.393(15) . ?
C283 H283 0.9500 . ?
C284 C285 1.380(15) . ?
C284 H284 0.9500 . ?
C285 C286 1.387(12) . ?
C285 H285 0.9500 . ?
C286 H286 0.9500 . ?
