#------------------------------------------------------------------------------
#$Date: 2016-05-31 10:37:07 +0300 (Tue, 31 May 2016) $
#$Revision: 183167 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/89/7118958.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_7118958
loop_
_publ_author_name
'Masaki Ito'
'Masato Iseki'
'Masumi Itazaki'
'Hiroshi Nakazawa'
_publ_section_title
;
 Tetrahedral cage complex with planar vertices: selective synthesis of
 Pt4L6 cage complexes involving hydrogen bonds driven by halide binding
;
_journal_name_full               Chem.Commun.
_journal_page_first              7205
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety
'C216 H180 Cl4 Fe6 N12 O12 P12 Pt4, Cl4, C H Cl3, 7(C H Cl3)'
_chemical_formula_sum            'C224 H188 Cl32 Fe6 N12 O12 P12 Pt4'
_chemical_formula_weight         5861.35
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_update_record
;
2016-03-29 deposited with the CCDC.
2016-04-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.2849(10)
_cell_angle_beta                 90.4102(6)
_cell_angle_gamma                117.1817(13)
_cell_formula_units_Z            2
_cell_length_a                   21.3085(7)
_cell_length_b                   22.6838(7)
_cell_length_c                   31.6313(6)
_cell_measurement_reflns_used    25335
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.4816
_cell_measurement_theta_min      2.0130
_cell_measurement_wavelength     0.71075
_cell_volume                     13599.8(7)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 7.32
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details
;
scan:
    Number of images: 900
               Slice: -80.0000 - 100.0000
         Image width: 0.2000
            Exp time: 16.0000
       Rotation axis: Phi
               Omega: 0.0000
                 Chi: 0.0000
                 Phi: 0.0000
                 XTD: 55.0391
              2theta: 25.0886
scan:
    Number of images: 300
               Slice: -15.0000 - 45.0000
         Image width: 0.2000
            Exp time: 16.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 90.0000
                 Phi: 0.0000
                 XTD: 55.0391
              2theta: 25.0886
scan:
    Number of images: 300
               Slice: -15.0000 - 45.0000
         Image width: 0.2000
            Exp time: 16.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 90.0000
                 Phi: 90.0000
                 XTD: 55.0391
              2theta: 25.0886
scan:
    Number of images: 300
               Slice: -15.0000 - 45.0000
         Image width: 0.2000
            Exp time: 16.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 90.0000
                 Phi: 180.0000
                 XTD: 55.0391
              2theta: 25.0886
scan:
    Number of images: 300
               Slice: -15.0000 - 45.0000
         Image width: 0.2000
            Exp time: 16.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 90.0000
                 Phi: 270.0000
                 XTD: 55.0391
              2theta: 25.0886
scan:
    Number of images: 270
               Slice: -15.0000 - 39.0000
         Image width: 0.2000
            Exp time: 16.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 45.0000
                 Phi: 0.0000
                 XTD: 55.0391
              2theta: 25.0886
scan:
    Number of images: 270
               Slice: -15.0000 - 39.0000
         Image width: 0.2000
            Exp time: 16.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 45.0000
                 Phi: 90.0000
                 XTD: 55.0391
              2theta: 25.0886
scan:
    Number of images: 270
               Slice: -15.0000 - 39.0000
         Image width: 0.2000
            Exp time: 16.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 45.0000
                 Phi: 180.0000
                 XTD: 55.0391
              2theta: 25.0886
scan:
    Number of images: 270
               Slice: -15.0000 - 39.0000
         Image width: 0.2000
            Exp time: 16.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 45.0000
                 Phi: 270.0000
                 XTD: 55.0391
              2theta: 25.0886

;
_diffrn_measurement_device       'Mercury CCD (2x2 bin mode)'
_diffrn_measurement_device_details 'AFC7: Eulerian 3-circle'
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       'ω and φ'
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0459
_diffrn_reflns_av_unetI/netI     0.0616
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            133682
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         2.013
_diffrn_source_current           250.0000
_diffrn_source_power             13.7500
_diffrn_source_voltage           55.0000
_exptl_absorpt_coefficient_mu    2.795
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8268
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             5808
_exptl_crystal_preparation
'mounted on the CryoLoop with Palaton oil and placed in N2 stream at 200(2) K'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         4.589
_refine_diff_density_min         -2.315
_refine_diff_density_rms         0.224
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     2441
_refine_ls_number_reflns         47664
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.1003
_refine_ls_R_factor_gt           0.0801
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1598P)²+64.1072P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2359
_refine_ls_wR_factor_ref         0.2603
_reflns_number_gt                36306
_reflns_number_total             47664
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6cc01448h2.cif
_cod_data_source_block           ISK-465-New
_cod_database_code               7118958
_shelx_estimated_absorpt_t_min   0.605
_shelx_estimated_absorpt_t_max   0.828
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt -0.36632(2) 0.10150(2) 0.22190(2) 0.03563(11) Uani 1 d . .
Cl1 Cl -0.32447(16) 0.03829(14) 0.18310(9) 0.0521(7) Uani 1 d . .
Pt2 Pt 0.24057(2) 0.24032(2) 0.10051(2) 0.03273(11) Uani 1 d . .
Cl2 Cl 0.33229(14) 0.26552(13) 0.15065(9) 0.0467(6) Uani 1 d . .
Pt3 Pt 0.20363(2) 0.42476(2) 0.46017(2) 0.03360(11) Uani 1 d . .
Cl3 Cl 0.18456(14) 0.51903(12) 0.46591(9) 0.0443(6) Uani 1 d . .
Pt4 Pt 0.02112(2) 0.68754(2) 0.19179(2) 0.03662(11) Uani 1 d . .
Cl4 Cl -0.09362(15) 0.62169(13) 0.16427(8) 0.0458(6) Uani 1 d . .
Fe1 Fe -0.09064(10) 0.19923(11) 0.12451(8) 0.0772(7) Uani 1 d . .
Fe2 Fe 0.22314(8) 0.27341(8) 0.29170(5) 0.0421(3) Uani 1 d . .
Fe3 Fe 0.19070(11) 0.51140(9) 0.11679(6) 0.0592(5) Uani 1 d . .
Fe4 Fe 0.20622(9) 0.62277(7) 0.33134(5) 0.0448(4) Uani 1 d . .
Fe5 Fe -0.12844(15) 0.20635(15) 0.38099(10) 0.1150(12) Uani 1 d . .
Fe6 Fe -0.20976(11) 0.42560(7) 0.25386(6) 0.0572(5) Uani 1 d . .
P1 P -0.38196(14) 0.13238(13) 0.15366(9) 0.0380(6) Uani 1 d . .
P2 P -0.36126(18) 0.04527(15) 0.28276(10) 0.0501(7) Uani 1 d . .
P3 P -0.41472(13) 0.16016(13) 0.25399(9) 0.0374(6) Uani 1 d . .
P4 P 0.15470(13) 0.20274(12) 0.04995(8) 0.0341(5) Uani 1 d . .
P5 P 0.20084(13) 0.13795(11) 0.13283(8) 0.0326(5) Uani 1 d . .
P6 P 0.31034(15) 0.34523(13) 0.07245(10) 0.0442(6) Uani 1 d . .
P7 P 0.23579(14) 0.34282(13) 0.45900(8) 0.0364(6) Uani 1 d . .
P8 P 0.31705(14) 0.50722(12) 0.44860(8) 0.0362(5) Uani 1 d . .
P9 P 0.09028(15) 0.36161(13) 0.48657(8) 0.0388(6) Uani 1 d . .
P10 P 0.06665(17) 0.67141(14) 0.12823(9) 0.0451(6) Uani 1 d . .
P11 P 0.12600(15) 0.76263(12) 0.21847(9) 0.0411(6) Uani 1 d . .
P12 P -0.04330(15) 0.70385(12) 0.24570(8) 0.0382(6) Uani 1 d . .
C1 C -0.3009(7) 0.1577(7) 0.1188(4) 0.057(3) Uani 1 d . .
O1 O -0.3108(5) 0.1458(6) 0.0813(3) 0.084(3) Uani 1 d . .
N1 N -0.2397(5) 0.1899(5) 0.1385(4) 0.061(3) Uani 1 d . .
H1 H -0.239 0.1944 0.1661 0.073 Uiso 1 calc . .
C2 C -0.3235(9) 0.0921(8) 0.3335(5) 0.070(4) Uani 1 d . .
O2 O -0.3473(8) 0.0670(6) 0.3678(3) 0.100(4) Uani 1 d . .
N2 N -0.2666(6) 0.1496(6) 0.3280(4) 0.065(3) Uani 1 d . .
H2 H -0.2546 0.1608 0.3016 0.078 Uiso 1 calc . .
C3 C -0.3738(6) 0.2498(5) 0.2376(4) 0.046(3) Uani 1 d . .
O3 O -0.4083(5) 0.2805(4) 0.2379(3) 0.059(2) Uani 1 d . .
N3 N -0.3043(5) 0.2750(4) 0.2291(3) 0.046(2) Uani 1 d . .
H3 H -0.2839 0.249 0.2315 0.055 Uiso 1 calc . .
C4 C 0.0605(5) 0.1674(5) 0.0687(4) 0.046(3) Uani 1 d . .
O4 O 0.0131(4) 0.1285(4) 0.0447(3) 0.062(2) Uani 1 d . .
N4 N 0.0507(5) 0.1891(5) 0.1057(3) 0.050(2) Uani 1 d . .
H4 H 0.0885 0.2201 0.1183 0.06 Uiso 1 calc . .
C5 C 0.2057(6) 0.1461(5) 0.1924(3) 0.041(2) Uani 1 d . .
O5 O 0.2202(4) 0.1084(3) 0.2123(2) 0.0453(17) Uani 1 d . .
N5 N 0.1863(5) 0.1893(4) 0.2089(3) 0.043(2) Uani 1 d . .
H5 H 0.1818 0.2174 0.1915 0.051 Uiso 1 calc . .
C6 C 0.2692(8) 0.3990(5) 0.0539(4) 0.058(3) Uani 1 d . .
O6 O 0.2899(6) 0.4314(5) 0.0210(3) 0.079(3) Uani 1 d . .
N6 N 0.2224(5) 0.3989(4) 0.0814(3) 0.050(2) Uani 1 d . .
H6 H 0.2125 0.3729 0.1035 0.06 Uiso 1 calc . .
C7 C 0.2791(5) 0.3387(5) 0.4085(3) 0.036(2) Uani 1 d . .
O7 O 0.3210(5) 0.3156(4) 0.4080(3) 0.055(2) Uani 1 d . .
N7 N 0.2565(5) 0.3579(4) 0.3742(3) 0.0407(19) Uani 1 d . .
H7 H 0.2283 0.3759 0.3784 0.049 Uiso 1 calc . .
C8 C 0.3205(6) 0.5690(6) 0.4079(3) 0.044(2) Uani 1 d . .
O8 O 0.3666(5) 0.6253(4) 0.4105(3) 0.061(2) Uani 1 d . .
N8 N 0.2735(5) 0.5436(4) 0.3755(3) 0.041(2) Uani 1 d . .
H8 H 0.242 0.5017 0.3763 0.049 Uiso 1 calc . .
C9 C 0.0289(6) 0.2767(6) 0.4669(4) 0.049(3) Uani 1 d . .
O9 O -0.0036(5) 0.2305(4) 0.4907(3) 0.072(3) Uani 1 d . .
N9 N 0.0201(6) 0.2742(5) 0.4247(4) 0.062(3) Uani 1 d . .
H9 H 0.0487 0.3096 0.4106 0.074 Uiso 1 calc . .
C10 C 0.1473(7) 0.6555(6) 0.1265(4) 0.051(3) Uani 1 d . .
O10 O 0.1911(5) 0.6790(5) 0.0996(3) 0.065(2) Uani 1 d . .
N10 N 0.1427(5) 0.6110(4) 0.1556(3) 0.045(2) Uani 1 d . .
H10 H 0.1095 0.5992 0.1748 0.054 Uiso 1 calc . .
C11 C 0.1508(6) 0.7471(5) 0.2748(4) 0.048(3) Uani 1 d . .
O11 O 0.1925(6) 0.7926(4) 0.2952(3) 0.081(3) Uani 1 d . .
N11 N 0.1219(5) 0.6835(4) 0.2839(3) 0.044(2) Uani 1 d . .
H11 H 0.0924 0.6553 0.2654 0.053 Uiso 1 calc . .
C12 C -0.1211(6) 0.6257(5) 0.2625(3) 0.039(2) Uani 1 d . .
O12 O -0.1749(4) 0.6269(3) 0.2723(2) 0.0462(17) Uani 1 d . .
N12 N -0.1074(5) 0.5732(4) 0.2675(3) 0.0389(19) Uani 1 d . .
H12 H -0.0664 0.5772 0.259 0.047 Uiso 1 calc . .
C13 C -0.4467(6) 0.0652(5) 0.1227(3) 0.044(2) Uani 1 d . .
C14 C -0.4637(6) 0.0791(7) 0.0824(4) 0.059(3) Uani 1 d . .
H13 H -0.4436 0.1238 0.0733 0.071 Uiso 1 calc . .
C15 C -0.5096(8) 0.0290(8) 0.0551(4) 0.069(4) Uani 1 d . .
H14 H -0.521 0.0393 0.028 0.083 Uiso 1 calc . .
C16 C -0.5389(7) -0.0377(9) 0.0689(5) 0.073(4) Uani 1 d . .
H15 H -0.5699 -0.0727 0.0509 0.088 Uiso 1 calc . .
C17 C -0.5228(7) -0.0505(7) 0.1067(6) 0.077(4) Uani 1 d . .
H16 H -0.5424 -0.0953 0.1155 0.092 Uiso 1 calc . .
C18 C -0.4765(6) 0.0009(6) 0.1352(4) 0.056(3) Uani 1 d . .
H17 H -0.4668 -0.0101 0.1627 0.068 Uiso 1 calc . .
C19 C -0.4050(6) 0.1995(5) 0.1433(4) 0.045(2) Uani 1 d . .
C20 C -0.3552(6) 0.2614(5) 0.1308(4) 0.052(3) Uani 1 d . .
H18 H -0.3073 0.2704 0.1279 0.063 Uiso 1 calc . .
C21 C -0.3753(8) 0.3104(6) 0.1226(5) 0.074(4) Uani 1 d . .
H19 H -0.3409 0.3529 0.1139 0.089 Uiso 1 calc . .
C22 C -0.4434(8) 0.2988(6) 0.1269(5) 0.064(4) Uani 1 d . .
H20 H -0.4562 0.3332 0.122 0.077 Uiso 1 calc . .
C23 C -0.4941(7) 0.2360(6) 0.1384(4) 0.056(3) Uani 1 d . .
H21 H -0.5421 0.227 0.1406 0.067 Uiso 1 calc . .
C24 C -0.4748(6) 0.1873(6) 0.1467(3) 0.046(3) Uani 1 d . .
H22 H -0.5095 0.1447 0.155 0.055 Uiso 1 calc . .
C25 C -0.4495(9) -0.0190(6) 0.2931(5) 0.073(4) Uani 1 d . .
C26 C -0.4841(9) -0.0612(7) 0.2598(5) 0.083(5) Uani 1 d . .
H23 H -0.4614 -0.0561 0.2334 0.1 Uiso 1 calc . .
C27 C -0.5524(12) -0.1110(8) 0.2652(8) 0.120(8) Uani 1 d . .
H24 H -0.5752 -0.1406 0.2423 0.144 Uiso 1 calc . .
C28 C -0.5878(16) -0.1189(12) 0.3018(12) 0.169(13) Uani 1 d . .
H25 H -0.6327 -0.1559 0.3057 0.202 Uiso 1 calc . .
C29 C -0.5591(15) -0.0751(12) 0.3312(11) 0.169(13) Uani 1 d . .
H26 H -0.5864 -0.0763 0.3551 0.203 Uiso 1 calc . .
C30 C -0.4886(12) -0.0254(10) 0.3291(7) 0.118(7) Uani 1 d . .
H27 H -0.4678 0.0038 0.3525 0.142 Uiso 1 calc . .
C31 C -0.3065(6) 0.0034(5) 0.2790(4) 0.106(3) Uani 1 d . .
C32 C -0.3308(6) -0.0619(5) 0.2917(4) 0.106(3) Uani 1 d . .
H28 H -0.3782 -0.0867 0.3006 0.127 Uiso 1 calc . .
C33 C -0.2858(7) -0.0909(4) 0.2912(4) 0.106(3) Uani 1 d . .
H29 H -0.3024 -0.1356 0.2998 0.127 Uiso 1 calc . .
C34 C -0.2164(6) -0.0546(5) 0.2781(4) 0.106(3) Uani 1 d . .
H30 H -0.1857 -0.0744 0.2778 0.127 Uiso 1 calc . .
C35 C -0.1922(6) 0.0107(5) 0.2655(4) 0.106(3) Uani 1 d . .
H31 H -0.1448 0.0355 0.2566 0.127 Uiso 1 calc . .
C36 C -0.2372(7) 0.0397(4) 0.2660(4) 0.106(3) Uani 1 d . .
H32 H -0.2206 0.0844 0.2573 0.127 Uiso 1 calc . .
C37 C -0.5082(5) 0.1259(6) 0.2412(4) 0.047(3) Uani 1 d . .
C38 C -0.5448(6) 0.1628(7) 0.2479(4) 0.057(3) Uani 1 d . .
H33 H -0.5214 0.2062 0.2597 0.069 Uiso 1 calc . .
C39 C -0.6153(7) 0.1351(8) 0.2372(5) 0.069(4) Uani 1 d . .
H34 H -0.6402 0.1605 0.2401 0.083 Uiso 1 calc . .
C40 C -0.6494(6) 0.0724(9) 0.2226(5) 0.075(4) Uani 1 d . .
H35 H -0.698 0.0542 0.2153 0.09 Uiso 1 calc . .
C41 C -0.6154(8) 0.0342(8) 0.2180(5) 0.079(4) Uani 1 d . .
H36 H -0.6413 -0.0107 0.2091 0.094 Uiso 1 calc . .
C42 C -0.5417(6) 0.0608(6) 0.2263(4) 0.050(3) Uani 1 d . .
H37 H -0.5168 0.0356 0.2221 0.06 Uiso 1 calc . .
C43 C -0.4109(6) 0.1739(7) 0.3104(3) 0.051(3) Uani 1 d . .
C44 C -0.4673(8) 0.1302(8) 0.3358(4) 0.074(4) Uani 1 d . .
H38 H -0.5054 0.0922 0.3237 0.089 Uiso 1 calc . .
C45 C -0.4661(10) 0.1441(10) 0.3789(5) 0.092(5) Uani 1 d . .
H39 H -0.5058 0.1168 0.3954 0.111 Uiso 1 calc . .
C46 C -0.4115(12) 0.1942(11) 0.3978(5) 0.096(6) Uani 1 d . .
H40 H -0.4103 0.2008 0.4276 0.115 Uiso 1 calc . .
C47 C -0.3573(10) 0.2356(9) 0.3728(5) 0.081(5) Uani 1 d . .
H41 H -0.3187 0.2725 0.3855 0.098 Uiso 1 calc . .
C48 C -0.3565(7) 0.2258(7) 0.3290(4) 0.057(3) Uani 1 d . .
H42 H -0.3179 0.2556 0.3127 0.068 Uiso 1 calc . .
C49 C 0.1587(6) 0.1358(5) 0.0194(3) 0.041(2) Uani 1 d . .
C50 C 0.2235(7) 0.1357(8) 0.0181(5) 0.076(4) Uani 1 d . .
H43 H 0.2638 0.1707 0.0309 0.091 Uiso 1 calc . .
C51 C 0.2291(8) 0.0838(10) -0.0023(5) 0.095(6) Uani 1 d . .
H44 H 0.2736 0.0841 -0.0045 0.114 Uiso 1 calc . .
C52 C 0.1701(10) 0.0325(9) -0.0192(5) 0.088(5) Uani 1 d . .
H45 H 0.1731 -0.005 -0.0304 0.106 Uiso 1 calc . .
C53 C 0.1077(8) 0.0342(7) -0.0201(4) 0.062(3) Uani 1 d . .
H46 H 0.0681 0.0003 -0.0342 0.075 Uiso 1 calc . .
C54 C 0.1021(6) 0.0854(6) -0.0004(4) 0.049(3) Uani 1 d . .
H47 H 0.0578 0.0861 -0.0005 0.059 Uiso 1 calc . .
C55 C 0.1514(6) 0.2584(5) 0.0093(4) 0.046(3) Uani 1 d . .
C56 C 0.1797(8) 0.2615(6) -0.0294(4) 0.069(4) Uani 1 d . .
H48 H 0.2034 0.2358 -0.0355 0.082 Uiso 1 calc . .
C57 C 0.1738(11) 0.3021(9) -0.0597(5) 0.097(6) Uani 1 d . .
H49 H 0.1907 0.3014 -0.0873 0.117 Uiso 1 calc . .
C58 C 0.1447(11) 0.3433(8) -0.0515(6) 0.097(6) Uani 1 d . .
H50 H 0.1434 0.3724 -0.0727 0.116 Uiso 1 calc . .
C59 C 0.1166(9) 0.3422(8) -0.0114(6) 0.085(5) Uani 1 d . .
H51 H 0.0975 0.3716 -0.0044 0.102 Uiso 1 calc . .
C60 C 0.1174(7) 0.2963(6) 0.0183(4) 0.058(3) Uani 1 d . .
H52 H 0.0944 0.2914 0.0446 0.069 Uiso 1 calc . .
C61 C 0.1111(5) 0.0728(5) 0.1274(3) 0.039(2) Uani 1 d . .
C62 C 0.0926(7) 0.0236(5) 0.0951(4) 0.051(3) Uani 1 d . .
H53 H 0.1267 0.0241 0.0757 0.062 Uiso 1 calc . .
C63 C 0.0238(8) -0.0245(6) 0.0929(5) 0.066(4) Uani 1 d . .
H54 H 0.0114 -0.0577 0.0715 0.08 Uiso 1 calc . .
C64 C -0.0273(7) -0.0276(6) 0.1190(5) 0.070(4) Uani 1 d . .
H55 H -0.0743 -0.0618 0.1159 0.083 Uiso 1 calc . .
C65 C -0.0108(7) 0.0176(7) 0.1488(5) 0.064(3) Uani 1 d . .
H56 H -0.0465 0.0154 0.1675 0.077 Uiso 1 calc . .
C66 C 0.0584(6) 0.0693(6) 0.1541(4) 0.050(3) Uani 1 d . .
H57 H 0.0687 0.1014 0.1759 0.06 Uiso 1 calc . .
C67 C 0.2539(5) 0.0966(5) 0.1210(3) 0.036(2) Uani 1 d . .
C68 C 0.2313(7) 0.0309(5) 0.1337(4) 0.052(3) Uani 1 d . .
H58 H 0.1885 0.0084 0.1487 0.062 Uiso 1 calc . .
C69 C 0.2714(7) -0.0010(6) 0.1242(5) 0.062(3) Uani 1 d . .
H59 H 0.2556 -0.0457 0.1324 0.074 Uiso 1 calc . .
C70 C 0.3337(8) 0.0315(7) 0.1031(5) 0.066(4) Uani 1 d . .
H60 H 0.3606 0.0088 0.0967 0.079 Uiso 1 calc . .
C71 C 0.3577(6) 0.0956(6) 0.0911(4) 0.052(3) Uani 1 d . .
H61 H 0.4009 0.1173 0.0762 0.062 Uiso 1 calc . .
C72 C 0.3189(6) 0.1295(6) 0.1006(3) 0.046(3) Uani 1 d . .
H62 H 0.3366 0.1748 0.0933 0.056 Uiso 1 calc . .
C73 C 0.3609(6) 0.3342(6) 0.0292(4) 0.073(4) Uani 1 d . .
C74 C 0.4031(7) 0.3051(7) 0.0413(3) 0.097(5) Uani 1 d . .
H63 H 0.4076 0.297 0.0703 0.117 Uiso 1 calc . .
C75 C 0.4388(8) 0.2878(8) 0.0110(5) 0.143(6) Uani 1 d . .
H64 H 0.4676 0.2679 0.0192 0.172 Uiso 1 calc . .
C76 C 0.4322(9) 0.2996(9) -0.0315(4) 0.143(6) Uani 1 d . .
H65 H 0.4566 0.2878 -0.0523 0.172 Uiso 1 calc . .
C77 C 0.3900(9) 0.3287(9) -0.0436(3) 0.143(6) Uani 1 d . .
H66 H 0.3856 0.3368 -0.0727 0.172 Uiso 1 calc . .
C78 C 0.3544(7) 0.3460(7) -0.0133(4) 0.115(7) Uani 1 d . .
H67 H 0.3255 0.3659 -0.0216 0.138 Uiso 1 calc . .
C79 C 0.3764(8) 0.4062(8) 0.1067(6) 0.089(2) Uani 1 d . .
C80 C 0.4435(8) 0.4409(8) 0.0943(6) 0.089(2) Uani 1 d . .
H68 H 0.4585 0.4346 0.0672 0.107 Uiso 1 calc . .
C81 C 0.4939(9) 0.4907(8) 0.1258(6) 0.089(2) Uani 1 d . .
H69 H 0.5422 0.5157 0.1186 0.107 Uiso 1 calc . .
C82 C 0.4733(8) 0.4999(8) 0.1616(6) 0.089(2) Uani 1 d . .
H70 H 0.5066 0.5311 0.1807 0.107 Uiso 1 calc . .
C83 C 0.4029(8) 0.4654(8) 0.1737(6) 0.089(2) Uani 1 d . .
H71 H 0.3877 0.4746 0.2 0.107 Uiso 1 calc . .
C84 C 0.3573(9) 0.4188(8) 0.1472(6) 0.089(2) Uani 1 d . .
H72 H 0.31 0.3932 0.1561 0.107 Uiso 1 calc . .
C85 C 0.2955(6) 0.3503(5) 0.5025(3) 0.044(2) Uani 1 d . .
C86 C 0.3387(7) 0.3200(7) 0.5024(4) 0.060(3) Uani 1 d . .
H73 H 0.3373 0.2935 0.4787 0.072 Uiso 1 calc . .
C87 C 0.3835(8) 0.3269(8) 0.5354(5) 0.071(4) Uani 1 d . .
H74 H 0.4136 0.3064 0.5344 0.085 Uiso 1 calc . .
C88 C 0.3842(8) 0.3649(8) 0.5708(5) 0.075(4) Uani 1 d . .
H75 H 0.4149 0.3701 0.594 0.09 Uiso 1 calc . .
C89 C 0.3396(8) 0.3954(7) 0.5720(4) 0.066(4) Uani 1 d . .
H76 H 0.3395 0.4211 0.5958 0.079 Uiso 1 calc . .
C90 C 0.2955(7) 0.3866(6) 0.5373(4) 0.053(3) Uani 1 d . .
H77 H 0.2646 0.4062 0.5377 0.064 Uiso 1 calc . .
C91 C 0.1715(6) 0.2556(5) 0.4597(4) 0.043(2) Uani 1 d . .
C92 C 0.1638(8) 0.2166(6) 0.4965(4) 0.061(3) Uani 1 d . .
H78 H 0.1911 0.2354 0.5213 0.073 Uiso 1 calc . .
C93 C 0.1151(8) 0.1504(6) 0.4944(5) 0.071(4) Uani 1 d . .
H79 H 0.1083 0.124 0.5188 0.086 Uiso 1 calc . .
C94 C 0.0784(8) 0.1228(6) 0.4607(5) 0.069(4) Uani 1 d . .
H80 H 0.0472 0.0766 0.4609 0.083 Uiso 1 calc . .
C95 C 0.0835(7) 0.1590(6) 0.4241(5) 0.064(4) Uani 1 d . .
H81 H 0.0554 0.1381 0.3999 0.077 Uiso 1 calc . .
C96 C 0.1312(6) 0.2270(5) 0.4240(4) 0.048(3) Uani 1 d . .
H82 H 0.1356 0.2529 0.3996 0.058 Uiso 1 calc . .
C97 C 0.3868(5) 0.4900(5) 0.4289(3) 0.038(2) Uani 1 d . .
C98 C 0.3986(6) 0.4895(6) 0.3857(4) 0.047(3) Uani 1 d . .
H83 H 0.3715 0.5006 0.3662 0.056 Uiso 1 calc . .
C99 C 0.4490(7) 0.4731(7) 0.3711(4) 0.063(3) Uani 1 d . .
H84 H 0.4558 0.4721 0.3415 0.076 Uiso 1 calc . .
C100 C 0.4906(6) 0.4578(7) 0.3987(5) 0.063(4) Uani 1 d . .
H85 H 0.5263 0.4477 0.3883 0.076 Uiso 1 calc . .
C101 C 0.4786(7) 0.4579(7) 0.4409(4) 0.059(3) Uani 1 d . .
H86 H 0.5059 0.4466 0.4601 0.071 Uiso 1 calc . .
C102 C 0.4278(6) 0.4739(5) 0.4569(4) 0.047(3) Uani 1 d . .
H87 H 0.4209 0.4739 0.4865 0.057 Uiso 1 calc . .
C103 C 0.3555(6) 0.5593(5) 0.4951(3) 0.043(2) Uani 1 d . .
C104 C 0.4230(7) 0.6113(6) 0.4931(4) 0.057(3) Uani 1 d . .
H88 H 0.4493 0.6186 0.4678 0.069 Uiso 1 calc . .
C105 C 0.4530(9) 0.6534(6) 0.5284(5) 0.072(4) Uani 1 d . .
H89 H 0.4994 0.689 0.5275 0.086 Uiso 1 calc . .
C106 C 0.4110(10) 0.6405(8) 0.5657(5) 0.078(5) Uani 1 d . .
H90 H 0.4292 0.6689 0.5897 0.093 Uiso 1 calc . .
C107 C 0.3490(8) 0.5911(7) 0.5670(4) 0.064(3) Uani 1 d . .
H91 H 0.3229 0.5827 0.5925 0.077 Uiso 1 calc . .
C108 C 0.3189(7) 0.5494(6) 0.5321(4) 0.053(3) Uani 1 d . .
H92 H 0.2725 0.5138 0.5339 0.064 Uiso 1 calc . .
C109 C 0.1035(8) 0.3543(9) 0.5419(4) 0.0773(18) Uani 1 d . .
C110 C 0.1306(8) 0.4144(9) 0.5646(4) 0.0773(18) Uani 1 d . .
H93 H 0.1308 0.4524 0.5519 0.093 Uiso 1 calc . .
C111 C 0.1573(8) 0.4190(9) 0.6056(4) 0.0773(18) Uani 1 d . .
H94 H 0.1757 0.4596 0.621 0.093 Uiso 1 calc . .
C112 C 0.1561(8) 0.3619(9) 0.6236(4) 0.0773(18) Uani 1 d . .
H95 H 0.1748 0.3643 0.6513 0.093 Uiso 1 calc . .
C113 C 0.1292(8) 0.3043(9) 0.6025(4) 0.0773(18) Uani 1 d . .
H96 H 0.1277 0.2664 0.6161 0.093 Uiso 1 calc . .
C114 C 0.1025(8) 0.2974(9) 0.5602(4) 0.0773(18) Uani 1 d . .
H97 H 0.0849 0.2565 0.5452 0.093 Uiso 1 calc . .
C115 C 0.0266(6) 0.3948(6) 0.4824(4) 0.047(3) Uani 1 d . .
C116 C 0.0215(6) 0.4248(6) 0.4448(4) 0.047(3) Uani 1 d . .
H98 H 0.0537 0.4312 0.4226 0.056 Uiso 1 calc . .
C117 C -0.0292(7) 0.4447(6) 0.4401(4) 0.055(3) Uani 1 d . .
H99 H -0.0303 0.4681 0.4155 0.066 Uiso 1 calc . .
C118 C -0.0796(8) 0.4308(7) 0.4714(5) 0.072(4) Uani 1 d . .
H100 H -0.1168 0.4424 0.4673 0.086 Uiso 1 calc . .
C119 C -0.0759(7) 0.4017(7) 0.5066(5) 0.069(4) Uani 1 d . .
H101 H -0.1095 0.394 0.5281 0.083 Uiso 1 calc . .
C120 C -0.0226(7) 0.3815(7) 0.5130(4) 0.061(3) Uani 1 d . .
H102 H -0.0211 0.3593 0.5381 0.073 Uiso 1 calc . .
C121 C 0.0095(7) 0.5987(6) 0.0979(4) 0.053(3) Uani 1 d . .
C122 C -0.0283(7) 0.5380(7) 0.1166(4) 0.062(3) Uani 1 d . .
H103 H -0.0265 0.5347 0.1465 0.074 Uiso 1 calc . .
C123 C -0.0686(8) 0.4819(8) 0.0930(5) 0.077(4) Uani 1 d . .
H104 H -0.0949 0.4402 0.1061 0.093 Uiso 1 calc . .
C124 C -0.0696(10) 0.4884(11) 0.0490(6) 0.092(6) Uani 1 d . .
H105 H -0.0969 0.4499 0.0324 0.11 Uiso 1 calc . .
C125 C -0.0344(10) 0.5450(10) 0.0295(5) 0.082(5) Uani 1 d . .
H106 H -0.0373 0.5472 -0.0004 0.099 Uiso 1 calc . .
C126 C 0.0072(9) 0.6021(8) 0.0531(4) 0.073(4) Uani 1 d . .
H107 H 0.0338 0.643 0.0392 0.088 Uiso 1 calc . .
C127 C 0.0829(7) 0.7410(6) 0.0939(4) 0.054(3) Uani 1 d . .
C128 C 0.0264(8) 0.7557(6) 0.0893(4) 0.062(3) Uani 1 d . .
H108 H -0.0159 0.7314 0.1045 0.074 Uiso 1 calc . .
C129 C 0.0320(9) 0.8061(7) 0.0623(5) 0.071(4) Uani 1 d . .
H109 H -0.0072 0.8148 0.0583 0.085 Uiso 1 calc . .
C130 C 0.0936(12) 0.8433(11) 0.0414(6) 0.114(7) Uani 1 d . .
H110 H 0.0998 0.8815 0.0261 0.137 Uiso 1 calc . .
C131 C 0.1437(13) 0.8250(13) 0.0430(9) 0.165(13) Uani 1 d . .
H111 H 0.1799 0.8427 0.0226 0.198 Uiso 1 calc . .
C132 C 0.1476(11) 0.7805(11) 0.0734(7) 0.122(8) Uani 1 d . .
H112 H 0.1898 0.7775 0.0793 0.146 Uiso 1 calc . .
C133 C 0.2088(6) 0.7773(5) 0.1928(4) 0.053(3) Uani 1 d . .
C134 C 0.2437(7) 0.7415(6) 0.2039(5) 0.059(3) Uani 1 d . .
H113 H 0.2235 0.708 0.2247 0.071 Uiso 1 calc . .
C135 C 0.3059(6) 0.7520(6) 0.1864(5) 0.064(4) Uani 1 d . .
H114 H 0.3304 0.7282 0.1954 0.077 Uiso 1 calc . .
C136 C 0.3323(8) 0.7993(7) 0.1545(7) 0.101(7) Uani 1 d . .
H115 H 0.3743 0.8061 0.1405 0.122 Uiso 1 calc . .
C137 C 0.2983(10) 0.8367(8) 0.1430(7) 0.107(7) Uani 1 d . .
H116 H 0.3178 0.87 0.1221 0.129 Uiso 1 calc . .
C138 C 0.2373(9) 0.8249(7) 0.1619(6) 0.095(6) Uani 1 d . .
H117 H 0.2135 0.8498 0.1539 0.114 Uiso 1 calc . .
C139 C 0.1295(6) 0.8444(5) 0.2206(4) 0.043(2) Uani 1 d . .
C140 C 0.0806(7) 0.8549(6) 0.1957(4) 0.054(3) Uani 1 d . .
H118 H 0.051 0.8219 0.176 0.065 Uiso 1 calc . .
C141 C 0.0760(8) 0.9135(6) 0.2000(4) 0.061(3) Uani 1 d . .
H119 H 0.0418 0.92 0.184 0.073 Uiso 1 calc . .
C142 C 0.1192(8) 0.9609(6) 0.2265(5) 0.073(4) Uani 1 d . .
H120 H 0.1148 1.0005 0.2296 0.088 Uiso 1 calc . .
C143 C 0.1690(8) 0.9534(6) 0.2489(5) 0.068(4) Uani 1 d . .
H121 H 0.2009 0.9891 0.2662 0.082 Uiso 1 calc . .
C144 C 0.1749(7) 0.8948(6) 0.2475(5) 0.066(4) Uani 1 d . .
H122 H 0.2089 0.8894 0.2643 0.08 Uiso 1 calc . .
C145 C -0.0870(7) 0.7533(5) 0.2308(4) 0.053(3) Uani 1 d . .
C146 C -0.0932(8) 0.7672(6) 0.1884(4) 0.063(3) Uani 1 d . .
H123 H -0.0754 0.7501 0.1667 0.076 Uiso 1 calc . .
C147 C -0.1248(11) 0.8053(8) 0.1785(6) 0.097(3) Uani 1 d . .
H124 H -0.1282 0.8153 0.1497 0.117 Uiso 1 calc . .
C148 C -0.1521(11) 0.8297(8) 0.2090(6) 0.097(3) Uani 1 d . .
H125 H -0.1738 0.8567 0.2015 0.117 Uiso 1 calc . .
C149 C -0.1477(11) 0.8150(8) 0.2500(6) 0.097(3) Uani 1 d . .
H126 H -0.1665 0.832 0.2713 0.117 Uiso 1 calc . .
C150 C -0.1163(8) 0.7753(7) 0.2617(5) 0.071(4) Uani 1 d . .
H127 H -0.1151 0.7638 0.2905 0.085 Uiso 1 calc . .
C151 C -0.0015(6) 0.7388(5) 0.2968(3) 0.046(3) Uani 1 d . .
C152 C 0.0264(7) 0.8058(6) 0.3049(4) 0.063(3) Uani 1 d . .
H128 H 0.0246 0.8349 0.284 0.076 Uiso 1 calc . .
C153 C 0.0578(9) 0.8304(8) 0.3446(6) 0.092(6) Uani 1 d . .
H129 H 0.0758 0.8763 0.3507 0.11 Uiso 1 calc . .
C154 C 0.0630(8) 0.7878(9) 0.3759(5) 0.083(5) Uani 1 d . .
H130 H 0.0844 0.8049 0.4026 0.1 Uiso 1 calc . .
C155 C 0.0360(7) 0.7208(8) 0.3663(4) 0.066(3) Uani 1 d . .
H131 H 0.0402 0.6915 0.3861 0.079 Uiso 1 calc . .
C156 C 0.0027(6) 0.6966(6) 0.3275(3) 0.051(3) Uani 1 d . .
H132 H -0.0176 0.6504 0.3217 0.061 Uiso 1 calc . .
C157 C -0.1749(6) 0.2174(7) 0.1163(5) 0.130(5) Uani 1 d . .
C158 C -0.1581(6) 0.2004(7) 0.0767(5) 0.130(5) Uani 1 d . .
H133 H -0.1899 0.1618 0.0587 0.156 Uiso 1 calc . .
C159 C -0.0883(6) 0.2459(7) 0.0676(5) 0.130(5) Uani 1 d . .
H134 H -0.0616 0.2455 0.0418 0.156 Uiso 1 calc . .
C160 C -0.0618(6) 0.2910(7) 0.1015(5) 0.130(5) Uani 1 d . .
H135 H -0.0137 0.3296 0.1036 0.156 Uiso 1 calc . .
C161 C -0.1154(6) 0.2734(7) 0.1316(6) 0.130(5) Uani 1 d . .
H136 H -0.1124 0.2978 0.1586 0.156 Uiso 1 calc . .
C162 C -0.0142(6) 0.1678(7) 0.1275(4) 0.059(3) Uani 1 d . .
C163 C -0.0798(7) 0.1141(7) 0.1169(5) 0.071(4) Uani 1 d . .
H137 H -0.0923 0.0842 0.0916 0.086 Uiso 1 calc . .
C164 C -0.1253(7) 0.1114(8) 0.1525(5) 0.069(4) Uani 1 d . .
H138 H -0.1762 0.0784 0.1549 0.083 Uiso 1 calc . .
C165 C -0.0894(8) 0.1558(8) 0.1813(5) 0.070(4) Uani 1 d . .
H139 H -0.1088 0.1629 0.2084 0.084 Uiso 1 calc . .
C166 C -0.0205(7) 0.1926(7) 0.1677(4) 0.063(3) Uani 1 d . .
H140 H 0.0178 0.2306 0.1833 0.076 Uiso 1 calc . .
C167 C 0.1723(6) 0.1937(5) 0.2519(3) 0.042(2) Uani 1 d . .
C168 C 0.1254(6) 0.2157(6) 0.2663(3) 0.050(3) Uani 1 d . .
H141 H 0.0978 0.2317 0.2482 0.06 Uiso 1 calc . .
C169 C 0.1230(6) 0.2117(6) 0.3105(4) 0.051(3) Uani 1 d . .
H142 H 0.093 0.2235 0.3295 0.061 Uiso 1 calc . .
C170 C 0.1717(7) 0.1876(6) 0.3234(4) 0.055(3) Uani 1 d . .
H143 H 0.1816 0.1796 0.3532 0.067 Uiso 1 calc . .
C171 C 0.2020(6) 0.1764(5) 0.2873(3) 0.046(3) Uani 1 d . .
H144 H 0.2374 0.1589 0.2865 0.055 Uiso 1 calc . .
C172 C 0.2735(6) 0.3519(5) 0.3320(3) 0.045(2) Uani 1 d . .
C173 C 0.2431(7) 0.3706(6) 0.2968(4) 0.052(3) Uani 1 d . .
H145 H 0.2072 0.3874 0.2984 0.063 Uiso 1 calc . .
C174 C 0.2740(9) 0.3605(7) 0.2594(4) 0.071(4) Uani 1 d . .
H146 H 0.2629 0.3685 0.2298 0.085 Uiso 1 calc . .
C175 C 0.3233(8) 0.3365(7) 0.2713(5) 0.077(4) Uani 1 d . .
H147 H 0.352 0.3245 0.2513 0.092 Uiso 1 calc . .
C176 C 0.3230(6) 0.3308(6) 0.3159(4) 0.055(3) Uani 1 d . .
H148 H 0.3518 0.3148 0.3331 0.066 Uiso 1 calc . .
C177 C 0.1878(8) 0.4391(7) 0.0764(4) 0.067(3) Uani 1 d . .
C178 C 0.1184(8) 0.4175(8) 0.0976(6) 0.089(4) Uani 1 d . .
H149 H 0.093 0.3777 0.1157 0.107 Uiso 1 calc . .
C179 C 0.0952(12) 0.4663(11) 0.0856(8) 0.122(7) Uani 1 d . .
H150 H 0.0505 0.4669 0.0944 0.147 Uiso 1 calc . .
C180 C 0.1480(16) 0.5133(12) 0.0604(7) 0.127(7) Uani 1 d . .
H151 H 0.1464 0.5533 0.0483 0.152 Uiso 1 calc . .
C181 C 0.2064(12) 0.4971(8) 0.0548(5) 0.094(4) Uani 1 d . .
H152 H 0.2503 0.5224 0.0381 0.113 Uiso 1 calc . .
C182 C 0.1898(6) 0.5816(5) 0.1567(4) 0.048(3) Uani 1 d . .
C183 C 0.1731(8) 0.5216(7) 0.1797(4) 0.067(4) Uani 1 d . .
H153 H 0.1294 0.4945 0.1961 0.081 Uiso 1 calc . .
C184 C 0.2339(8) 0.5096(7) 0.1745(4) 0.066(4) Uani 1 d . .
H154 H 0.2384 0.4709 0.1862 0.08 Uiso 1 calc . .
C185 C 0.2827(8) 0.5577(7) 0.1500(5) 0.066(4) Uani 1 d . .
H155 H 0.3291 0.5606 0.1415 0.079 Uiso 1 calc . .
C186 C 0.2566(7) 0.6039(6) 0.1390(4) 0.060(3) Uani 1 d . .
H156 H 0.2817 0.6446 0.1215 0.072 Uiso 1 calc . .
C187 C 0.2730(7) 0.5819(5) 0.3409(3) 0.045(3) Uani 1 d . .
C188 C 0.2280(8) 0.5515(6) 0.3050(4) 0.059(3) Uani 1 d . .
H157 H 0.1944 0.5035 0.3013 0.071 Uiso 1 calc . .
C189 C 0.2408(9) 0.6037(7) 0.2749(4) 0.065(4) Uani 1 d . .
H158 H 0.2174 0.5985 0.2466 0.078 Uiso 1 calc . .
C190 C 0.2933(8) 0.6642(7) 0.2932(4) 0.062(3) Uani 1 d . .
H159 H 0.3127 0.709 0.28 0.075 Uiso 1 calc . .
C191 C 0.3118(7) 0.6500(7) 0.3337(4) 0.061(3) Uani 1 d . .
H160 H 0.3468 0.6832 0.3538 0.074 Uiso 1 calc . .
C192 C 0.1352(6) 0.6580(6) 0.3215(4) 0.050(3) Uani 1 d . .
C193 C 0.1001(6) 0.5908(6) 0.3324(4) 0.061(4) Uani 1 d . .
H161 H 0.0634 0.5538 0.3153 0.074 Uiso 1 calc . .
C194 C 0.1265(8) 0.5861(8) 0.3736(4) 0.069(4) Uani 1 d . .
H162 H 0.1118 0.5442 0.3898 0.083 Uiso 1 calc . .
C195 C 0.1761(8) 0.6472(7) 0.3866(4) 0.065(4) Uani 1 d . .
H163 H 0.2033 0.6572 0.4139 0.078 Uiso 1 calc . .
C196 C 0.1819(8) 0.6941(7) 0.3561(4) 0.064(3) Uani 1 d . .
H164 H 0.2136 0.7429 0.3575 0.076 Uiso 1 calc . .
C197 C -0.0295(10) 0.2215(10) 0.4009(8) 0.118(4) Uani 1 d . .
C198 C -0.0350(10) 0.2227(10) 0.3562(8) 0.118(4) Uani 1 d . .
H165 H -0.0052 0.2616 0.3383 0.141 Uiso 1 calc . .
C199 C -0.0868(11) 0.1628(10) 0.3406(8) 0.118(4) Uani 1 d . .
H166 H -0.1002 0.151 0.3102 0.141 Uiso 1 calc . .
C200 C -0.1171(11) 0.1234(10) 0.3745(8) 0.118(4) Uani 1 d . .
H167 H -0.1571 0.0775 0.3727 0.141 Uiso 1 calc . .
C201 C -0.0832(10) 0.1580(9) 0.4146(8) 0.118(4) Uani 1 d . .
H168 H -0.0937 0.1407 0.4441 0.141 Uiso 1 calc . .
C202 C -0.2247(7) 0.1932(7) 0.3578(5) 0.128(5) Uani 1 d . .
C203 C -0.1700(7) 0.2588(7) 0.3486(5) 0.128(5) Uani 1 d . .
H169 H -0.1558 0.2782 0.3198 0.154 Uiso 1 calc . .
C204 C -0.1383(7) 0.2910(7) 0.3881(5) 0.128(5) Uani 1 d . .
H170 H -0.0987 0.3368 0.3916 0.154 Uiso 1 calc . .
C205 C -0.1734(7) 0.2454(7) 0.4218(5) 0.128(5) Uani 1 d . .
H171 H -0.1624 0.2539 0.4527 0.154 Uiso 1 calc . .
C206 C -0.2268(7) 0.1849(7) 0.4031(5) 0.128(5) Uani 1 d . .
H172 H -0.2589 0.1441 0.4187 0.154 Uiso 1 calc . .
C207 C -0.1560(6) 0.5114(5) 0.2860(3) 0.047(3) Uani 1 d . .
C208 C -0.2287(6) 0.4877(5) 0.2930(4) 0.049(3) Uani 1 d . .
H173 H -0.2581 0.5107 0.2869 0.059 Uiso 1 calc . .
C209 C -0.2514(8) 0.4229(6) 0.3116(4) 0.065(4) Uani 1 d . .
H174 H -0.3008 0.3922 0.32 0.078 Uiso 1 calc . .
C210 C -0.1929(8) 0.4105(6) 0.3163(4) 0.065(4) Uani 1 d . .
H175 H -0.1943 0.369 0.3279 0.078 Uiso 1 calc . .
C211 C -0.1329(8) 0.4641(5) 0.3000(4) 0.057(3) Uani 1 d . .
H176 H -0.084 0.4688 0.2987 0.069 Uiso 1 calc . .
C212 C -0.2622(8) 0.3425(6) 0.2163(4) 0.064(3) Uani 1 d . .
C213 C -0.2802(11) 0.3903(6) 0.2054(4) 0.082(4) Uani 1 d . .
H177 H -0.3293 0.3855 0.2061 0.098 Uiso 1 calc . .
C214 C -0.2207(16) 0.4471(9) 0.1923(6) 0.128(7) Uani 1 d . .
H178 H -0.2196 0.4889 0.1816 0.153 Uiso 1 calc . .
C215 C -0.1665(14) 0.4339(8) 0.1963(6) 0.124(8) Uani 1 d . .
H179 H -0.1167 0.4655 0.1893 0.149 Uiso 1 calc . .
C216 C -0.1890(9) 0.3679(7) 0.2128(5) 0.095(5) Uani 1 d . .
H180 H -0.1598 0.3444 0.2179 0.114 Uiso 1 calc . .
Cl5 Cl -0.20639(17) 0.20680(18) 0.23854(14) 0.0747(10) Uani 1 d . .
Cl6 Cl 0.16747(16) 0.30422(14) 0.15935(9) 0.0492(6) Uani 1 d . .
Cl7 Cl 0.13125(17) 0.39606(17) 0.36879(9) 0.0558(7) Uani 1 d . .
Cl8 Cl 0.02476(16) 0.56220(13) 0.22757(9) 0.0503(6) Uani 1 d . .
C217 C 0.0420(9) 0.3647(8) 0.2688(6) 0.086(5) Uiso 1 d . .
H181 H 0.0613 0.3644 0.2977 0.104 Uiso 1 calc . .
Cl9 Cl 0.0969(3) 0.3615(2) 0.23135(15) 0.0946(12) Uiso 1 d . .
Cl10 Cl -0.0435(3) 0.2960(3) 0.2625(2) 0.1211(17) Uiso 1 d . .
Cl11 Cl 0.0316(3) 0.4371(3) 0.26202(19) 0.1143(16) Uiso 1 d . .
C218 C 0.0232(12) 0.0303(14) 0.3096(7) 0.150(11) Uani 1 d . .
H182 H 0.0557 0.0763 0.3005 0.18 Uiso 1 calc . .
Cl12 Cl -0.0138(7) -0.0076(10) 0.2659(5) 0.305(5) Uani 1 d . .
Cl13 Cl 0.0749(7) 0.0067(10) 0.3353(5) 0.305(5) Uani 1 d . .
Cl14 Cl -0.0344(7) 0.0394(9) 0.3383(5) 0.305(5) Uani 1 d . .
C219 C 0.5451(13) 0.3792(10) 0.2813(9) 0.138(9) Uani 1 d . .
H183 H 0.5842 0.3686 0.2734 0.165 Uiso 1 calc . .
Cl15 Cl 0.4999(5) 0.3718(7) 0.2337(3) 0.230(6) Uani 1 d . .
Cl16 Cl 0.4951(4) 0.3175(3) 0.3157(2) 0.132(2) Uani 1 d . .
Cl17 Cl 0.5855(5) 0.4537(4) 0.3016(4) 0.246(7) Uani 1 d . .
C220 C 0.3719(14) 0.7461(9) 0.4607(7) 0.125(8) Uani 1 d . .
H184 H 0.376 0.7081 0.4472 0.15 Uiso 1 calc . .
Cl18 Cl 0.3040(5) 0.7146(5) 0.4982(3) 0.188(4) Uani 1 d . .
Cl19 Cl 0.4517(5) 0.7978(4) 0.4846(3) 0.185(3) Uani 1 d . .
Cl20 Cl 0.3516(7) 0.7889(4) 0.4213(3) 0.230(6) Uani 1 d . .
C221 C 0.6985(10) 0.5003(10) 0.0622(8) 0.113(7) Uani 1 d . .
H185 H 0.715 0.5358 0.0404 0.135 Uiso 1 calc . .
Cl21 Cl 0.6921(4) 0.5360(5) 0.1122(3) 0.174(3) Uani 1 d . .
Cl22 Cl 0.7640(3) 0.4774(3) 0.0711(3) 0.145(3) Uani 1 d . .
Cl23 Cl 0.6164(4) 0.4367(4) 0.0459(3) 0.153(3) Uani 1 d . .
C222 C 0.3488(11) 1.0029(12) -0.0497(6) 0.108(7) Uani 1 d . .
H186 H 0.3769 0.9829 -0.0632 0.13 Uiso 1 calc . .
Cl24 Cl 0.2831(6) 0.9928(6) -0.08253(19) 0.211(5) Uani 1 d . .
Cl25 Cl 0.4073(5) 1.0877(4) -0.0370(3) 0.182(4) Uani 1 d . .
Cl26 Cl 0.3176(4) 0.9635(4) -0.00168(19) 0.133(2) Uani 1 d . .
C223 C 0.3319(12) 0.1817(9) 0.4018(9) 0.127(9) Uani 1 d . .
H187 H 0.3356 0.2272 0.3998 0.153 Uiso 1 calc . .
Cl27 Cl 0.3938(5) 0.1848(4) 0.4390(4) 0.202(4) Uani 1 d . .
Cl28 Cl 0.2493(4) 0.1299(4) 0.4186(3) 0.166(3) Uani 1 d . .
Cl29 Cl 0.3500(5) 0.1607(5) 0.3533(3) 0.180(3) Uani 1 d . .
C224 C 0.0812(14) 0.9167(12) 0.4807(8) 0.128(8) Uiso 1 d . .
H188 H 0.0451 0.8755 0.4943 0.154 Uiso 1 calc . .
Cl30 Cl 0.1081(6) 0.9862(5) 0.5169(3) 0.199(4) Uiso 1 d . .
Cl31 Cl 0.0478(6) 0.9331(6) 0.4391(4) 0.215(4) Uiso 1 d . .
Cl32 Cl 0.1552(7) 0.9080(6) 0.4696(4) 0.234(5) Uiso 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 0 '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'
O O 0.0106 0.006 '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
P3 Pt1 P1 94.17(9) . .
P3 Pt1 P2 95.55(10) . .
P1 Pt1 P2 166.23(10) . .
P3 Pt1 Cl1 174.24(10) . .
P1 Pt1 Cl1 81.18(9) . .
P2 Pt1 Cl1 88.47(10) . .
P4 Pt2 P5 94.22(9) . .
P4 Pt2 P6 98.02(10) . .
P5 Pt2 P6 164.49(9) . .
P4 Pt2 Cl2 171.51(9) . .
P5 Pt2 Cl2 80.09(9) . .
P6 Pt2 Cl2 86.64(10) . .
P7 Pt3 P8 93.74(9) . .
P7 Pt3 P9 96.79(10) . .
P8 Pt3 P9 164.20(9) . .
P7 Pt3 Cl3 172.38(10) . .
P8 Pt3 Cl3 80.13(9) . .
P9 Pt3 Cl3 88.32(9) . .
P11 Pt4 P12 93.75(10) . .
P11 Pt4 P10 95.31(11) . .
P12 Pt4 P10 167.57(10) . .
P11 Pt4 Cl4 171.49(9) . .
P12 Pt4 Cl4 81.31(10) . .
P10 Pt4 Cl4 88.63(10) . .
C164 Fe1 C161 132.3(6) . .
C164 Fe1 C160 173.1(6) . .
C161 Fe1 C160 40.9(3) . .
C164 Fe1 C157 107.4(5) . .
C161 Fe1 C157 40.8(3) . .
C160 Fe1 C157 68.1(4) . .
C164 Fe1 C162 68.0(5) . .
C161 Fe1 C162 147.7(6) . .
C160 Fe1 C162 117.1(5) . .
C157 Fe1 C162 171.2(6) . .
C164 Fe1 C165 37.6(6) . .
C161 Fe1 C165 112.0(6) . .
C160 Fe1 C165 138.5(7) . .
C157 Fe1 C165 114.2(6) . .
C162 Fe1 C165 67.2(5) . .
C164 Fe1 C163 42.6(6) . .
C161 Fe1 C163 172.1(5) . .
C160 Fe1 C163 144.3(6) . .
C157 Fe1 C163 131.6(6) . .
C162 Fe1 C163 40.0(5) . .
C165 Fe1 C163 67.5(6) . .
C164 Fe1 C166 65.4(6) . .
C161 Fe1 C166 117.8(6) . .
C160 Fe1 C166 115.1(6) . .
C157 Fe1 C166 145.8(6) . .
C162 Fe1 C166 40.2(5) . .
C165 Fe1 C166 39.3(5) . .
C163 Fe1 C166 67.2(6) . .
C164 Fe1 C159 144.2(7) . .
C161 Fe1 C159 67.7(4) . .
C160 Fe1 C159 39.9(3) . .
C157 Fe1 C159 67.0(4) . .
C162 Fe1 C159 111.9(5) . .
C165 Fe1 C159 177.9(7) . .
C163 Fe1 C159 113.1(6) . .
C166 Fe1 C159 138.9(5) . .
C164 Fe1 C158 113.2(6) . .
C161 Fe1 C158 67.6(4) . .
C160 Fe1 C158 67.0(4) . .
C157 Fe1 C158 39.8(3) . .
C162 Fe1 C158 134.0(6) . .
C165 Fe1 C158 142.6(6) . .
C163 Fe1 C158 107.7(6) . .
C166 Fe1 C158 174.1(6) . .
C159 Fe1 C158 39.3(3) . .
C170 Fe2 C172 111.6(4) . .
C170 Fe2 C171 40.1(5) . .
C172 Fe2 C171 138.5(4) . .
C170 Fe2 C169 41.4(5) . .
C172 Fe2 C169 112.4(5) . .
C171 Fe2 C169 68.4(5) . .
C170 Fe2 C168 68.3(5) . .
C172 Fe2 C168 140.5(5) . .
C171 Fe2 C168 68.1(5) . .
C169 Fe2 C168 40.1(5) . .
C170 Fe2 C167 67.7(4) . .
C172 Fe2 C167 179.3(4) . .
C171 Fe2 C167 40.9(4) . .
C169 Fe2 C167 67.2(4) . .
C168 Fe2 C167 39.5(4) . .
C170 Fe2 C173 139.0(5) . .
C172 Fe2 C173 41.3(5) . .
C171 Fe2 C173 179.1(5) . .
C169 Fe2 C173 110.7(5) . .
C168 Fe2 C173 111.5(5) . .
C167 Fe2 C173 139.3(4) . .
C170 Fe2 C174 179.2(6) . .
C172 Fe2 C174 68.7(5) . .
C171 Fe2 C174 140.2(5) . .
C169 Fe2 C174 137.8(6) . .
C168 Fe2 C174 111.0(6) . .
C167 Fe2 C174 112.1(5) . .
C173 Fe2 C174 40.7(5) . .
C170 Fe2 C176 112.0(5) . .
C172 Fe2 C176 41.1(4) . .
C171 Fe2 C176 111.0(5) . .
C169 Fe2 C176 141.1(5) . .
C168 Fe2 C176 178.3(5) . .
C167 Fe2 C176 138.9(4) . .
C173 Fe2 C176 69.4(5) . .
C174 Fe2 C176 68.7(6) . .
C170 Fe2 C175 140.0(6) . .
C172 Fe2 C175 68.3(5) . .
C171 Fe2 C175 112.1(6) . .
C169 Fe2 C175 178.4(6) . .
C168 Fe2 C175 138.5(5) . .
C167 Fe2 C175 112.2(5) . .
C173 Fe2 C175 68.7(6) . .
C174 Fe2 C175 40.9(6) . .
C176 Fe2 C175 40.3(5) . .
C180 Fe3 C185 141.2(11) . .
C180 Fe3 C182 111.3(5) . .
C185 Fe3 C182 68.5(5) . .
C180 Fe3 C186 112.3(8) . .
C185 Fe3 C186 41.3(5) . .
C182 Fe3 C186 40.2(5) . .
C180 Fe3 C181 42.3(8) . .
C185 Fe3 C181 112.4(8) . .
C182 Fe3 C181 141.1(5) . .
C186 Fe3 C181 113.5(7) . .
C180 Fe3 C184 179.6(8) . .
C185 Fe3 C184 39.0(6) . .
C182 Fe3 C184 68.4(5) . .
C186 Fe3 C184 67.6(6) . .
C181 Fe3 C184 138.0(6) . .
C180 Fe3 C177 67.7(5) . .
C185 Fe3 C177 113.4(5) . .
C182 Fe3 C177 178.0(6) . .
C186 Fe3 C177 141.7(6) . .
C181 Fe3 C177 39.3(6) . .
C184 Fe3 C177 112.6(5) . .
C180 Fe3 C179 40.4(10) . .
C185 Fe3 C179 176.9(8) . .
C182 Fe3 C179 108.6(6) . .
C186 Fe3 C179 136.9(6) . .
C181 Fe3 C179 70.5(10) . .
C184 Fe3 C179 139.5(10) . .
C177 Fe3 C179 69.5(6) . .
C180 Fe3 C183 138.3(8) . .
C185 Fe3 C183 68.5(6) . .
C182 Fe3 C183 41.2(5) . .
C186 Fe3 C183 68.7(6) . .
C181 Fe3 C183 177.6(6) . .
C184 Fe3 C183 41.3(5) . .
C177 Fe3 C183 138.4(6) . .
C179 Fe3 C183 108.7(9) . .
C180 Fe3 C178 68.8(9) . .
C185 Fe3 C178 140.1(6) . .
C182 Fe3 C178 135.6(6) . .
C186 Fe3 C178 175.7(7) . .
C181 Fe3 C178 70.3(8) . .
C184 Fe3 C178 111.3(7) . .
C177 Fe3 C178 42.6(7) . .
C179 Fe3 C178 41.4(6) . .
C183 Fe3 C178 107.6(8) . .
C195 Fe4 C194 39.3(6) . .
C195 Fe4 C192 68.7(5) . .
C194 Fe4 C192 68.1(5) . .
C195 Fe4 C193 68.7(6) . .
C194 Fe4 C193 41.5(5) . .
C192 Fe4 C193 40.4(5) . .
C195 Fe4 C191 109.6(6) . .
C194 Fe4 C191 134.8(5) . .
C192 Fe4 C191 143.2(5) . .
C193 Fe4 C191 175.8(5) . .
C195 Fe4 C187 111.8(5) . .
C194 Fe4 C187 110.1(5) . .
C192 Fe4 C187 176.7(5) . .
C193 Fe4 C187 136.4(5) . .
C191 Fe4 C187 40.1(5) . .
C195 Fe4 C188 141.2(5) . .
C194 Fe4 C188 113.3(6) . .
C192 Fe4 C188 136.7(5) . .
C193 Fe4 C188 110.1(6) . .
C191 Fe4 C188 68.6(6) . .
C187 Fe4 C188 41.0(5) . .
C195 Fe4 C189 176.6(6) . .
C194 Fe4 C189 143.9(7) . .
C192 Fe4 C189 110.8(5) . .
C193 Fe4 C189 113.2(6) . .
C191 Fe4 C189 68.7(6) . .
C187 Fe4 C189 68.9(4) . .
C188 Fe4 C189 41.4(5) . .
C195 Fe4 C190 136.2(6) . .
C194 Fe4 C190 174.6(6) . .
C192 Fe4 C190 114.2(5) . .
C193 Fe4 C190 143.3(5) . .
C191 Fe4 C190 40.5(5) . .
C187 Fe4 C190 67.9(5) . .
C188 Fe4 C190 68.8(6) . .
C189 Fe4 C190 40.7(6) . .
C195 Fe4 C196 40.1(5) . .
C194 Fe4 C196 66.9(6) . .
C192 Fe4 C196 41.3(5) . .
C193 Fe4 C196 68.5(6) . .
C191 Fe4 C196 112.9(6) . .
C187 Fe4 C196 141.0(4) . .
C188 Fe4 C196 178.0(5) . .
C189 Fe4 C196 137.4(5) . .
C190 Fe4 C196 111.3(6) . .
C200 Fe5 C198 66.6(9) . .
C200 Fe5 C204 179.0(6) . .
C198 Fe5 C204 112.8(7) . .
C200 Fe5 C205 138.5(10) . .
C198 Fe5 C205 142.5(6) . .
C204 Fe5 C205 41.5(3) . .
C200 Fe5 C203 139.5(7) . .
C198 Fe5 C203 110.3(8) . .
C204 Fe5 C203 41.3(3) . .
C205 Fe5 C203 69.6(4) . .
C200 Fe5 C206 111.0(9) . .
C198 Fe5 C206 176.1(6) . .
C204 Fe5 C206 69.6(4) . .
C205 Fe5 C206 41.3(3) . .
C203 Fe5 C206 69.3(4) . .
C200 Fe5 C202 111.5(6) . .
C198 Fe5 C202 136.2(8) . .
C204 Fe5 C202 69.5(4) . .
C205 Fe5 C202 69.5(4) . .
C203 Fe5 C202 41.1(3) . .
C206 Fe5 C202 41.1(3) . .
C200 Fe5 C199 39.2(9) . .
C198 Fe5 C199 39.9(7) . .
C204 Fe5 C199 140.8(9) . .
C205 Fe5 C199 177.3(9) . .
C203 Fe5 C199 111.4(8) . .
C206 Fe5 C199 136.4(7) . .
C202 Fe5 C199 109.5(6) . .
C200 Fe5 C201 42.8(7) . .
C198 Fe5 C201 68.8(10) . .
C204 Fe5 C201 136.3(6) . .
C205 Fe5 C201 109.4(8) . .
C203 Fe5 C201 177.3(6) . .
C206 Fe5 C201 111.7(9) . .
C202 Fe5 C201 141.3(8) . .
C199 Fe5 C201 69.7(9) . .
C200 Fe5 C197 68.7(7) . .
C198 Fe5 C197 40.6(9) . .
C204 Fe5 C197 110.4(6) . .
C205 Fe5 C197 112.7(6) . .
C203 Fe5 C197 136.8(8) . .
C206 Fe5 C197 142.1(9) . .
C202 Fe5 C197 176.7(9) . .
C199 Fe5 C197 68.4(7) . .
C201 Fe5 C197 41.0(9) . .
C207 Fe6 C215 109.0(6) . .
C207 Fe6 C213 138.2(5) . .
C215 Fe6 C213 65.3(9) . .
C207 Fe6 C209 68.2(5) . .
C215 Fe6 C209 176.7(6) . .
C213 Fe6 C209 115.5(7) . .
C207 Fe6 C216 138.1(6) . .
C215 Fe6 C216 42.0(8) . .
C213 Fe6 C216 66.9(8) . .
C209 Fe6 C216 141.3(6) . .
C207 Fe6 C214 108.6(6) . .
C215 Fe6 C214 38.0(10) . .
C213 Fe6 C214 40.2(8) . .
C209 Fe6 C214 140.5(10) . .
C216 Fe6 C214 68.2(10) . .
C207 Fe6 C208 40.6(5) . .
C215 Fe6 C208 135.0(7) . .
C213 Fe6 C208 112.4(6) . .
C209 Fe6 C208 41.7(5) . .
C216 Fe6 C208 177.0(6) . .
C214 Fe6 C208 109.3(8) . .
C207 Fe6 C211 41.4(4) . .
C215 Fe6 C211 110.8(9) . .
C213 Fe6 C211 176.1(6) . .
C209 Fe6 C211 68.3(6) . .
C216 Fe6 C211 110.9(7) . .
C214 Fe6 C211 136.3(8) . .
C208 Fe6 C211 69.7(5) . .
C207 Fe6 C212 175.1(5) . .
C215 Fe6 C212 66.7(6) . .
C213 Fe6 C212 38.6(6) . .
C209 Fe6 C212 116.1(5) . .
C216 Fe6 C212 40.0(6) . .
C214 Fe6 C212 66.7(6) . .
C208 Fe6 C212 141.0(6) . .
C211 Fe6 C212 141.4(5) . .
C207 Fe6 C210 67.7(4) . .
C215 Fe6 C210 140.9(10) . .
C213 Fe6 C210 143.6(6) . .
C209 Fe6 C210 40.2(6) . .
C216 Fe6 C210 113.4(7) . .
C214 Fe6 C210 176.0(7) . .
C208 Fe6 C210 69.0(5) . .
C211 Fe6 C210 39.9(5) . .
C212 Fe6 C210 117.0(5) . .
C13 P1 C19 102.4(5) . .
C13 P1 C1 100.4(6) . .
C19 P1 C1 101.1(5) . .
C13 P1 Pt1 113.5(4) . .
C19 P1 Pt1 123.1(4) . .
C1 P1 Pt1 113.4(4) . .
C25 P2 C31 105.7(7) . .
C25 P2 C2 108.1(8) . .
C31 P2 C2 98.1(6) . .
C25 P2 Pt1 107.9(5) . .
C31 P2 Pt1 115.5(4) . .
C2 P2 Pt1 120.4(5) . .
C43 P3 C37 103.8(5) . .
C43 P3 C3 97.6(6) . .
C37 P3 C3 106.0(5) . .
C43 P3 Pt1 123.2(4) . .
C37 P3 Pt1 111.0(4) . .
C3 P3 Pt1 113.3(4) . .
C55 P4 C49 103.6(5) . .
C55 P4 C4 98.8(5) . .
C49 P4 C4 105.1(5) . .
C55 P4 Pt2 120.7(4) . .
C49 P4 Pt2 109.9(3) . .
C4 P4 Pt2 116.9(4) . .
C67 P5 C61 103.7(5) . .
C67 P5 C5 103.8(5) . .
C61 P5 C5 98.8(5) . .
C67 P5 Pt2 113.3(3) . .
C61 P5 Pt2 123.0(3) . .
C5 P5 Pt2 111.7(3) . .
C79 P6 C73 104.3(7) . .
C79 P6 C6 96.8(7) . .
C73 P6 C6 109.3(6) . .
C79 P6 Pt2 117.4(6) . .
C73 P6 Pt2 107.0(4) . .
C6 P6 Pt2 120.7(4) . .
C85 P7 C91 103.4(5) . .
C85 P7 C7 107.9(5) . .
C91 P7 C7 96.3(5) . .
C85 P7 Pt3 112.0(3) . .
C91 P7 Pt3 122.3(3) . .
C7 P7 Pt3 113.3(3) . .
C97 P8 C103 104.4(5) . .
C97 P8 C8 99.4(5) . .
C103 P8 C8 102.5(5) . .
C97 P8 Pt3 122.7(3) . .
C103 P8 Pt3 112.5(4) . .
C8 P8 Pt3 112.9(4) . .
C109 P9 C115 106.4(6) . .
C109 P9 C9 106.6(7) . .
C115 P9 C9 95.7(5) . .
C109 P9 Pt3 104.7(5) . .
C115 P9 Pt3 118.3(4) . .
C9 P9 Pt3 123.7(4) . .
C121 P10 C127 105.1(6) . .
C121 P10 C10 95.7(5) . .
C127 P10 C10 108.2(6) . .
C121 P10 Pt4 116.0(4) . .
C127 P10 Pt4 108.1(4) . .
C10 P10 Pt4 122.1(4) . .
C139 P11 C133 103.9(5) . .
C139 P11 C11 105.6(5) . .
C133 P11 C11 97.4(6) . .
C139 P11 Pt4 110.2(4) . .
C133 P11 Pt4 120.8(4) . .
C11 P11 Pt4 117.1(4) . .
C145 P12 C151 104.1(6) . .
C145 P12 C12 100.3(5) . .
C151 P12 C12 101.3(5) . .
C145 P12 Pt4 114.5(4) . .
C151 P12 Pt4 120.6(4) . .
C12 P12 Pt4 113.4(3) . .
O1 C1 N1 127.2(12) . .
O1 C1 P1 117.6(10) . .
N1 C1 P1 115.1(10) . .
C1 N1 C157 121.9(13) . .
C1 N1 H1 119.1 . .
C157 N1 H1 119.1 . .
O2 C2 N2 125.5(14) . .
O2 C2 P2 120.9(13) . .
N2 C2 P2 113.3(12) . .
C2 N2 C202 128.3(14) . .
C2 N2 H2 115.9 . .
C202 N2 H2 115.9 . .
O3 C3 N3 126.1(10) . .
O3 C3 P3 120.5(9) . .
N3 C3 P3 113.1(7) . .
C3 N3 C212 122.8(10) . .
C3 N3 H3 118.6 . .
C212 N3 H3 118.6 . .
O4 C4 N4 125.5(10) . .
O4 C4 P4 118.0(9) . .
N4 C4 P4 116.4(8) . .
C4 N4 C162 127.1(11) . .
C4 N4 H4 116.5 . .
C162 N4 H4 116.5 . .
O5 C5 N5 125.4(10) . .
O5 C5 P5 118.2(8) . .
N5 C5 P5 116.1(7) . .
C5 N5 C167 125.3(9) . .
C5 N5 H5 117.3 . .
C167 N5 H5 117.3 . .
O6 C6 N6 128.6(11) . .
O6 C6 P6 120.0(11) . .
N6 C6 P6 111.3(8) . .
C6 N6 C177 122.4(11) . .
C6 N6 H6 118.8 . .
C177 N6 H6 118.8 . .
O7 C7 N7 124.6(9) . .
O7 C7 P7 120.4(8) . .
N7 C7 P7 114.8(7) . .
C7 N7 C172 126.4(9) . .
C7 N7 H7 116.8 . .
C172 N7 H7 116.8 . .
O8 C8 N8 125.4(10) . .
O8 C8 P8 119.0(8) . .
N8 C8 P8 115.4(8) . .
C8 N8 C187 122.5(9) . .
C8 N8 H8 118.8 . .
C187 N8 H8 118.8 . .
O9 C9 N9 124.6(12) . .
O9 C9 P9 122.7(10) . .
N9 C9 P9 112.4(9) . .
C9 N9 C197 126.8(15) . .
C9 N9 H9 116.6 . .
C197 N9 H9 116.6 . .
O10 C10 N10 127.2(11) . .
O10 C10 P10 121.5(8) . .
N10 C10 P10 110.9(9) . .
C10 N10 C182 122.6(10) . .
C10 N10 H10 118.7 . .
C182 N10 H10 118.7 . .
O11 C11 N11 128.2(10) . .
O11 C11 P11 119.3(8) . .
N11 C11 P11 112.2(8) . .
C11 N11 C192 124.2(10) . .
C11 N11 H11 117.9 . .
C192 N11 H11 117.9 . .
O12 C12 N12 125.3(10) . .
O12 C12 P12 119.7(7) . .
N12 C12 P12 114.5(8) . .
C12 N12 C207 123.8(9) . .
C12 N12 H12 118.1 . .
C207 N12 H12 118.1 . .
C18 C13 C14 118.2(12) . .
C18 C13 P1 123.4(9) . .
C14 C13 P1 118.2(9) . .
C15 C14 C13 121.7(13) . .
C15 C14 H13 119.1 . .
C13 C14 H13 119.1 . .
C14 C15 C16 118.7(13) . .
C14 C15 H14 120.7 . .
C16 C15 H14 120.7 . .
C17 C16 C15 119.4(14) . .
C17 C16 H15 120.3 . .
C15 C16 H15 120.3 . .
C16 C17 C18 122.4(14) . .
C16 C17 H16 118.8 . .
C18 C17 H16 118.8 . .
C13 C18 C17 119.6(12) . .
C13 C18 H17 120.2 . .
C17 C18 H17 120.2 . .
C20 C19 C24 119.1(10) . .
C20 C19 P1 121.7(9) . .
C24 C19 P1 119.2(8) . .
C19 C20 C21 119.6(12) . .
C19 C20 H18 120.2 . .
C21 C20 H18 120.2 . .
C22 C21 C20 121.2(12) . .
C22 C21 H19 119.4 . .
C20 C21 H19 119.4 . .
C21 C22 C23 119.4(10) . .
C21 C22 H20 120.3 . .
C23 C22 H20 120.3 . .
C24 C23 C22 119.9(12) . .
C24 C23 H21 120 . .
C22 C23 H21 120 . .
C23 C24 C19 120.8(11) . .
C23 C24 H22 119.6 . .
C19 C24 H22 119.6 . .
C26 C25 C30 116.7(16) . .
C26 C25 P2 116.2(13) . .
C30 C25 P2 126.6(13) . .
C25 C26 C27 119.5(18) . .
C25 C26 H23 120.3 . .
C27 C26 H23 120.3 . .
C28 C27 C26 122(2) . .
C28 C27 H24 118.8 . .
C26 C27 H24 118.8 . .
C29 C28 C27 118(2) . .
C29 C28 H25 120.9 . .
C27 C28 H25 120.9 . .
C28 C29 C30 122(3) . .
C28 C29 H26 118.9 . .
C30 C29 H26 118.9 . .
C25 C30 C29 120(2) . .
C25 C30 H27 120 . .
C29 C30 H27 120 . .
C32 C31 C36 120 . .
C32 C31 P2 121.6(7) . .
C36 C31 P2 118.3(7) . .
C31 C32 C33 120 . .
C31 C32 H28 120 . .
C33 C32 H28 120 . .
C34 C33 C32 120 . .
C34 C33 H29 120 . .
C32 C33 H29 120 . .
C33 C34 C35 120 . .
C33 C34 H30 120 . .
C35 C34 H30 120 . .
C36 C35 C34 120 . .
C36 C35 H31 120 . .
C34 C35 H31 120 . .
C35 C36 C31 120 . .
C35 C36 H32 120 . .
C31 C36 H32 120 . .
C42 C37 C38 122.1(10) . .
C42 C37 P3 116.9(8) . .
C38 C37 P3 120.9(9) . .
C39 C38 C37 118.8(13) . .
C39 C38 H33 120.6 . .
C37 C38 H33 120.6 . .
C40 C39 C38 120.7(14) . .
C40 C39 H34 119.7 . .
C38 C39 H34 119.7 . .
C39 C40 C41 121.3(12) . .
C39 C40 H35 119.3 . .
C41 C40 H35 119.3 . .
C40 C41 C42 120.8(14) . .
C40 C41 H36 119.6 . .
C42 C41 H36 119.6 . .
C37 C42 C41 116.1(12) . .
C37 C42 H37 122 . .
C41 C42 H37 122 . .
C48 C43 C44 118.7(12) . .
C48 C43 P3 121.8(10) . .
C44 C43 P3 119.5(10) . .
C45 C44 C43 118.9(15) . .
C45 C44 H38 120.6 . .
C43 C44 H38 120.6 . .
C46 C45 C44 122.7(17) . .
C46 C45 H39 118.7 . .
C44 C45 H39 118.7 . .
C45 C46 C47 117.4(16) . .
C45 C46 H40 121.3 . .
C47 C46 H40 121.3 . .
C46 C47 C48 122.7(16) . .
C46 C47 H41 118.7 . .
C48 C47 H41 118.7 . .
C43 C48 C47 119.5(15) . .
C43 C48 H42 120.2 . .
C47 C48 H42 120.2 . .
C54 C49 C50 118.8(11) . .
C54 C49 P4 124.6(8) . .
C50 C49 P4 116.5(9) . .
C49 C50 C51 119.3(13) . .
C49 C50 H43 120.3 . .
C51 C50 H43 120.3 . .
C52 C51 C50 119.7(12) . .
C52 C51 H44 120.2 . .
C50 C51 H44 120.2 . .
C53 C52 C51 121.0(13) . .
C53 C52 H45 119.5 . .
C51 C52 H45 119.5 . .
C52 C53 C54 119.3(13) . .
C52 C53 H46 120.4 . .
C54 C53 H46 120.4 . .
C53 C54 C49 121.6(11) . .
C53 C54 H47 119.2 . .
C49 C54 H47 119.2 . .
C56 C55 C60 119.9(11) . .
C56 C55 P4 121.4(9) . .
C60 C55 P4 118.7(10) . .
C55 C56 C57 119.7(15) . .
C55 C56 H48 120.2 . .
C57 C56 H48 120.2 . .
C58 C57 C56 122.4(17) . .
C58 C57 H49 118.8 . .
C56 C57 H49 118.8 . .
C57 C58 C59 119.0(14) . .
C57 C58 H50 120.5 . .
C59 C58 H50 120.5 . .
C58 C59 C60 118.1(14) . .
C58 C59 H51 121 . .
C60 C59 H51 121 . .
C55 C60 C59 120.6(14) . .
C55 C60 H52 119.7 . .
C59 C60 H52 119.7 . .
C66 C61 C62 117.9(10) . .
C66 C61 P5 121.5(8) . .
C62 C61 P5 120.6(9) . .
C63 C62 C61 117.7(13) . .
C63 C62 H53 121.2 . .
C61 C62 H53 121.2 . .
C64 C63 C62 124.1(13) . .
C64 C63 H54 117.9 . .
C62 C63 H54 117.9 . .
C65 C64 C63 118.6(13) . .
C65 C64 H55 120.7 . .
C63 C64 H55 120.7 . .
C64 C65 C66 122.1(14) . .
C64 C65 H56 119 . .
C66 C65 H56 119 . .
C61 C66 C65 119.6(12) . .
C61 C66 H57 120.2 . .
C65 C66 H57 120.2 . .
C72 C67 C68 118.6(9) . .
C72 C67 P5 121.5(7) . .
C68 C67 P5 119.8(8) . .
C69 C68 C67 119.9(12) . .
C69 C68 H58 120.1 . .
C67 C68 H58 120.1 . .
C70 C69 C68 120.5(11) . .
C70 C69 H59 119.8 . .
C68 C69 H59 119.8 . .
C71 C70 C69 121.1(11) . .
C71 C70 H60 119.5 . .
C69 C70 H60 119.5 . .
C70 C71 C72 119.9(11) . .
C70 C71 H61 120 . .
C72 C71 H61 120 . .
C71 C72 C67 120.0(10) . .
C71 C72 H62 120 . .
C67 C72 H62 120 . .
C74 C73 C78 120 . .
C74 C73 P6 114.1(7) . .
C78 C73 P6 125.6(7) . .
C73 C74 C75 120 . .
C73 C74 H63 120 . .
C75 C74 H63 120 . .
C74 C75 C76 120 . .
C74 C75 H64 120 . .
C76 C75 H64 120 . .
C75 C76 C77 120 . .
C75 C76 H65 120 . .
C77 C76 H65 120 . .
C76 C77 C78 120 . .
C76 C77 H66 120 . .
C78 C77 H66 120 . .
C77 C78 C73 120 . .
C77 C78 H67 120 . .
C73 C78 H67 120 . .
C80 C79 C84 119.0(16) . .
C80 C79 P6 121.3(15) . .
C84 C79 P6 119.7(13) . .
C79 C80 C81 116.4(17) . .
C79 C80 H68 121.8 . .
C81 C80 H68 121.8 . .
C82 C81 C80 121.5(17) . .
C82 C81 H69 119.3 . .
C80 C81 H69 119.3 . .
C81 C82 C83 121.9(17) . .
C81 C82 H70 119.1 . .
C83 C82 H70 119.1 . .
C84 C83 C82 118.2(18) . .
C84 C83 H71 120.9 . .
C82 C83 H71 120.9 . .
C83 C84 C79 123.0(17) . .
C83 C84 H72 118.5 . .
C79 C84 H72 118.5 . .
C90 C85 C86 119.1(10) . .
C90 C85 P7 117.6(8) . .
C86 C85 P7 123.2(9) . .
C87 C86 C85 122.0(12) . .
C87 C86 H73 119 . .
C85 C86 H73 119 . .
C86 C87 C88 118.8(12) . .
C86 C87 H74 120.6 . .
C88 C87 H74 120.6 . .
C87 C88 C89 120.2(12) . .
C87 C88 H75 119.9 . .
C89 C88 H75 119.9 . .
C90 C89 C88 118.0(12) . .
C90 C89 H76 121 . .
C88 C89 H76 121 . .
C85 C90 C89 121.8(11) . .
C85 C90 H77 119.1 . .
C89 C90 H77 119.1 . .
C96 C91 C92 120.2(10) . .
C96 C91 P7 119.3(8) . .
C92 C91 P7 120.5(9) . .
C93 C92 C91 117.3(12) . .
C93 C92 H78 121.4 . .
C91 C92 H78 121.4 . .
C94 C93 C92 123.0(13) . .
C94 C93 H79 118.5 . .
C92 C93 H79 118.5 . .
C93 C94 C95 121.8(12) . .
C93 C94 H80 119.1 . .
C95 C94 H80 119.1 . .
C94 C95 C96 118.7(12) . .
C94 C95 H81 120.7 . .
C96 C95 H81 120.7 . .
C91 C96 C95 119.0(11) . .
C91 C96 H82 120.5 . .
C95 C96 H82 120.5 . .
C98 C97 C102 118.7(10) . .
C98 C97 P8 120.7(8) . .
C102 C97 P8 120.5(8) . .
C99 C98 C97 120.2(11) . .
C99 C98 H83 119.9 . .
C97 C98 H83 119.9 . .
C98 C99 C100 121.6(12) . .
C98 C99 H84 119.2 . .
C100 C99 H84 119.2 . .
C101 C100 C99 118.1(11) . .
C101 C100 H85 121 . .
C99 C100 H85 121 . .
C100 C101 C102 122.1(11) . .
C100 C101 H86 119 . .
C102 C101 H86 119 . .
C101 C102 C97 119.4(11) . .
C101 C102 H87 120.3 . .
C97 C102 H87 120.3 . .
C108 C103 C104 118.7(11) . .
C108 C103 P8 121.8(9) . .
C104 C103 P8 119.5(9) . .
C103 C104 C105 120.4(14) . .
C103 C104 H88 119.8 . .
C105 C104 H88 119.8 . .
C104 C105 C106 117.7(14) . .
C104 C105 H89 121.2 . .
C106 C105 H89 121.2 . .
C107 C106 C105 120.8(12) . .
C107 C106 H90 119.6 . .
C105 C106 H90 119.6 . .
C106 C107 C108 121.7(14) . .
C106 C107 H91 119.1 . .
C108 C107 H91 119.1 . .
C103 C108 C107 120.7(13) . .
C103 C108 H92 119.6 . .
C107 C108 H92 119.6 . .
C110 C109 C114 120.6(13) . .
C110 C109 P9 114.4(12) . .
C114 C109 P9 123.5(13) . .
C111 C110 C109 120.7(16) . .
C111 C110 H93 119.7 . .
C109 C110 H93 119.7 . .
C110 C111 C112 118.4(16) . .
C110 C111 H94 120.8 . .
C112 C111 H94 120.8 . .
C113 C112 C111 121.2(14) . .
C113 C112 H95 119.4 . .
C111 C112 H95 119.4 . .
C112 C113 C114 122.5(16) . .
C112 C113 H96 118.7 . .
C114 C113 H96 118.7 . .
C109 C114 C113 116.6(16) . .
C109 C114 H97 121.7 . .
C113 C114 H97 121.7 . .
C120 C115 C116 119.8(11) . .
C120 C115 P9 119.9(9) . .
C116 C115 P9 119.6(8) . .
C117 C116 C115 120.1(11) . .
C117 C116 H98 120 . .
C115 C116 H98 120 . .
C116 C117 C118 120.0(12) . .
C116 C117 H99 120 . .
C118 C117 H99 120 . .
C119 C118 C117 120.1(12) . .
C119 C118 H100 119.9 . .
C117 C118 H100 119.9 . .
C118 C119 C120 121.3(14) . .
C118 C119 H101 119.3 . .
C120 C119 H101 119.3 . .
C115 C120 C119 118.5(13) . .
C115 C120 H102 120.7 . .
C119 C120 H102 120.7 . .
C122 C121 C126 118.2(12) . .
C122 C121 P10 121.8(9) . .
C126 C121 P10 119.8(11) . .
C123 C122 C121 121.4(14) . .
C123 C122 H103 119.3 . .
C121 C122 H103 119.3 . .
C122 C123 C124 117.9(17) . .
C122 C123 H104 121.1 . .
C124 C123 H104 121.1 . .
C125 C124 C123 123.2(16) . .
C125 C124 H105 118.4 . .
C123 C124 H105 118.4 . .
C124 C125 C126 119.6(15) . .
C124 C125 H106 120.2 . .
C126 C125 H106 120.2 . .
C125 C126 C121 119.8(16) . .
C125 C126 H107 120.1 . .
C121 C126 H107 120.1 . .
C128 C127 C132 119.8(11) . .
C128 C127 P10 115.1(9) . .
C132 C127 P10 125.1(10) . .
C129 C128 C127 119.9(14) . .
C129 C128 H108 120.1 . .
C127 C128 H108 120.1 . .
C130 C129 C128 120.6(15) . .
C130 C129 H109 119.7 . .
C128 C129 H109 119.7 . .
C131 C130 C129 118.5(16) . .
C131 C130 H110 120.7 . .
C129 C130 H110 120.7 . .
C130 C131 C132 124.6(19) . .
C130 C131 H111 117.7 . .
C132 C131 H111 117.7 . .
C127 C132 C131 114.2(16) . .
C127 C132 H112 122.9 . .
C131 C132 H112 122.9 . .
C134 C133 C138 118.8(13) . .
C134 C133 P11 120.8(10) . .
C138 C133 P11 120.4(10) . .
C135 C134 C133 122.6(13) . .
C135 C134 H113 118.7 . .
C133 C134 H113 118.7 . .
C134 C135 C136 117.1(12) . .
C134 C135 H114 121.5 . .
C136 C135 H114 121.5 . .
C137 C136 C135 121.3(14) . .
C137 C136 H115 119.3 . .
C135 C136 H115 119.3 . .
C138 C137 C136 119.0(14) . .
C138 C137 H116 120.5 . .
C136 C137 H116 120.5 . .
C137 C138 C133 121.2(14) . .
C137 C138 H117 119.4 . .
C133 C138 H117 119.4 . .
C144 C139 C140 119.1(10) . .
C144 C139 P11 123.1(9) . .
C140 C139 P11 117.7(9) . .
C141 C140 C139 119.6(12) . .
C141 C140 H118 120.2 . .
C139 C140 H118 120.2 . .
C142 C141 C140 120.4(13) . .
C142 C141 H119 119.8 . .
C140 C141 H119 119.8 . .
C141 C142 C143 121.1(12) . .
C141 C142 H120 119.5 . .
C143 C142 H120 119.5 . .
C142 C143 C144 121.6(14) . .
C142 C143 H121 119.2 . .
C144 C143 H121 119.2 . .
C139 C144 C143 118.1(13) . .
C139 C144 H122 120.9 . .
C143 C144 H122 120.9 . .
C150 C145 C146 119.7(11) . .
C150 C145 P12 119.2(10) . .
C146 C145 P12 121.1(10) . .
C147 C146 C145 119.5(15) . .
C147 C146 H123 120.3 . .
C145 C146 H123 120.3 . .
C146 C147 C148 121.6(17) . .
C146 C147 H124 119.2 . .
C148 C147 H124 119.2 . .
C149 C148 C147 119.1(14) . .
C149 C148 H125 120.4 . .
C147 C148 H125 120.4 . .
C148 C149 C150 121.3(17) . .
C148 C149 H126 119.3 . .
C150 C149 H126 119.3 . .
C145 C150 C149 118.6(15) . .
C145 C150 H127 120.7 . .
C149 C150 H127 120.7 . .
C152 C151 C156 120.0(11) . .
C152 C151 P12 120.9(9) . .
C156 C151 P12 119.1(8) . .
C151 C152 C153 119.0(13) . .
C151 C152 H128 120.5 . .
C153 C152 H128 120.5 . .
C152 C153 C154 121.3(13) . .
C152 C153 H129 119.3 . .
C154 C153 H129 119.3 . .
C155 C154 C153 118.3(14) . .
C155 C154 H130 120.9 . .
C153 C154 H130 120.9 . .
C154 C155 C156 119.8(14) . .
C154 C155 H131 120.1 . .
C156 C155 H131 120.1 . .
C155 C156 C151 121.5(12) . .
C155 C156 H132 119.2 . .
C151 C156 H132 119.2 . .
N1 C157 C161 121.7(12) . .
N1 C157 C158 130.2(12) . .
C161 C157 C158 108 . .
N1 C157 Fe1 128.3(9) . .
C161 C157 Fe1 68.1(5) . .
C158 C157 Fe1 72.2(6) . .
C159 C158 C157 108 . .
C159 C158 Fe1 70.1(4) . .
C157 C158 Fe1 68.0(5) . .
C159 C158 H133 126 . .
C157 C158 H133 126 . .
Fe1 C158 H133 126 . .
C160 C159 C158 108 . .
C160 C159 Fe1 67.8(5) . .
C158 C159 Fe1 70.5(4) . .
C160 C159 H134 126 . .
C158 C159 H134 126 . .
Fe1 C159 H134 126 . .
C159 C160 C161 108 . .
C159 C160 Fe1 72.3(6) . .
C161 C160 Fe1 68.4(5) . .
C159 C160 H135 126 . .
C161 C160 H135 126 . .
Fe1 C160 H135 126 . .
C157 C161 C160 108 . .
C157 C161 Fe1 71.1(5) . .
C160 C161 Fe1 70.7(4) . .
C157 C161 H136 126 . .
C160 C161 H136 126 . .
Fe1 C161 H136 126 . .
C163 C162 C166 107.9(12) . .
C163 C162 N4 127.5(13) . .
C166 C162 N4 124.0(12) . .
C163 C162 Fe1 70.1(7) . .
C166 C162 Fe1 70.5(8) . .
N4 C162 Fe1 131.5(9) . .
C162 C163 C164 103.8(14) . .
C162 C163 Fe1 69.9(8) . .
C164 C163 Fe1 66.4(8) . .
C162 C163 H137 128.1 . .
C164 C163 H137 128.1 . .
Fe1 C163 H137 128.1 . .
C165 C164 C163 110.7(13) . .
C165 C164 Fe1 73.8(10) . .
C163 C164 Fe1 71.0(7) . .
C165 C164 H138 124.6 . .
C163 C164 H138 124.6 . .
Fe1 C164 H138 124.6 . .
C164 C165 C166 109.2(13) . .
C164 C165 Fe1 68.6(9) . .
C166 C165 Fe1 70.9(9) . .
C164 C165 H139 125.4 . .
C166 C165 H139 125.4 . .
Fe1 C165 H139 125.4 . .
C165 C166 C162 108.3(14) . .
C165 C166 Fe1 69.8(9) . .
C162 C166 Fe1 69.3(8) . .
C165 C166 H140 125.9 . .
C162 C166 H140 125.9 . .
Fe1 C166 H140 125.9 . .
C168 C167 N5 124.0(9) . .
C168 C167 C171 108.9(9) . .
N5 C167 C171 127.1(9) . .
C168 C167 Fe2 70.0(6) . .
N5 C167 Fe2 127.3(8) . .
C171 C167 Fe2 69.2(6) . .
C167 C168 C169 108.7(10) . .
C167 C168 Fe2 70.5(7) . .
C169 C168 Fe2 69.9(7) . .
C167 C168 H141 125.6 . .
C169 C168 H141 125.6 . .
Fe2 C168 H141 125.6 . .
C168 C169 C170 107.0(10) . .
C168 C169 Fe2 70.0(7) . .
C170 C169 Fe2 68.5(7) . .
C168 C169 H142 126.5 . .
C170 C169 H142 126.5 . .
Fe2 C169 H142 126.5 . .
C171 C170 C169 108.5(10) . .
C171 C170 Fe2 70.7(7) . .
C169 C170 Fe2 70.1(7) . .
C171 C170 H143 125.7 . .
C169 C170 H143 125.7 . .
Fe2 C170 H143 125.7 . .
C170 C171 C167 106.9(10) . .
C170 C171 Fe2 69.1(7) . .
C167 C171 Fe2 69.9(6) . .
C170 C171 H144 126.6 . .
C167 C171 H144 126.6 . .
Fe2 C171 H144 126.6 . .
N7 C172 C176 129.0(10) . .
N7 C172 C173 122.3(10) . .
C176 C172 C173 108.7(10) . .
N7 C172 Fe2 127.9(8) . .
C176 C172 Fe2 70.3(6) . .
C173 C172 Fe2 69.8(6) . .
C174 C173 C172 107.0(11) . .
C174 C173 Fe2 69.7(7) . .
C172 C173 Fe2 68.9(6) . .
C174 C173 H145 126.5 . .
C172 C173 H145 126.5 . .
Fe2 C173 H145 126.5 . .
C173 C174 C175 108.4(12) . .
C173 C174 Fe2 69.6(7) . .
C175 C174 Fe2 70.1(8) . .
C173 C174 H146 125.8 . .
C175 C174 H146 125.8 . .
Fe2 C174 H146 125.8 . .
C176 C175 C174 108.6(12) . .
C176 C175 Fe2 69.7(8) . .
C174 C175 Fe2 69.0(8) . .
C176 C175 H147 125.7 . .
C174 C175 H147 125.7 . .
Fe2 C175 H147 125.7 . .
C175 C176 C172 107.3(12) . .
C175 C176 Fe2 70.0(8) . .
C172 C176 Fe2 68.6(6) . .
C175 C176 H148 126.4 . .
C172 C176 H148 126.4 . .
Fe2 C176 H148 126.4 . .
C181 C177 N6 131.5(16) . .
C181 C177 C178 110.8(13) . .
N6 C177 C178 117.7(13) . .
C181 C177 Fe3 69.9(8) . .
N6 C177 Fe3 127.6(8) . .
C178 C177 Fe3 69.1(7) . .
C179 C178 C177 105.1(18) . .
C179 C178 Fe3 69.0(9) . .
C177 C178 Fe3 68.3(8) . .
C179 C178 H149 127.5 . .
C177 C178 H149 127.5 . .
Fe3 C178 H149 127.5 . .
C180 C179 C178 107.3(18) . .
C180 C179 Fe3 68.0(11) . .
C178 C179 Fe3 69.7(8) . .
C180 C179 H150 126.3 . .
C178 C179 H150 126.3 . .
Fe3 C179 H150 126.3 . .
C179 C180 C181 111.2(15) . .
C179 C180 Fe3 71.6(11) . .
C181 C180 Fe3 70.1(9) . .
C179 C180 H151 124.4 . .
C181 C180 H151 124.4 . .
Fe3 C180 H151 124.4 . .
C177 C181 C180 106(2) . .
C177 C181 Fe3 70.8(9) . .
C180 C181 Fe3 67.6(10) . .
C177 C181 H152 127.2 . .
C180 C181 H152 127.2 . .
Fe3 C181 H152 127.2 . .
C186 C182 N10 129.4(10) . .
C186 C182 C183 108.8(11) . .
N10 C182 C183 121.7(11) . .
C186 C182 Fe3 70.0(7) . .
N10 C182 Fe3 127.4(8) . .
C183 C182 Fe3 70.2(7) . .
C182 C183 C184 105.1(14) . .
C182 C183 Fe3 68.5(7) . .
C184 C183 Fe3 68.9(8) . .
C182 C183 H153 127.5 . .
C184 C183 H153 127.5 . .
Fe3 C183 H153 127.5 . .
C185 C184 C183 109.9(12) . .
C185 C184 Fe3 69.9(8) . .
C183 C184 Fe3 69.7(7) . .
C185 C184 H154 125 . .
C183 C184 H154 125 . .
Fe3 C184 H154 125 . .
C184 C185 C186 108.5(13) . .
C184 C185 Fe3 71.1(8) . .
C186 C185 Fe3 69.5(7) . .
C184 C185 H155 125.8 . .
C186 C185 H155 125.8 . .
Fe3 C185 H155 125.8 . .
C182 C186 C185 107.7(13) . .
C182 C186 Fe3 69.9(7) . .
C185 C186 Fe3 69.2(7) . .
C182 C186 H156 126.1 . .
C185 C186 H156 126.1 . .
Fe3 C186 H156 126.1 . .
C191 C187 N8 130.5(11) . .
C191 C187 C188 108.9(10) . .
N8 C187 C188 120.7(10) . .
C191 C187 Fe4 69.9(7) . .
N8 C187 Fe4 126.6(8) . .
C188 C187 Fe4 69.7(6) . .
C187 C188 C189 107.0(11) . .
C187 C188 Fe4 69.3(6) . .
C189 C188 Fe4 69.5(7) . .
C187 C188 H157 126.5 . .
C189 C188 H157 126.5 . .
Fe4 C188 H157 126.5 . .
C190 C189 C188 107.2(10) . .
C190 C189 Fe4 69.8(7) . .
C188 C189 Fe4 69.1(7) . .
C190 C189 H158 126.4 . .
C188 C189 H158 126.4 . .
Fe4 C189 H158 126.4 . .
C191 C190 C189 108.3(11) . .
C191 C190 Fe4 69.2(8) . .
C189 C190 Fe4 69.5(8) . .
C191 C190 H159 125.8 . .
C189 C190 H159 125.8 . .
Fe4 C190 H159 125.8 . .
C187 C191 C190 108.7(12) . .
C187 C191 Fe4 70.0(7) . .
C190 C191 Fe4 70.3(8) . .
C187 C191 H160 125.7 . .
C190 C191 H160 125.7 . .
Fe4 C191 H160 125.7 . .
C193 C192 N11 123.7(11) . .
C193 C192 C196 108.2(11) . .
N11 C192 C196 128.0(11) . .
C193 C192 Fe4 70.0(7) . .
N11 C192 Fe4 128.0(9) . .
C196 C192 Fe4 70.5(7) . .
C192 C193 C194 106.1(12) . .
C192 C193 Fe4 69.6(7) . .
C194 C193 Fe4 69.0(8) . .
C192 C193 H161 126.9 . .
C194 C193 H161 126.9 . .
Fe4 C193 H161 126.9 . .
C195 C194 C193 109.6(11) . .
C195 C194 Fe4 70.2(8) . .
C193 C194 Fe4 69.5(7) . .
C195 C194 H162 125.2 . .
C193 C194 H162 125.2 . .
Fe4 C194 H162 125.2 . .
C194 C195 C196 109.2(12) . .
C194 C195 Fe4 70.5(8) . .
C196 C195 Fe4 71.3(8) . .
C194 C195 H163 125.4 . .
C196 C195 H163 125.4 . .
Fe4 C195 H163 125.4 . .
C195 C196 C192 106.9(12) . .
C195 C196 Fe4 68.5(8) . .
C192 C196 Fe4 68.1(7) . .
C195 C196 H164 126.6 . .
C192 C196 H164 126.6 . .
Fe4 C196 H164 126.6 . .
N9 C197 C198 123(2) . .
N9 C197 C201 130(2) . .
C198 C197 C201 107.1(16) . .
N9 C197 Fe5 128.1(10) . .
C198 C197 Fe5 67.8(10) . .
C201 C197 Fe5 69.1(10) . .
C199 C198 C197 111(2) . .
C199 C198 Fe5 71.3(13) . .
C197 C198 Fe5 71.6(13) . .
C199 C198 H165 124.4 . .
C197 C198 H165 124.4 . .
Fe5 C198 H165 124.4 . .
C200 C199 C198 107(2) . .
C200 C199 Fe5 69.0(13) . .
C198 C199 Fe5 68.8(11) . .
C200 C199 H166 126.4 . .
C198 C199 H166 126.4 . .
Fe5 C199 H166 126.4 . .
C199 C200 C201 111(2) . .
C199 C200 Fe5 71.8(12) . .
C201 C200 Fe5 70.1(9) . .
C199 C200 H167 124.6 . .
C201 C200 H167 124.6 . .
Fe5 C200 H167 124.6 . .
C197 C201 C200 104(2) . .
C197 C201 Fe5 69.9(11) . .
C200 C201 Fe5 67.1(10) . .
C197 C201 H168 128.1 . .
C200 C201 H168 128.1 . .
Fe5 C201 H168 128.1 . .
N2 C202 C203 123.9(12) . .
N2 C202 C206 128.1(12) . .
C203 C202 C206 108 . .
N2 C202 Fe5 128.6(9) . .
C203 C202 Fe5 69.1(5) . .
C206 C202 Fe5 69.1(5) . .
C202 C203 C204 108 . .
C202 C203 Fe5 69.8(5) . .
C204 C203 Fe5 68.8(4) . .
C202 C203 H169 126 . .
C204 C203 H169 126 . .
Fe5 C203 H169 126 . .
C205 C204 C203 108 . .
C205 C204 Fe5 69.3(6) . .
C203 C204 Fe5 69.9(5) . .
C205 C204 H170 126 . .
C203 C204 H170 126 . .
Fe5 C204 H170 126 . .
C206 C205 C204 108 . .
C206 C205 Fe5 69.9(5) . .
C204 C205 Fe5 69.3(6) . .
C206 C205 H171 126 . .
C204 C205 H171 126 . .
Fe5 C205 H171 126 . .
C205 C206 C202 108 . .
C205 C206 Fe5 68.8(4) . .
C202 C206 Fe5 69.8(5) . .
C205 C206 H172 126 . .
C202 C206 H172 126 . .
Fe5 C206 H172 126 . .
C208 C207 N12 128.2(10) . .
C208 C207 C211 110.8(10) . .
N12 C207 C211 121.0(11) . .
C208 C207 Fe6 70.9(7) . .
N12 C207 Fe6 125.0(8) . .
C211 C207 Fe6 70.8(7) . .
C207 C208 C209 104.8(11) . .
C207 C208 Fe6 68.5(7) . .
C209 C208 Fe6 68.3(7) . .
C207 C208 H173 127.6 . .
C209 C208 H173 127.6 . .
Fe6 C208 H173 127.6 . .
C210 C209 C208 109.2(12) . .
C210 C209 Fe6 71.3(8) . .
C208 C209 Fe6 70.0(7) . .
C210 C209 H174 125.4 . .
C208 C209 H174 125.4 . .
Fe6 C209 H174 125.4 . .
C209 C210 C211 109.2(10) . .
C209 C210 Fe6 68.5(7) . .
C211 C210 Fe6 69.7(7) . .
C209 C210 H175 125.4 . .
C211 C210 H175 125.4 . .
Fe6 C210 H175 125.4 . .
C210 C211 C207 106.0(12) . .
C210 C211 Fe6 70.4(8) . .
C207 C211 Fe6 67.8(7) . .
C210 C211 H176 127 . .
C207 C211 H176 127 . .
Fe6 C211 H176 127 . .
C213 C212 C216 108.6(14) . .
C213 C212 N3 131.3(15) . .
C216 C212 N3 120.1(14) . .
C213 C212 Fe6 69.2(8) . .
C216 C212 Fe6 68.8(8) . .
N3 C212 Fe6 128.5(9) . .
C212 C213 C214 110(2) . .
C212 C213 Fe6 72.1(9) . .
C214 C213 Fe6 70.7(12) . .
C212 C213 H177 124.9 . .
C214 C213 H177 124.9 . .
Fe6 C213 H177 124.9 . .
C215 C214 C213 106.4(19) . .
C215 C214 Fe6 69.8(14) . .
C213 C214 Fe6 69.1(10) . .
C215 C214 H178 126.8 . .
C213 C214 H178 126.8 . .
Fe6 C214 H178 126.8 . .
C214 C215 C216 110.8(18) . .
C214 C215 Fe6 72.2(13) . .
C216 C215 Fe6 69.4(9) . .
C214 C215 H179 124.6 . .
C216 C215 H179 124.6 . .
Fe6 C215 H179 124.6 . .
C212 C216 C215 104(2) . .
C212 C216 Fe6 71.3(8) . .
C215 C216 Fe6 68.6(9) . .
C212 C216 H180 127.9 . .
C215 C216 H180 127.9 . .
Fe6 C216 H180 127.9 . .
Cl9 C217 Cl11 109.4(9) . .
Cl9 C217 Cl10 109.9(10) . .
Cl11 C217 Cl10 106.7(10) . .
Cl9 C217 Cl7 108.2(8) . .
Cl11 C217 Cl7 101.9(7) . .
Cl10 C217 Cl7 120.0(8) . .
Cl9 C217 H181 110.2 . .
Cl11 C217 H181 110.2 . .
Cl10 C217 H181 110.2 . .
Cl7 C217 H181 10.7 . .
C217 Cl9 Cl6 161.5(6) . .
C217 Cl10 Cl5 162.6(6) . .
C217 Cl11 Cl8 165.9(7) . .
Cl12 C218 Cl14 109.5(14) . .
Cl12 C218 Cl13 118.8(15) . .
Cl14 C218 Cl13 115.1(17) . .
Cl12 C218 H182 103.8 . .
Cl14 C218 H182 103.8 . .
Cl13 C218 H182 103.8 . .
Cl17 C219 Cl16 115.7(18) . .
Cl17 C219 Cl15 115.8(14) . .
Cl16 C219 Cl15 111.3(13) . .
Cl17 C219 H183 104 . .
Cl16 C219 H183 104 . .
Cl15 C219 H183 104 . .
Cl19 C220 Cl20 110.2(11) . .
Cl19 C220 Cl18 110.8(13) . .
Cl20 C220 Cl18 110.3(16) . .
Cl19 C220 H184 108.5 . .
Cl20 C220 H184 108.5 . .
Cl18 C220 H184 108.5 . .
Cl22 C221 Cl23 116.0(12) . .
Cl22 C221 Cl21 103.6(13) . .
Cl23 C221 Cl21 111.5(11) . .
Cl22 C221 H185 108.5 . .
Cl23 C221 H185 108.5 . .
Cl21 C221 H185 108.5 . .
Cl24 C222 Cl26 111.8(12) . .
Cl24 C222 Cl25 114.1(12) . .
Cl26 C222 Cl25 106.3(11) . .
Cl24 C222 H186 108.2 . .
Cl26 C222 H186 108.2 . .
Cl25 C222 H186 108.2 . .
Cl28 C223 Cl29 113.1(13) . .
Cl28 C223 Cl27 109.7(15) . .
Cl29 C223 Cl27 110.6(12) . .
Cl28 C223 H187 107.7 . .
Cl29 C223 H187 107.7 . .
Cl27 C223 H187 107.7 . .
Cl31 C224 Cl32 112.3(16) . .
Cl31 C224 Cl30 107.8(14) . .
Cl32 C224 Cl30 106.9(15) . .
Cl31 C224 H188 109.9 . .
Cl32 C224 H188 109.9 . .
Cl30 C224 H188 109.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 P3 2.263(3) .
Pt1 P1 2.341(3) .
Pt1 P2 2.344(3) .
Pt1 Cl1 2.350(3) .
Pt2 P4 2.270(2) .
Pt2 P5 2.323(2) .
Pt2 P6 2.339(3) .
Pt2 Cl2 2.364(2) .
Pt3 P7 2.256(2) .
Pt3 P8 2.316(3) .
Pt3 P9 2.337(3) .
Pt3 Cl3 2.358(2) .
Pt4 P11 2.256(3) .
Pt4 P12 2.328(3) .
Pt4 P10 2.337(3) .
Pt4 Cl4 2.364(3) .
Fe1 C164 1.995(14) .
Fe1 C161 1.993(13) .
Fe1 C160 2.024(12) .
Fe1 C157 2.032(11) .
Fe1 C162 2.057(12) .
Fe1 C165 2.059(15) .
Fe1 C163 2.059(15) .
Fe1 C166 2.073(15) .
Fe1 C159 2.082(14) .
Fe1 C158 2.087(15) .
Fe2 C170 2.019(12) .
Fe2 C172 2.039(11) .
Fe2 C171 2.040(10) .
Fe2 C169 2.041(12) .
Fe2 C168 2.042(12) .
Fe2 C167 2.048(11) .
Fe2 C173 2.050(12) .
Fe2 C174 2.050(13) .
Fe2 C176 2.061(12) .
Fe2 C175 2.065(15) .
Fe3 C180 2.006(16) .
Fe3 C185 2.033(14) .
Fe3 C182 2.035(11) .
Fe3 C186 2.037(12) .
Fe3 C181 2.040(16) .
Fe3 C184 2.047(12) .
Fe3 C177 2.052(12) .
Fe3 C179 2.054(16) .
Fe3 C183 2.058(14) .
Fe3 C178 2.063(14) .
Fe4 C195 2.026(13) .
Fe4 C194 2.029(14) .
Fe4 C192 2.030(11) .
Fe4 C193 2.035(12) .
Fe4 C191 2.044(13) .
Fe4 C187 2.045(11) .
Fe4 C188 2.049(12) .
Fe4 C189 2.054(13) .
Fe4 C190 2.058(14) .
Fe4 C196 2.063(14) .
Fe5 C200 2.014(16) .
Fe5 C198 2.02(2) .
Fe5 C204 2.037(12) .
Fe5 C205 2.037(13) .
Fe5 C203 2.052(14) .
Fe5 C206 2.052(15) .
Fe5 C202 2.061(12) .
Fe5 C199 2.05(2) .
Fe5 C201 2.056(19) .
Fe5 C197 2.067(16) .
Fe6 C207 2.015(11) .
Fe6 C215 2.017(17) .
Fe6 C213 2.025(16) .
Fe6 C209 2.025(13) .
Fe6 C216 2.028(15) .
Fe6 C214 2.05(2) .
Fe6 C208 2.047(12) .
Fe6 C211 2.054(14) .
Fe6 C212 2.060(11) .
Fe6 C210 2.062(12) .
P1 C13 1.797(12) .
P1 C19 1.832(10) .
P1 C1 1.913(12) .
P2 C25 1.811(15) .
P2 C31 1.813(8) .
P2 C2 1.881(14) .
P3 C43 1.803(11) .
P3 C37 1.819(10) .
P3 C3 1.887(10) .
P4 C55 1.828(10) .
P4 C49 1.831(10) .
P4 C4 1.890(11) .
P5 C67 1.807(9) .
P5 C61 1.811(10) .
P5 C5 1.889(10) .
P6 C79 1.804(16) .
P6 C73 1.833(9) .
P6 C6 1.892(11) .
P7 C85 1.821(10) .
P7 C91 1.822(11) .
P7 C7 1.873(10) .
P8 C97 1.815(10) .
P8 C103 1.819(11) .
P8 C8 1.885(10) .
P9 C109 1.792(13) .
P9 C115 1.834(11) .
P9 C9 1.866(12) .
P10 C121 1.804(12) .
P10 C127 1.820(11) .
P10 C10 1.911(12) .
P11 C139 1.823(10) .
P11 C133 1.836(13) .
P11 C11 1.935(11) .
P12 C145 1.815(11) .
P12 C151 1.831(12) .
P12 C12 1.874(11) .
C1 O1 1.209(16) .
C1 N1 1.316(17) .
N1 C157 1.422(15) .
N1 H1 0.88 .
C2 O2 1.227(19) .
C2 N2 1.33(2) .
N2 C202 1.357(15) .
N2 H2 0.88 .
C3 O3 1.224(12) .
C3 N3 1.351(14) .
N3 C212 1.438(14) .
N3 H3 0.88 .
C4 O4 1.242(13) .
C4 N4 1.323(15) .
N4 C162 1.424(15) .
N4 H4 0.88 .
C5 O5 1.211(12) .
C5 N5 1.334(13) .
N5 C167 1.407(13) .
N5 H5 0.88 .
C6 O6 1.238(15) .
C6 N6 1.325(17) .
N6 C177 1.421(14) .
N6 H6 0.88 .
C7 O7 1.223(12) .
C7 N7 1.337(13) .
N7 C172 1.407(13) .
N7 H7 0.88 .
C8 O8 1.206(14) .
C8 N8 1.355(14) .
N8 C187 1.404(13) .
N8 H8 0.88 .
C9 O9 1.223(15) .
C9 N9 1.346(16) .
N9 C197 1.393(18) .
N9 H9 0.88 .
C10 O10 1.201(14) .
C10 N10 1.341(14) .
N10 C182 1.436(14) .
N10 H10 0.88 .
C11 O11 1.190(14) .
C11 N11 1.318(13) .
N11 C192 1.408(13) .
N11 H11 0.88 .
C12 O12 1.204(12) .
C12 N12 1.360(12) .
N12 C207 1.438(13) .
N12 H12 0.88 .
C13 C18 1.360(16) .
C13 C14 1.401(16) .
C14 C15 1.398(19) .
C14 H13 0.95 .
C15 C16 1.42(2) .
C15 H14 0.95 .
C16 C17 1.31(2) .
C16 H15 0.95 .
C17 C18 1.440(18) .
C17 H16 0.95 .
C18 H17 0.95 .
C19 C20 1.378(15) .
C19 C24 1.387(15) .
C20 C21 1.389(17) .
C20 H18 0.95 .
C21 C22 1.36(2) .
C21 H19 0.95 .
C22 C23 1.391(19) .
C22 H20 0.95 .
C23 C24 1.370(15) .
C23 H21 0.95 .
C24 H22 0.95 .
C25 C26 1.38(2) .
C25 C30 1.38(2) .
C26 C27 1.39(3) .
C26 H23 0.95 .
C27 C28 1.35(3) .
C27 H24 0.95 .
C28 C29 1.28(4) .
C28 H25 0.95 .
C29 C30 1.41(3) .
C29 H26 0.95 .
C30 H27 0.95 .
C31 C32 1.39 .
C31 C36 1.39 .
C32 C33 1.39 .
C32 H28 0.95 .
C33 C34 1.39 .
C33 H29 0.95 .
C34 C35 1.39 .
C34 H30 0.95 .
C35 C36 1.39 .
C35 H31 0.95 .
C36 H32 0.95 .
C37 C42 1.391(17) .
C37 C38 1.394(17) .
C38 C39 1.378(17) .
C38 H33 0.95 .
C39 C40 1.34(2) .
C39 H34 0.95 .
C40 C41 1.37(2) .
C40 H35 0.95 .
C41 C42 1.423(18) .
C41 H36 0.95 .
C42 H37 0.95 .
C43 C48 1.348(17) .
C43 C44 1.417(18) .
C44 C45 1.39(2) .
C44 H38 0.95 .
C45 C46 1.33(3) .
C45 H39 0.95 .
C46 C47 1.37(3) .
C46 H40 0.95 .
C47 C48 1.40(2) .
C47 H41 0.95 .
C48 H42 0.95 .
C49 C54 1.371(15) .
C49 C50 1.382(16) .
C50 C51 1.391(19) .
C50 H43 0.95 .
C51 C52 1.37(2) .
C51 H44 0.95 .
C52 C53 1.35(2) .
C52 H45 0.95 .
C53 C54 1.368(16) .
C53 H46 0.95 .
C54 H47 0.95 .
C55 C56 1.356(18) .
C55 C60 1.385(16) .
C56 C57 1.38(2) .
C56 H48 0.95 .
C57 C58 1.36(3) .
C57 H49 0.95 .
C58 C59 1.40(3) .
C58 H50 0.95 .
C59 C60 1.412(18) .
C59 H51 0.95 .
C60 H52 0.95 .
C61 C66 1.383(16) .
C61 C62 1.424(15) .
C62 C63 1.370(18) .
C62 H53 0.95 .
C63 C64 1.35(2) .
C63 H54 0.95 .
C64 C65 1.31(2) .
C64 H55 0.95 .
C65 C66 1.411(18) .
C65 H56 0.95 .
C66 H57 0.95 .
C67 C72 1.402(15) .
C67 C68 1.403(14) .
C68 C69 1.382(16) .
C68 H58 0.95 .
C69 C70 1.371(19) .
C69 H59 0.95 .
C70 C71 1.360(18) .
C70 H60 0.95 .
C71 C72 1.396(15) .
C71 H61 0.95 .
C72 H62 0.95 .
C73 C74 1.39 .
C73 C78 1.39 .
C74 C75 1.39 .
C74 H63 0.95 .
C75 C76 1.39 .
C75 H64 0.95 .
C76 C77 1.39 .
C76 H65 0.95 .
C77 C78 1.39 .
C77 H66 0.95 .
C78 H67 0.95 .
C79 C80 1.34(2) .
C79 C84 1.41(2) .
C80 C81 1.51(2) .
C80 H68 0.95 .
C81 C82 1.27(2) .
C81 H69 0.95 .
C82 C83 1.39(2) .
C82 H70 0.95 .
C83 C84 1.34(2) .
C83 H71 0.95 .
C84 H72 0.95 .
C85 C90 1.371(16) .
C85 C86 1.376(15) .
C86 C87 1.370(17) .
C86 H73 0.95 .
C87 C88 1.41(2) .
C87 H74 0.95 .
C88 C89 1.41(2) .
C88 H75 0.95 .
C89 C90 1.392(16) .
C89 H76 0.95 .
C90 H77 0.95 .
C91 C96 1.380(16) .
C91 C92 1.430(15) .
C92 C93 1.382(19) .
C92 H78 0.95 .
C93 C94 1.29(2) .
C93 H79 0.95 .
C94 C95 1.40(2) .
C94 H80 0.95 .
C95 C96 1.407(17) .
C95 H81 0.95 .
C96 H82 0.95 .
C97 C98 1.394(15) .
C97 C102 1.401(14) .
C98 C99 1.370(16) .
C98 H83 0.95 .
C99 C100 1.393(18) .
C99 H84 0.95 .
C100 C101 1.363(19) .
C100 H85 0.95 .
C101 C102 1.388(16) .
C101 H86 0.95 .
C102 H87 0.95 .
C103 C108 1.373(16) .
C103 C104 1.383(18) .
C104 C105 1.409(17) .
C104 H88 0.95 .
C105 C106 1.44(2) .
C105 H89 0.95 .
C106 C107 1.29(2) .
C106 H90 0.95 .
C107 C108 1.399(17) .
C107 H91 0.95 .
C108 H92 0.95 .
C109 C110 1.40(2) .
C109 C114 1.41(2) .
C110 C111 1.397(18) .
C110 H93 0.95 .
C111 C112 1.41(2) .
C111 H94 0.95 .
C112 C113 1.34(2) .
C112 H95 0.95 .
C113 C114 1.429(19) .
C113 H96 0.95 .
C114 H97 0.95 .
C115 C120 1.361(16) .
C115 C116 1.400(16) .
C116 C117 1.355(15) .
C116 H98 0.95 .
C117 C118 1.39(2) .
C117 H99 0.95 .
C118 C119 1.32(2) .
C118 H100 0.95 .
C119 C120 1.418(18) .
C119 H101 0.95 .
C120 H102 0.95 .
C121 C122 1.378(19) .
C121 C126 1.423(17) .
C122 C123 1.377(18) .
C122 H103 0.95 .
C123 C124 1.40(2) .
C123 H104 0.95 .
C124 C125 1.31(3) .
C124 H105 0.95 .
C125 C126 1.40(2) .
C125 H106 0.95 .
C126 H107 0.95 .
C127 C128 1.398(18) .
C127 C132 1.42(2) .
C128 C129 1.390(16) .
C128 H108 0.95 .
C129 C130 1.37(3) .
C129 H109 0.95 .
C130 C131 1.31(3) .
C130 H110 0.95 .
C131 C132 1.43(2) .
C131 H111 0.95 .
C132 H112 0.95 .
C133 C134 1.374(16) .
C133 C138 1.381(18) .
C134 C135 1.358(18) .
C134 H113 0.95 .
C135 C136 1.40(2) .
C135 H114 0.95 .
C136 C137 1.39(2) .
C136 H115 0.95 .
C137 C138 1.35(2) .
C137 H116 0.95 .
C138 H117 0.95 .
C139 C144 1.389(17) .
C139 C140 1.408(16) .
C140 C141 1.382(16) .
C140 H118 0.95 .
C141 C142 1.34(2) .
C141 H119 0.95 .
C142 C143 1.34(2) .
C142 H120 0.95 .
C143 C144 1.392(18) .
C143 H121 0.95 .
C144 H122 0.95 .
C145 C150 1.373(18) .
C145 C146 1.400(17) .
C146 C147 1.352(18) .
C146 H123 0.95 .
C147 C148 1.37(2) .
C147 H124 0.95 .
C148 C149 1.36(2) .
C148 H125 0.95 .
C149 C150 1.395(18) .
C149 H126 0.95 .
C150 H127 0.95 .
C151 C152 1.377(16) .
C151 C156 1.397(16) .
C152 C153 1.40(2) .
C152 H128 0.95 .
C153 C154 1.42(2) .
C153 H129 0.95 .
C154 C155 1.39(2) .
C154 H130 0.95 .
C155 C156 1.391(17) .
C155 H131 0.95 .
C156 H132 0.95 .
C157 C161 1.403(10) .
C157 C158 1.403(10) .
C158 C159 1.403(10) .
C158 H133 1 .
C159 C160 1.403(10) .
C159 H134 1 .
C160 C161 1.403(10) .
C160 H135 1 .
C161 H136 1 .
C162 C163 1.408(19) .
C162 C166 1.420(19) .
C163 C164 1.473(19) .
C163 H137 1 .
C164 C165 1.31(2) .
C164 H138 1 .
C165 C166 1.39(2) .
C165 H139 1 .
C166 H140 1 .
C167 C168 1.382(15) .
C167 C171 1.428(14) .
C168 C169 1.401(16) .
C168 H141 1 .
C169 C170 1.434(17) .
C169 H142 1 .
C170 C171 1.393(16) .
C170 H143 1 .
C171 H144 1 .
C172 C176 1.439(16) .
C172 C173 1.442(16) .
C173 C174 1.426(18) .
C173 H145 1 .
C174 C175 1.44(2) .
C174 H146 1 .
C175 C176 1.420(19) .
C175 H147 1 .
C176 H148 1 .
C177 C181 1.37(2) .
C177 C178 1.49(2) .
C178 C179 1.45(2) .
C178 H149 1 .
C179 C180 1.40(3) .
C179 H150 1 .
C180 C181 1.46(3) .
C180 H151 1 .
C181 H152 1 .
C182 C186 1.398(18) .
C182 C183 1.442(18) .
C183 C184 1.449(19) .
C183 H153 1 .
C184 C185 1.36(2) .
C184 H154 1 .
C185 C186 1.437(17) .
C185 H155 1 .
C186 H156 1 .
C187 C191 1.401(17) .
C187 C188 1.433(16) .
C188 C189 1.450(17) .
C188 H157 1 .
C189 C190 1.43(2) .
C189 H158 1 .
C190 C191 1.420(17) .
C190 H159 1 .
C191 H160 1 .
C192 C193 1.403(16) .
C192 C196 1.444(17) .
C193 C194 1.440(17) .
C193 H161 1 .
C194 C195 1.36(2) .
C194 H162 1 .
C195 C196 1.403(18) .
C195 H163 1 .
C196 H164 1 .
C197 C198 1.42(3) .
C197 C201 1.44(3) .
C198 C199 1.39(2) .
C198 H165 1 .
C199 C200 1.36(3) .
C199 H166 1 .
C200 C201 1.48(2) .
C200 H167 1 .
C201 H168 1 .
C202 C203 1.443(10) .
C202 C206 1.443(10) .
C203 C204 1.443(10) .
C203 H169 1 .
C204 C205 1.443(10) .
C204 H170 1 .
C205 C206 1.443(10) .
C205 H171 1 .
C206 H172 1 .
C207 C208 1.408(17) .
C207 C211 1.439(15) .
C208 C209 1.450(16) .
C208 H173 1 .
C209 C210 1.40(2) .
C209 H174 1 .
C210 C211 1.405(19) .
C210 H175 1 .
C211 H176 1 .
C212 C213 1.35(2) .
C212 C216 1.40(2) .
C213 C214 1.40(3) .
C213 H177 1 .
C214 C215 1.32(3) .
C214 H178 1 .
C215 C216 1.45(3) .
C215 H179 1 .
C216 H180 1 .
Cl5 Cl10 3.202(7) .
Cl6 Cl9 3.308(6) .
Cl7 C217 3.574(19) .
Cl8 Cl11 3.110(6) .
C217 Cl9 1.696(18) .
C217 Cl11 1.769(17) .
C217 Cl10 1.784(18) .
C217 H181 1 .
C218 Cl12 1.619(17) .
C218 Cl14 1.619(17) .
C218 Cl13 1.64(3) .
C218 H182 1 .
C219 Cl17 1.63(2) .
C219 Cl16 1.72(2) .
C219 Cl15 1.75(3) .
C219 H183 1 .
C220 Cl19 1.73(3) .
C220 Cl20 1.75(2) .
C220 Cl18 1.76(2) .
C220 H184 1 .
C221 Cl22 1.72(2) .
C221 Cl23 1.76(2) .
C221 Cl21 1.81(3) .
C221 H185 1 .
C222 Cl24 1.666(19) .
C222 Cl26 1.74(2) .
C222 Cl25 1.79(2) .
C222 H186 1 .
C223 Cl28 1.70(3) .
C223 Cl29 1.70(3) .
C223 Cl27 1.74(2) .
C223 H187 1 .
C224 Cl31 1.61(2) .
C224 Cl32 1.71(3) .
C224 Cl30 1.81(3) .
C224 H188 1 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1 Cl5 0.88 2.37 3.221(13) 164.1 .
N2 H2 Cl5 0.88 2.28 3.147(14) 169.3 .
N3 H3 Cl5 0.88 2.27 3.127(10) 165.5 .
N4 H4 Cl6 0.88 2.27 3.138(11) 166.8 .
N5 H5 Cl6 0.88 2.36 3.224(8) 166.9 .
N6 H6 Cl6 0.88 2.27 3.141(10) 169.9 .
N7 H7 Cl7 0.88 2.33 3.165(9) 158.3 .
N8 H8 Cl7 0.88 2.49 3.339(9) 163.3 .
N9 H9 Cl7 0.88 2.37 3.240(13) 172.7 .
N10 H10 Cl8 0.88 2.33 3.207(10) 175.4 .
N11 H11 Cl8 0.88 2.27 3.120(10) 163.6 .
N12 H12 Cl8 0.88 2.35 3.205(9) 165.3 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1 C1 N1 C157 2(2) . . . .
P1 C1 N1 C157 -174.0(9) . . . .
C25 P2 C2 O2 21.4(14) . . . .
C31 P2 C2 O2 -88.1(13) . . . .
Pt1 P2 C2 O2 145.9(11) . . . .
C25 P2 C2 N2 -164.8(9) . . . .
C31 P2 C2 N2 85.7(10) . . . .
Pt1 P2 C2 N2 -40.2(11) . . . .
O2 C2 N2 C202 -2(2) . . . .
P2 C2 N2 C202 -175.9(9) . . . .
C43 P3 C3 O3 -77.6(11) . . . .
C37 P3 C3 O3 29.2(11) . . . .
Pt1 P3 C3 O3 151.2(9) . . . .
C43 P3 C3 N3 97.9(9) . . . .
C37 P3 C3 N3 -155.3(9) . . . .
Pt1 P3 C3 N3 -33.3(10) . . . .
O3 C3 N3 C212 -4.4(19) . . . .
P3 C3 N3 C212 -179.5(8) . . . .
C55 P4 C4 O4 71.2(9) . . . .
C49 P4 C4 O4 -35.5(10) . . . .
Pt2 P4 C4 O4 -157.7(7) . . . .
C55 P4 C4 N4 -105.5(9) . . . .
C49 P4 C4 N4 147.8(8) . . . .
Pt2 P4 C4 N4 25.6(9) . . . .
O4 C4 N4 C162 7.0(18) . . . .
P4 C4 N4 C162 -176.6(9) . . . .
C67 P5 C5 O5 -22.5(10) . . . .
C61 P5 C5 O5 84.1(9) . . . .
Pt2 P5 C5 O5 -145.0(8) . . . .
C67 P5 C5 N5 163.6(8) . . . .
C61 P5 C5 N5 -89.8(9) . . . .
Pt2 P5 C5 N5 41.1(9) . . . .
O5 C5 N5 C167 -6.9(18) . . . .
P5 C5 N5 C167 166.5(9) . . . .
C79 P6 C6 O6 92.9(12) . . . .
C73 P6 C6 O6 -14.8(12) . . . .
Pt2 P6 C6 O6 -139.5(9) . . . .
C79 P6 C6 N6 -83.2(10) . . . .
C73 P6 C6 N6 169.1(8) . . . .
Pt2 P6 C6 N6 44.4(10) . . . .
O6 C6 N6 C177 0(2) . . . .
P6 C6 N6 C177 175.3(9) . . . .
C85 P7 C7 O7 28.8(10) . . . .
C91 P7 C7 O7 -77.4(9) . . . .
Pt3 P7 C7 O7 153.4(8) . . . .
C85 P7 C7 N7 -156.0(8) . . . .
C91 P7 C7 N7 97.8(8) . . . .
Pt3 P7 C7 N7 -31.4(9) . . . .
O7 C7 N7 C172 3.4(17) . . . .
P7 C7 N7 C172 -171.5(8) . . . .
C97 P8 C8 O8 -77.8(10) . . . .
C103 P8 C8 O8 29.2(11) . . . .
Pt3 P8 C8 O8 150.5(9) . . . .
C97 P8 C8 N8 96.4(8) . . . .
C103 P8 C8 N8 -156.5(8) . . . .
Pt3 P8 C8 N8 -35.2(9) . . . .
O8 C8 N8 C187 -0.8(17) . . . .
P8 C8 N8 C187 -174.6(8) . . . .
C109 P9 C9 O9 11.7(12) . . . .
C115 P9 C9 O9 -97.3(10) . . . .
Pt3 P9 C9 O9 132.9(9) . . . .
C109 P9 C9 N9 -173.8(9) . . . .
C115 P9 C9 N9 77.2(9) . . . .
Pt3 P9 C9 N9 -52.7(9) . . . .
O9 C9 N9 C197 4.6(19) . . . .
P9 C9 N9 C197 -169.8(10) . . . .
O10 C10 N10 C182 -3.7(19) . . . .
P10 C10 N10 C182 169.4(8) . . . .
O11 C11 N11 C192 2(2) . . . .
P11 C11 N11 C192 175.1(9) . . . .
C145 P12 C12 O12 -20.8(10) . . . .
C151 P12 C12 O12 86.0(9) . . . .
Pt4 P12 C12 O12 -143.3(8) . . . .
C145 P12 C12 N12 167.3(8) . . . .
C151 P12 C12 N12 -85.8(8) . . . .
Pt4 P12 C12 N12 44.9(8) . . . .
O12 C12 N12 C207 -0.7(17) . . . .
P12 C12 N12 C207 170.6(8) . . . .
C19 P1 C13 C18 -143.7(10) . . . .
C1 P1 C13 C18 112.5(10) . . . .
Pt1 P1 C13 C18 -8.8(11) . . . .
C19 P1 C13 C14 40.9(10) . . . .
C1 P1 C13 C14 -63.0(9) . . . .
Pt1 P1 C13 C14 175.7(7) . . . .
C18 C13 C14 C15 -0.4(17) . . . .
P1 C13 C14 C15 175.2(9) . . . .
C13 C14 C15 C16 -0.6(19) . . . .
C14 C15 C16 C17 1(2) . . . .
C15 C16 C17 C18 0(2) . . . .
C14 C13 C18 C17 1.4(18) . . . .
P1 C13 C18 C17 -174.0(10) . . . .
C16 C17 C18 C13 -1(2) . . . .
C13 P1 C19 C20 -129.5(10) . . . .
C1 P1 C19 C20 -26.1(12) . . . .
Pt1 P1 C19 C20 101.5(10) . . . .
C13 P1 C19 C24 48.6(10) . . . .
C1 P1 C19 C24 151.9(10) . . . .
Pt1 P1 C19 C24 -80.5(10) . . . .
C24 C19 C20 C21 0.8(19) . . . .
P1 C19 C20 C21 178.9(10) . . . .
C19 C20 C21 C22 0(2) . . . .
C20 C21 C22 C23 -2(2) . . . .
C21 C22 C23 C24 2(2) . . . .
C22 C23 C24 C19 -0.8(18) . . . .
C20 C19 C24 C23 -0.7(18) . . . .
P1 C19 C24 C23 -178.8(9) . . . .
C31 P2 C25 C26 -72.1(13) . . . .
C2 P2 C25 C26 -176.3(11) . . . .
Pt1 P2 C25 C26 52.0(13) . . . .
C31 P2 C25 C30 116.0(17) . . . .
C2 P2 C25 C30 11.8(18) . . . .
Pt1 P2 C25 C30 -119.8(16) . . . .
C30 C25 C26 C27 -6(3) . . . .
P2 C25 C26 C27 -178.9(14) . . . .
C25 C26 C27 C28 2(3) . . . .
C26 C27 C28 C29 6(5) . . . .
C27 C28 C29 C30 -10(6) . . . .
C26 C25 C30 C29 3(3) . . . .
P2 C25 C30 C29 175(2) . . . .
C28 C29 C30 C25 5(5) . . . .
C25 P2 C31 C32 -12.4(9) . . . .
C2 P2 C31 C32 99.0(8) . . . .
Pt1 P2 C31 C32 -131.7(6) . . . .
C25 P2 C31 C36 172.1(7) . . . .
C2 P2 C31 C36 -76.5(9) . . . .
Pt1 P2 C31 C36 52.9(7) . . . .
C36 C31 C32 C33 0 . . . .
P2 C31 C32 C33 -175.4(9) . . . .
C31 C32 C33 C34 0 . . . .
C32 C33 C34 C35 0 . . . .
C33 C34 C35 C36 0 . . . .
C34 C35 C36 C31 0 . . . .
C32 C31 C36 C35 0 . . . .
P2 C31 C36 C35 175.6(9) . . . .
C43 P3 C37 C42 -114.5(9) . . . .
C3 P3 C37 C42 143.2(9) . . . .
Pt1 P3 C37 C42 19.8(10) . . . .
C43 P3 C37 C38 62.5(11) . . . .
C3 P3 C37 C38 -39.8(11) . . . .
Pt1 P3 C37 C38 -163.2(9) . . . .
C42 C37 C38 C39 -4.0(19) . . . .
P3 C37 C38 C39 179.1(10) . . . .
C37 C38 C39 C40 4(2) . . . .
C38 C39 C40 C41 0(2) . . . .
C39 C40 C41 C42 -3(2) . . . .
C38 C37 C42 C41 0.8(18) . . . .
P3 C37 C42 C41 177.7(10) . . . .
C40 C41 C42 C37 3(2) . . . .
C37 P3 C43 C48 -144.9(10) . . . .
C3 P3 C43 C48 -36.2(11) . . . .
Pt1 P3 C43 C48 88.1(10) . . . .
C37 P3 C43 C44 33.2(12) . . . .
C3 P3 C43 C44 141.8(11) . . . .
Pt1 P3 C43 C44 -93.8(10) . . . .
C48 C43 C44 C45 3(2) . . . .
P3 C43 C44 C45 -175.4(12) . . . .
C43 C44 C45 C46 -5(3) . . . .
C44 C45 C46 C47 5(3) . . . .
C45 C46 C47 C48 -2(3) . . . .
C44 C43 C48 C47 -0.4(18) . . . .
P3 C43 C48 C47 177.7(10) . . . .
C46 C47 C48 C43 0(2) . . . .
C55 P4 C49 C54 -77.7(10) . . . .
C4 P4 C49 C54 25.5(11) . . . .
Pt2 P4 C49 C54 152.1(9) . . . .
C55 P4 C49 C50 104.8(11) . . . .
C4 P4 C49 C50 -152.0(11) . . . .
Pt2 P4 C49 C50 -25.5(11) . . . .
C54 C49 C50 C51 -2(2) . . . .
P4 C49 C50 C51 175.9(14) . . . .
C49 C50 C51 C52 -3(3) . . . .
C50 C51 C52 C53 7(3) . . . .
C51 C52 C53 C54 -6(3) . . . .
C52 C53 C54 C49 1(2) . . . .
C50 C49 C54 C53 2.4(19) . . . .
P4 C49 C54 C53 -175.1(10) . . . .
C49 P4 C55 C56 -26.9(11) . . . .
C4 P4 C55 C56 -134.9(11) . . . .
Pt2 P4 C55 C56 96.5(10) . . . .
C49 P4 C55 C60 151.2(9) . . . .
C4 P4 C55 C60 43.2(10) . . . .
Pt2 P4 C55 C60 -85.4(9) . . . .
C60 C55 C56 C57 -1(2) . . . .
P4 C55 C56 C57 177.5(12) . . . .
C55 C56 C57 C58 5(3) . . . .
C56 C57 C58 C59 -3(3) . . . .
C57 C58 C59 C60 -2(3) . . . .
C56 C55 C60 C59 -5.0(19) . . . .
P4 C55 C60 C59 176.9(11) . . . .
C58 C59 C60 C55 6(2) . . . .
C67 P5 C61 C66 142.6(8) . . . .
C5 P5 C61 C66 36.0(9) . . . .
Pt2 P5 C61 C66 -87.2(9) . . . .
C67 P5 C61 C62 -37.7(9) . . . .
C5 P5 C61 C62 -144.4(8) . . . .
Pt2 P5 C61 C62 92.5(8) . . . .
C66 C61 C62 C63 -0.6(15) . . . .
P5 C61 C62 C63 179.7(8) . . . .
C61 C62 C63 C64 0.7(18) . . . .
C62 C63 C64 C65 -1(2) . . . .
C63 C64 C65 C66 0.4(19) . . . .
C62 C61 C66 C65 0.5(15) . . . .
P5 C61 C66 C65 -179.9(8) . . . .
C64 C65 C66 C61 -0.4(18) . . . .
C61 P5 C67 C72 146.4(9) . . . .
C5 P5 C67 C72 -110.8(9) . . . .
Pt2 P5 C67 C72 10.6(10) . . . .
C61 P5 C67 C68 -36.0(10) . . . .
C5 P5 C67 C68 66.9(10) . . . .
Pt2 P5 C67 C68 -171.7(8) . . . .
C72 C67 C68 C69 -3.0(17) . . . .
P5 C67 C68 C69 179.2(10) . . . .
C67 C68 C69 C70 1(2) . . . .
C68 C69 C70 C71 0(2) . . . .
C69 C70 C71 C72 1(2) . . . .
C70 C71 C72 C67 -2.6(18) . . . .
C68 C67 C72 C71 3.8(16) . . . .
P5 C67 C72 C71 -178.5(9) . . . .
C79 P6 C73 C74 67.0(9) . . . .
C6 P6 C73 C74 169.6(7) . . . .
Pt2 P6 C73 C74 -58.1(7) . . . .
C79 P6 C73 C78 -119.9(10) . . . .
C6 P6 C73 C78 -17.3(9) . . . .
Pt2 P6 C73 C78 115.0(8) . . . .
C78 C73 C74 C75 0 . . . .
P6 C73 C74 C75 173.6(9) . . . .
C73 C74 C75 C76 0 . . . .
C74 C75 C76 C77 0 . . . .
C75 C76 C77 C78 0 . . . .
C76 C77 C78 C73 0 . . . .
C74 C73 C78 C77 0 . . . .
P6 C73 C78 C77 -172.8(10) . . . .
C73 P6 C79 C80 11.9(18) . . . .
C6 P6 C79 C80 -100.1(17) . . . .
Pt2 P6 C79 C80 130.1(15) . . . .
C73 P6 C79 C84 -169.5(15) . . . .
C6 P6 C79 C84 78.6(16) . . . .
Pt2 P6 C79 C84 -51.3(17) . . . .
C84 C79 C80 C81 1(3) . . . .
P6 C79 C80 C81 179.8(13) . . . .
C79 C80 C81 C82 -1(3) . . . .
C80 C81 C82 C83 -1(3) . . . .
C81 C82 C83 C84 4(3) . . . .
C82 C83 C84 C79 -4(3) . . . .
C80 C79 C84 C83 2(3) . . . .
P6 C79 C84 C83 -177.1(15) . . . .
C91 P7 C85 C90 -111.8(10) . . . .
C7 P7 C85 C90 147.0(10) . . . .
Pt3 P7 C85 C90 21.7(11) . . . .
C91 P7 C85 C86 66.3(12) . . . .
C7 P7 C85 C86 -34.9(12) . . . .
Pt3 P7 C85 C86 -160.2(10) . . . .
C90 C85 C86 C87 -2(2) . . . .
P7 C85 C86 C87 179.5(11) . . . .
C85 C86 C87 C88 1(2) . . . .
C86 C87 C88 C89 0(2) . . . .
C87 C88 C89 C90 0(2) . . . .
C86 C85 C90 C89 2(2) . . . .
P7 C85 C90 C89 -179.7(11) . . . .
C88 C89 C90 C85 -1(2) . . . .
C85 P7 C91 C96 -160.1(9) . . . .
C7 P7 C91 C96 -50.1(9) . . . .
Pt3 P7 C91 C96 72.6(9) . . . .
C85 P7 C91 C92 18.4(11) . . . .
C7 P7 C91 C92 128.5(10) . . . .
Pt3 P7 C91 C92 -108.8(9) . . . .
C96 C91 C92 C93 0.0(18) . . . .
P7 C91 C92 C93 -178.6(10) . . . .
C91 C92 C93 C94 2(2) . . . .
C92 C93 C94 C95 -3(3) . . . .
C93 C94 C95 C96 1(2) . . . .
C92 C91 C96 C95 -1.0(17) . . . .
P7 C91 C96 C95 177.6(9) . . . .
C94 C95 C96 C91 0.4(18) . . . .
C103 P8 C97 C98 -139.9(9) . . . .
C8 P8 C97 C98 -34.4(10) . . . .
Pt3 P8 C97 C98 90.7(9) . . . .
C103 P8 C97 C102 43.1(10) . . . .
C8 P8 C97 C102 148.6(9) . . . .
Pt3 P8 C97 C102 -86.3(9) . . . .
C102 C97 C98 C99 0.4(17) . . . .
P8 C97 C98 C99 -176.6(10) . . . .
C97 C98 C99 C100 -1(2) . . . .
C98 C99 C100 C101 2(2) . . . .
C99 C100 C101 C102 -1(2) . . . .
C100 C101 C102 C97 0.6(19) . . . .
C98 C97 C102 C101 -0.1(16) . . . .
P8 C97 C102 C101 177.0(9) . . . .
C97 P8 C103 C108 -136.1(9) . . . .
C8 P8 C103 C108 120.7(9) . . . .
Pt3 P8 C103 C108 -0.8(10) . . . .
C97 P8 C103 C104 45.3(9) . . . .
C8 P8 C103 C104 -57.9(9) . . . .
Pt3 P8 C103 C104 -179.5(7) . . . .
C108 C103 C104 C105 -0.5(16) . . . .
P8 C103 C104 C105 178.2(9) . . . .
C103 C104 C105 C106 -0.5(18) . . . .
C104 C105 C106 C107 2(2) . . . .
C105 C106 C107 C108 -2(2) . . . .
C104 C103 C108 C107 0.2(17) . . . .
P8 C103 C108 C107 -178.4(9) . . . .
C106 C107 C108 C103 1(2) . . . .
C115 P9 C109 C110 -60.7(13) . . . .
C9 P9 C109 C110 -162.0(11) . . . .
Pt3 P9 C109 C110 65.4(12) . . . .
C115 P9 C109 C114 132.9(13) . . . .
C9 P9 C109 C114 31.6(15) . . . .
Pt3 P9 C109 C114 -101.0(13) . . . .
C114 C109 C110 C111 0(2) . . . .
P9 C109 C110 C111 -166.6(11) . . . .
C109 C110 C111 C112 0(2) . . . .
C110 C111 C112 C113 -1(2) . . . .
C111 C112 C113 C114 2(2) . . . .
C110 C109 C114 C113 1(2) . . . .
P9 C109 C114 C113 166.4(11) . . . .
C112 C113 C114 C109 -2(2) . . . .
C109 P9 C115 C120 -29.4(12) . . . .
C9 P9 C115 C120 79.8(11) . . . .
Pt3 P9 C115 C120 -146.7(9) . . . .
C109 P9 C115 C116 160.5(10) . . . .
C9 P9 C115 C116 -90.3(10) . . . .
Pt3 P9 C115 C116 43.2(11) . . . .
C120 C115 C116 C117 4.6(18) . . . .
P9 C115 C116 C117 174.7(9) . . . .
C115 C116 C117 C118 -4.8(18) . . . .
C116 C117 C118 C119 4(2) . . . .
C117 C118 C119 C120 -2(2) . . . .
C116 C115 C120 C119 -3.1(18) . . . .
P9 C115 C120 C119 -173.2(10) . . . .
C118 C119 C120 C115 2(2) . . . .
C127 P10 C121 C122 -163.6(10) . . . .
C10 P10 C121 C122 85.8(11) . . . .
Pt4 P10 C121 C122 -44.2(11) . . . .
C127 P10 C121 C126 21.7(11) . . . .
C10 P10 C121 C126 -88.9(10) . . . .
Pt4 P10 C121 C126 141.0(9) . . . .
C126 C121 C122 C123 -1.3(19) . . . .
P10 C121 C122 C123 -176.2(10) . . . .
C121 C122 C123 C124 1(2) . . . .
C122 C123 C124 C125 0(2) . . . .
C123 C124 C125 C126 1(2) . . . .
C124 C125 C126 C121 -2(2) . . . .
C122 C121 C126 C125 1.9(18) . . . .
P10 C121 C126 C125 176.9(10) . . . .
C121 P10 C127 C128 74.1(11) . . . .
C10 P10 C127 C128 175.4(10) . . . .
Pt4 P10 C127 C128 -50.4(11) . . . .
C121 P10 C127 C132 -107.5(17) . . . .
C10 P10 C127 C132 -6.1(18) . . . .
Pt4 P10 C127 C132 128.0(16) . . . .
C132 C127 C128 C129 4(2) . . . .
P10 C127 C128 C129 -177.1(11) . . . .
C127 C128 C129 C130 -3(2) . . . .
C128 C129 C130 C131 9(4) . . . .
C129 C130 C131 C132 -17(5) . . . .
C128 C127 C132 C131 -11(3) . . . .
P10 C127 C132 C131 170.5(19) . . . .
C130 C131 C132 C127 18(5) . . . .
C139 P11 C133 C134 145.7(10) . . . .
C11 P11 C133 C134 37.6(11) . . . .
Pt4 P11 C133 C134 -90.1(11) . . . .
C139 P11 C133 C138 -34.0(14) . . . .
C11 P11 C133 C138 -142.1(13) . . . .
Pt4 P11 C133 C138 90.2(13) . . . .
C138 C133 C134 C135 1(2) . . . .
P11 C133 C134 C135 -178.3(11) . . . .
C133 C134 C135 C136 -3(2) . . . .
C134 C135 C136 C137 4(3) . . . .
C135 C136 C137 C138 -3(3) . . . .
C136 C137 C138 C133 1(3) . . . .
C134 C133 C138 C137 0(3) . . . .
P11 C133 C138 C137 179.4(16) . . . .
C133 P11 C139 C144 -71.5(11) . . . .
C11 P11 C139 C144 30.4(12) . . . .
Pt4 P11 C139 C144 157.7(10) . . . .
C133 P11 C139 C140 112.7(10) . . . .
C11 P11 C139 C140 -145.4(9) . . . .
Pt4 P11 C139 C140 -18.1(10) . . . .
C144 C139 C140 C141 -3.4(18) . . . .
P11 C139 C140 C141 172.6(9) . . . .
C139 C140 C141 C142 2.3(19) . . . .
C140 C141 C142 C143 1(2) . . . .
C141 C142 C143 C144 -4(2) . . . .
C140 C139 C144 C143 1.0(19) . . . .
P11 C139 C144 C143 -174.8(10) . . . .
C142 C143 C144 C139 3(2) . . . .
C151 P12 C145 C150 -35.4(12) . . . .
C12 P12 C145 C150 69.2(12) . . . .
Pt4 P12 C145 C150 -169.1(10) . . . .
C151 P12 C145 C146 146.8(11) . . . .
C12 P12 C145 C146 -108.6(11) . . . .
Pt4 P12 C145 C146 13.1(12) . . . .
C150 C145 C146 C147 4(2) . . . .
P12 C145 C146 C147 -178.7(13) . . . .
C145 C146 C147 C148 -1(3) . . . .
C146 C147 C148 C149 0(3) . . . .
C147 C148 C149 C150 0(3) . . . .
C146 C145 C150 C149 -4(2) . . . .
P12 C145 C150 C149 178.0(13) . . . .
C148 C149 C150 C145 3(3) . . . .
C145 P12 C151 C152 -35.8(12) . . . .
C12 P12 C151 C152 -139.6(11) . . . .
Pt4 P12 C151 C152 94.3(11) . . . .
C145 P12 C151 C156 145.2(9) . . . .
C12 P12 C151 C156 41.4(10) . . . .
Pt4 P12 C151 C156 -84.7(9) . . . .
C156 C151 C152 C153 -1(2) . . . .
P12 C151 C152 C153 179.8(12) . . . .
C151 C152 C153 C154 2(2) . . . .
C152 C153 C154 C155 0(2) . . . .
C153 C154 C155 C156 -2(2) . . . .
C154 C155 C156 C151 3(2) . . . .
C152 C151 C156 C155 -1.2(18) . . . .
P12 C151 C156 C155 177.8(10) . . . .
C1 N1 C157 C161 151.5(10) . . . .
C1 N1 C157 C158 -23.6(17) . . . .
C1 N1 C157 Fe1 -122.6(14) . . . .
N1 C157 C158 C159 175.6(13) . . . .
C161 C157 C158 C159 0 . . . .
Fe1 C157 C158 C159 -58.9(5) . . . .
N1 C157 C158 Fe1 -125.6(12) . . . .
C161 C157 C158 Fe1 58.9(5) . . . .
C157 C158 C159 C160 0 . . . .
Fe1 C158 C159 C160 -57.6(6) . . . .
C157 C158 C159 Fe1 57.6(6) . . . .
C158 C159 C160 C161 0 . . . .
Fe1 C159 C160 C161 -59.3(4) . . . .
C158 C159 C160 Fe1 59.3(4) . . . .
N1 C157 C161 C160 -176.0(12) . . . .
C158 C157 C161 C160 0 . . . .
Fe1 C157 C161 C160 61.5(5) . . . .
N1 C157 C161 Fe1 122.5(11) . . . .
C158 C157 C161 Fe1 -61.5(5) . . . .
C159 C160 C161 C157 0 . . . .
Fe1 C160 C161 C157 -61.7(6) . . . .
C159 C160 C161 Fe1 61.7(6) . . . .
C4 N4 C162 C163 8(2) . . . .
C4 N4 C162 C166 178.8(11) . . . .
C4 N4 C162 Fe1 -87.8(16) . . . .
C166 C162 C163 C164 2.6(14) . . . .
N4 C162 C163 C164 174.3(11) . . . .
Fe1 C162 C163 C164 -58.1(8) . . . .
C166 C162 C163 Fe1 60.7(9) . . . .
N4 C162 C163 Fe1 -127.6(13) . . . .
C162 C163 C164 C165 -3.1(16) . . . .
Fe1 C163 C164 C165 -63.6(11) . . . .
C162 C163 C164 Fe1 60.5(9) . . . .
C163 C164 C165 C166 2.4(17) . . . .
Fe1 C164 C165 C166 -59.5(11) . . . .
C163 C164 C165 Fe1 61.9(9) . . . .
C164 C165 C166 C162 -0.7(17) . . . .
Fe1 C165 C166 C162 -58.7(9) . . . .
C164 C165 C166 Fe1 58.0(11) . . . .
C163 C162 C166 C165 -1.3(15) . . . .
N4 C162 C166 C165 -173.5(11) . . . .
Fe1 C162 C166 C165 59.1(10) . . . .
C163 C162 C166 Fe1 -60.4(9) . . . .
N4 C162 C166 Fe1 127.5(12) . . . .
C5 N5 C167 C168 -150.8(12) . . . .
C5 N5 C167 C171 28.4(18) . . . .
C5 N5 C167 Fe2 119.4(11) . . . .
N5 C167 C168 C169 178.2(10) . . . .
C171 C167 C168 C169 -1.2(14) . . . .
Fe2 C167 C168 C169 -59.7(8) . . . .
N5 C167 C168 Fe2 -122.2(11) . . . .
C171 C167 C168 Fe2 58.5(8) . . . .
C167 C168 C169 C170 1.3(14) . . . .
Fe2 C168 C169 C170 -58.7(8) . . . .
C167 C168 C169 Fe2 60.0(8) . . . .
C168 C169 C170 C171 -1.0(14) . . . .
Fe2 C169 C170 C171 -60.6(9) . . . .
C168 C169 C170 Fe2 59.6(8) . . . .
C169 C170 C171 C167 0.3(14) . . . .
Fe2 C170 C171 C167 -60.0(8) . . . .
C169 C170 C171 Fe2 60.2(8) . . . .
C168 C167 C171 C170 0.6(13) . . . .
N5 C167 C171 C170 -178.8(11) . . . .
Fe2 C167 C171 C170 59.5(8) . . . .
C168 C167 C171 Fe2 -58.9(8) . . . .
N5 C167 C171 Fe2 121.7(12) . . . .
C7 N7 C172 C176 -6.8(18) . . . .
C7 N7 C172 C173 176.3(11) . . . .
C7 N7 C172 Fe2 87.9(13) . . . .
N7 C172 C173 C174 177.7(10) . . . .
C176 C172 C173 C174 0.2(13) . . . .
Fe2 C172 C173 C174 -59.5(9) . . . .
N7 C172 C173 Fe2 -122.8(10) . . . .
C176 C172 C173 Fe2 59.8(8) . . . .
C172 C173 C174 C175 -0.5(15) . . . .
Fe2 C173 C174 C175 -59.6(10) . . . .
C172 C173 C174 Fe2 59.0(8) . . . .
C173 C174 C175 C176 0.6(16) . . . .
Fe2 C174 C175 C176 -58.6(10) . . . .
C173 C174 C175 Fe2 59.3(9) . . . .
C174 C175 C176 C172 -0.5(15) . . . .
Fe2 C175 C176 C172 -58.7(8) . . . .
C174 C175 C176 Fe2 58.2(10) . . . .
N7 C172 C176 C175 -177.1(11) . . . .
C173 C172 C176 C175 0.1(14) . . . .
Fe2 C172 C176 C175 59.6(9) . . . .
N7 C172 C176 Fe2 123.3(12) . . . .
C173 C172 C176 Fe2 -59.4(8) . . . .
C6 N6 C177 C181 -24(2) . . . .
C6 N6 C177 C178 156.2(12) . . . .
C6 N6 C177 Fe3 -119.7(13) . . . .
C181 C177 C178 C179 2.1(16) . . . .
N6 C177 C178 C179 -178.0(12) . . . .
Fe3 C177 C178 C179 59.5(10) . . . .
C181 C177 C178 Fe3 -57.5(10) . . . .
N6 C177 C178 Fe3 122.5(11) . . . .
C177 C178 C179 C180 -1.3(19) . . . .
Fe3 C178 C179 C180 57.8(13) . . . .
C177 C178 C179 Fe3 -59.1(10) . . . .
C178 C179 C180 C181 0(2) . . . .
Fe3 C179 C180 C181 59.1(13) . . . .
C178 C179 C180 Fe3 -58.8(12) . . . .
N6 C177 C181 C180 178.2(13) . . . .
C178 C177 C181 C180 -1.9(16) . . . .
Fe3 C177 C181 C180 -58.9(10) . . . .
N6 C177 C181 Fe3 -123.0(14) . . . .
C178 C177 C181 Fe3 57.0(10) . . . .
C179 C180 C181 C177 1(2) . . . .
Fe3 C180 C181 C177 61.0(10) . . . .
C179 C180 C181 Fe3 -60.0(14) . . . .
C10 N10 C182 C186 20.3(18) . . . .
C10 N10 C182 C183 -162.1(11) . . . .
C10 N10 C182 Fe3 -73.7(14) . . . .
C186 C182 C183 C184 0.1(14) . . . .
N10 C182 C183 C184 -177.9(10) . . . .
Fe3 C182 C183 C184 59.6(8) . . . .
C186 C182 C183 Fe3 -59.5(9) . . . .
N10 C182 C183 Fe3 122.5(10) . . . .
C182 C183 C184 C185 -0.8(14) . . . .
Fe3 C183 C184 C185 58.5(10) . . . .
C182 C183 C184 Fe3 -59.3(8) . . . .
C183 C184 C185 C186 1.3(15) . . . .
Fe3 C184 C185 C186 59.7(9) . . . .
C183 C184 C185 Fe3 -58.4(9) . . . .
N10 C182 C186 C185 178.5(11) . . . .
C183 C182 C186 C185 0.7(14) . . . .
Fe3 C182 C186 C185 -59.0(9) . . . .
N10 C182 C186 Fe3 -122.5(12) . . . .
C183 C182 C186 Fe3 59.7(8) . . . .
C184 C185 C186 C182 -1.2(15) . . . .
Fe3 C185 C186 C182 59.4(9) . . . .
C184 C185 C186 Fe3 -60.7(10) . . . .
C8 N8 C187 C191 -6.9(19) . . . .
C8 N8 C187 C188 172.5(11) . . . .
C8 N8 C187 Fe4 -101.0(12) . . . .
C191 C187 C188 C189 0.4(15) . . . .
N8 C187 C188 C189 -179.2(11) . . . .
Fe4 C187 C188 C189 59.5(9) . . . .
C191 C187 C188 Fe4 -59.1(9) . . . .
N8 C187 C188 Fe4 121.3(11) . . . .
C187 C188 C189 C190 0.2(15) . . . .
Fe4 C188 C189 C190 59.7(9) . . . .
C187 C188 C189 Fe4 -59.4(9) . . . .
C188 C189 C190 C191 -0.8(15) . . . .
Fe4 C189 C190 C191 58.5(9) . . . .
C188 C189 C190 Fe4 -59.2(9) . . . .
N8 C187 C191 C190 178.6(12) . . . .
C188 C187 C191 C190 -0.9(15) . . . .
Fe4 C187 C191 C190 -59.9(9) . . . .
N8 C187 C191 Fe4 -121.5(13) . . . .
C188 C187 C191 Fe4 59.0(9) . . . .
C189 C190 C191 C187 1.1(15) . . . .
Fe4 C190 C191 C187 59.7(9) . . . .
C189 C190 C191 Fe4 -58.6(10) . . . .
C11 N11 C192 C193 174.9(12) . . . .
C11 N11 C192 C196 -1.0(19) . . . .
C11 N11 C192 Fe4 -95.2(13) . . . .
N11 C192 C193 C194 -177.4(11) . . . .
C196 C192 C193 C194 -0.8(15) . . . .
Fe4 C192 C193 C194 59.7(9) . . . .
N11 C192 C193 Fe4 123.0(12) . . . .
C196 C192 C193 Fe4 -60.5(9) . . . .
C192 C193 C194 C195 -1.2(16) . . . .
Fe4 C193 C194 C195 58.9(10) . . . .
C192 C193 C194 Fe4 -60.1(9) . . . .
C193 C194 C195 C196 2.7(17) . . . .
Fe4 C194 C195 C196 61.2(10) . . . .
C193 C194 C195 Fe4 -58.5(10) . . . .
C194 C195 C196 C192 -3.1(16) . . . .
Fe4 C195 C196 C192 57.5(9) . . . .
C194 C195 C196 Fe4 -60.6(10) . . . .
C193 C192 C196 C195 2.4(15) . . . .
N11 C192 C196 C195 178.8(12) . . . .
Fe4 C192 C196 C195 -57.7(9) . . . .
C193 C192 C196 Fe4 60.1(9) . . . .
N11 C192 C196 Fe4 -123.5(13) . . . .
C9 N9 C197 C198 -179.5(13) . . . .
C9 N9 C197 C201 0(2) . . . .
C9 N9 C197 Fe5 94(2) . . . .
N9 C197 C198 C199 177.5(14) . . . .
C201 C197 C198 C199 -2.5(19) . . . .
Fe5 C197 C198 C199 -60.6(12) . . . .
N9 C197 C198 Fe5 -121.9(14) . . . .
C201 C197 C198 Fe5 58.1(11) . . . .
C197 C198 C199 C200 2(2) . . . .
Fe5 C198 C199 C200 -58.5(14) . . . .
C197 C198 C199 Fe5 60.7(13) . . . .
C198 C199 C200 C201 -1(2) . . . .
Fe5 C199 C200 C201 -59.5(12) . . . .
C198 C199 C200 Fe5 58.4(12) . . . .
N9 C197 C201 C200 -178.3(15) . . . .
C198 C197 C201 C200 1.7(17) . . . .
Fe5 C197 C201 C200 59.0(10) . . . .
N9 C197 C201 Fe5 122.8(17) . . . .
C198 C197 C201 Fe5 -57.3(11) . . . .
C199 C200 C201 C197 -0.4(19) . . . .
Fe5 C200 C201 C197 -60.9(11) . . . .
C199 C200 C201 Fe5 60.5(13) . . . .
C2 N2 C202 C203 -170.7(11) . . . .
C2 N2 C202 C206 7.4(18) . . . .
C2 N2 C202 Fe5 100.0(17) . . . .
N2 C202 C203 C204 178.4(12) . . . .
C206 C202 C203 C204 0 . . . .
Fe5 C202 C203 C204 -58.3(5) . . . .
N2 C202 C203 Fe5 -123.3(11) . . . .
C206 C202 C203 Fe5 58.3(5) . . . .
C202 C203 C204 C205 0 . . . .
Fe5 C203 C204 C205 -59.0(6) . . . .
C202 C203 C204 Fe5 59.0(6) . . . .
C203 C204 C205 C206 0 . . . .
Fe5 C204 C205 C206 -59.4(4) . . . .
C203 C204 C205 Fe5 59.4(4) . . . .
C204 C205 C206 C202 0 . . . .
Fe5 C205 C206 C202 -59.0(6) . . . .
C204 C205 C206 Fe5 59.0(6) . . . .
N2 C202 C206 C205 -178.3(13) . . . .
C203 C202 C206 C205 0 . . . .
Fe5 C202 C206 C205 58.3(5) . . . .
N2 C202 C206 Fe5 123.4(12) . . . .
C203 C202 C206 Fe5 -58.3(5) . . . .
C12 N12 C207 C208 15.7(17) . . . .
C12 N12 C207 C211 -164.6(10) . . . .
C12 N12 C207 Fe6 108.2(11) . . . .
N12 C207 C208 C209 179.0(10) . . . .
C211 C207 C208 C209 -0.7(13) . . . .
Fe6 C207 C208 C209 59.0(8) . . . .
N12 C207 C208 Fe6 120.0(12) . . . .
C211 C207 C208 Fe6 -59.7(8) . . . .
C207 C208 C209 C210 1.7(14) . . . .
Fe6 C208 C209 C210 60.8(9) . . . .
C207 C208 C209 Fe6 -59.2(8) . . . .
C208 C209 C210 C211 -2.1(15) . . . .
Fe6 C209 C210 C211 57.9(9) . . . .
C208 C209 C210 Fe6 -60.0(8) . . . .
C209 C210 C211 C207 1.6(15) . . . .
Fe6 C210 C211 C207 58.7(8) . . . .
C209 C210 C211 Fe6 -57.1(9) . . . .
C208 C207 C211 C210 -0.5(14) . . . .
N12 C207 C211 C210 179.7(10) . . . .
Fe6 C207 C211 C210 -60.4(9) . . . .
C208 C207 C211 Fe6 59.8(9) . . . .
N12 C207 C211 Fe6 -119.9(10) . . . .
C3 N3 C212 C213 -9(2) . . . .
C3 N3 C212 C216 172.5(12) . . . .
C3 N3 C212 Fe6 86.8(16) . . . .
C216 C212 C213 C214 3.1(17) . . . .
N3 C212 C213 C214 -175.7(14) . . . .
Fe6 C212 C213 C214 60.7(12) . . . .
C216 C212 C213 Fe6 -57.6(10) . . . .
N3 C212 C213 Fe6 123.6(14) . . . .
C212 C213 C214 C215 -1(2) . . . .
Fe6 C213 C214 C215 60.2(16) . . . .
C212 C213 C214 Fe6 -61.6(11) . . . .
C213 C214 C215 C216 -1(2) . . . .
Fe6 C214 C215 C216 58.9(14) . . . .
C213 C214 C215 Fe6 -59.7(13) . . . .
C213 C212 C216 C215 -3.4(17) . . . .
N3 C212 C216 C215 175.6(12) . . . .
Fe6 C212 C216 C215 -61.3(10) . . . .
C213 C212 C216 Fe6 57.9(10) . . . .
N3 C212 C216 Fe6 -123.1(11) . . . .
C214 C215 C216 C212 3(2) . . . .
Fe6 C215 C216 C212 63.1(10) . . . .
C214 C215 C216 Fe6 -60.5(16) . . . .
Cl11 C217 Cl9 Cl6 -141.9(14) . . . .
Cl10 C217 Cl9 Cl6 -25(3) . . . .
Cl7 C217 Cl9 Cl6 107.9(19) . . . .
Cl9 C217 Cl10 Cl5 -102(2) . . . .
Cl11 C217 Cl10 Cl5 16(3) . . . .
Cl7 C217 Cl10 Cl5 131.4(18) . . . .
Cl9 C217 Cl11 Cl8 22(3) . . . .
Cl10 C217 Cl11 Cl8 -97(3) . . . .
Cl7 C217 Cl11 Cl8 136(2) . . . .
