#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/08/7000826.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_7000826
loop_
_publ_author_name
'Longato, Bruno'
'Montagner, Diego'
'Zangrando, Ennio'
_publ_section_title
;
 Role of the ancillary ligands on the stabilization of the imino-oxo
 tautomer of 1-methylcytosine in PtII complexes
;
_journal_issue                   13
_journal_name_full               'Dalton Transactions'
_journal_page_first              2400
_journal_page_last               2405
_journal_paper_doi               10.1039/b818514j
_journal_year                    2009
_chemical_formula_moiety         'C47 H44 N5 O3 P2 Pt, N O3 1-, 0.5(H2 O)'
_chemical_formula_sum            'C47 H45 N6 O6.5 P2 Pt'
_chemical_formula_weight         1054.92
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.94(2)
_cell_angle_beta                 96.01(3)
_cell_angle_gamma                112.59(3)
_cell_formula_units_Z            4
_cell_length_a                   14.868(4)
_cell_length_b                   17.155(4)
_cell_length_c                   22.120(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4866(3)
_computing_cell_refinement       'Denzo (Otwinowski & Minor 1997)'
_computing_data_collection       'Nonius Xpress'
_computing_data_reduction
'Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep3/windows (Farrugia,1997)'
_computing_publication_material  'Wingx 1.70.01 (Farrugia, 1999)'
_computing_structure_refinement  'SHELX97 (Sheldrick, 1998)'
_computing_structure_solution    'SHELX97 (Sheldrick, 1998)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.872
_diffrn_measured_fraction_theta_max 0.872
_diffrn_measurement_device_type  'image plate dip1030'
_diffrn_measurement_method       'laser scanner'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0674
_diffrn_reflns_av_sigmaI/netI    0.1860
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            58142
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    3.002
_exptl_absorpt_correction_T_max  0.5379
_exptl_absorpt_correction_T_min  0.2455
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56
Cubic fit to sin(theta)/lambda - 24 parameters
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2116
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.101
_refine_diff_density_min         -0.776
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.768
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1086
_refine_ls_number_reflns         15539
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.768
_refine_ls_R_factor_all          0.1305
_refine_ls_R_factor_gt           0.0521
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0557P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1262
_refine_ls_wR_factor_ref         0.1398
_reflns_number_gt                6194
_reflns_number_total             15539
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b818514j.txt
_cod_data_source_block           pd3
_cod_original_cell_volume        4866(2)
_cod_original_formula_sum        'C47 H45 N6 O6.50 P2 Pt'
_cod_database_code               7000826
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.08624(3) 0.20485(3) 0.49893(2) 0.06103(17) Uani 1 1 d . . .
P1 P 0.1988(2) 0.2810(2) 0.44978(15) 0.0673(9) Uani 1 1 d . . .
P2 P -0.0509(2) 0.20427(19) 0.44106(14) 0.0628(8) Uani 1 1 d . . .
N1C N -0.0591(11) 0.2380(10) 0.7146(6) 0.112(4) Uani 1 1 d . . .
N3C N 0.0381(8) 0.2492(7) 0.6434(5) 0.085(3) Uani 1 1 d . . .
H3C H 0.0926 0.2774 0.6331 0.102 Uiso 1 1 calc R . .
N4C N -0.0102(6) 0.1322(6) 0.5475(4) 0.066(3) Uani 1 1 d . . .
H4C H -0.0449 0.0755 0.5271 0.079 Uiso 1 1 calc R . .
O2C O 0.0664(8) 0.3752(7) 0.7232(5) 0.124(3) Uani 1 1 d . . .
C1C C -0.0800(15) 0.2811(14) 0.7678(10) 0.194(9) Uani 1 1 d . . .
H1C1 H -0.1347 0.2388 0.7783 0.291 Uiso 1 1 calc R . .
H1C2 H -0.0981 0.3260 0.7598 0.291 Uiso 1 1 calc R . .
H1C3 H -0.0220 0.3093 0.8033 0.291 Uiso 1 1 calc R . .
C2C C 0.0175(13) 0.2935(12) 0.6982(8) 0.104(5) Uani 1 1 d . . .
C4C C -0.0230(10) 0.1634(9) 0.6047(7) 0.078(4) Uani 1 1 d . . .
C5C C -0.1009(10) 0.1116(9) 0.6309(7) 0.091(4) Uani 1 1 d . . .
H5C H -0.1384 0.0502 0.6094 0.109 Uiso 1 1 calc R . .
C6C C -0.1181(12) 0.1510(11) 0.6841(8) 0.109(5) Uani 1 1 d . . .
H6C H -0.1700 0.1196 0.7006 0.131 Uiso 1 1 calc R . .
N1T N 0.3082(9) 0.1311(8) 0.5678(6) 0.096(3) Uani 1 1 d . . .
N3T N 0.2041(6) 0.2024(6) 0.5580(4) 0.066(3) Uani 1 1 d . . .
O2T O 0.1576(6) 0.0599(5) 0.4877(4) 0.084(2) Uani 1 1 d . . .
O4T O 0.2390(6) 0.3362(5) 0.6295(4) 0.083(2) Uani 1 1 d . . .
C1T C 0.3302(11) 0.0545(10) 0.5423(8) 0.134(6) Uani 1 1 d . . .
H1T1 H 0.2750 0.0084 0.5077 0.201 Uiso 1 1 calc R . .
H1T2 H 0.3406 0.0316 0.5761 0.201 Uiso 1 1 calc R . .
H1T3 H 0.3897 0.0730 0.5262 0.201 Uiso 1 1 calc R . .
C2T C 0.2214(11) 0.1264(9) 0.5349(7) 0.081(4) Uani 1 1 d . . .
C4T C 0.2664(10) 0.2748(9) 0.6101(6) 0.068(3) Uani 1 1 d . . .
C5T C 0.3554(10) 0.2755(9) 0.6383(6) 0.079(4) Uani 1 1 d . . .
C6T C 0.3726(11) 0.2061(10) 0.6160(7) 0.096(4) Uani 1 1 d . . .
H6T H 0.4330 0.2082 0.6345 0.115 Uiso 1 1 calc R . .
C7T C 0.4293(10) 0.3613(9) 0.6904(6) 0.119(5) Uani 1 1 d . . .
H7T1 H 0.4019 0.4045 0.6979 0.178 Uiso 1 1 calc R . .
H7T2 H 0.4906 0.3847 0.6771 0.178 Uiso 1 1 calc R . .
H7T3 H 0.4424 0.3495 0.7296 0.178 Uiso 1 1 calc R . .
C1 C 0.1750(10) 0.2218(9) 0.3645(6) 0.074(3) Uani 1 1 d . . .
C2 C 0.1092(9) 0.1308(8) 0.3420(7) 0.084(4) Uani 1 1 d . . .
H2 H 0.0799 0.1038 0.3705 0.100 Uiso 1 1 calc R . .
C3 C 0.0882(12) 0.0824(12) 0.2792(8) 0.118(6) Uani 1 1 d . . .
H3 H 0.0410 0.0226 0.2639 0.142 Uiso 1 1 calc R . .
C4 C 0.1340(15) 0.1188(15) 0.2384(8) 0.131(7) Uani 1 1 d . . .
H4 H 0.1169 0.0851 0.1946 0.158 Uiso 1 1 calc R . .
C5 C 0.2109(13) 0.2115(13) 0.2626(8) 0.110(5) Uani 1 1 d . . .
H5 H 0.2459 0.2363 0.2349 0.131 Uiso 1 1 calc R . .
C6 C 0.2303(10) 0.2606(9) 0.3256(7) 0.085(4) Uani 1 1 d . . .
H6 H 0.2799 0.3194 0.3424 0.102 Uiso 1 1 calc R . .
C7 C 0.3280(8) 0.2997(8) 0.4784(6) 0.070(3) Uani 1 1 d . . .
C8 C 0.3511(11) 0.2267(9) 0.4557(7) 0.089(4) Uani 1 1 d . . .
H8 H 0.3029 0.1712 0.4275 0.107 Uiso 1 1 calc R . .
C9 C 0.4484(14) 0.2407(10) 0.4770(9) 0.120(6) Uani 1 1 d . . .
H9 H 0.4654 0.1930 0.4627 0.144 Uiso 1 1 calc R . .
C10 C 0.5232(11) 0.3237(13) 0.5194(8) 0.115(6) Uani 1 1 d . . .
H10 H 0.5872 0.3289 0.5332 0.138 Uiso 1 1 calc R . .
C11 C 0.5038(12) 0.3963(12) 0.5406(9) 0.123(6) Uani 1 1 d . . .
H11 H 0.5534 0.4520 0.5674 0.147 Uiso 1 1 calc R . .
C12 C 0.4024(11) 0.3826(9) 0.5193(7) 0.095(4) Uani 1 1 d . . .
H12 H 0.3860 0.4306 0.5332 0.114 Uiso 1 1 calc R . .
C13 C 0.2051(8) 0.3960(7) 0.4674(6) 0.068(3) Uani 1 1 d . . .
C14 C 0.2062(8) 0.4358(8) 0.4188(6) 0.065(3) Uani 1 1 d . . .
H14 H 0.2025 0.4044 0.3764 0.078 Uiso 1 1 calc R . .
C15 C 0.2126(10) 0.5187(9) 0.4353(7) 0.084(4) Uani 1 1 d . . .
H15 H 0.2103 0.5442 0.4034 0.100 Uiso 1 1 calc R . .
C16 C 0.2223(9) 0.5659(9) 0.4963(8) 0.084(4) Uani 1 1 d . . .
H16 H 0.2307 0.6250 0.5068 0.101 Uiso 1 1 calc R . .
C17 C 0.2201(10) 0.5279(9) 0.5453(7) 0.095(4) Uani 1 1 d . . .
H17 H 0.2254 0.5612 0.5876 0.113 Uiso 1 1 calc R . .
C18 C 0.2099(9) 0.4398(8) 0.5300(6) 0.079(4) Uani 1 1 d . . .
H18 H 0.2066 0.4125 0.5611 0.094 Uiso 1 1 calc R . .
C19 C -0.1309(9) 0.0932(7) 0.3826(5) 0.073(4) Uani 1 1 d . . .
C20 C -0.1129(9) 0.0172(8) 0.3801(5) 0.068(3) Uani 1 1 d . . .
H20 H -0.0584 0.0241 0.4094 0.082 Uiso 1 1 calc R . .
C21 C -0.1734(11) -0.0658(8) 0.3357(6) 0.089(4) Uani 1 1 d . . .
H21 H -0.1598 -0.1148 0.3343 0.106 Uiso 1 1 calc R . .
C22 C -0.2534(11) -0.0758(10) 0.2939(7) 0.098(5) Uani 1 1 d . . .
H22 H -0.2942 -0.1320 0.2632 0.118 Uiso 1 1 calc R . .
C23 C -0.2750(11) -0.0065(11) 0.2956(7) 0.105(5) Uani 1 1 d . . .
H23 H -0.3316 -0.0158 0.2670 0.126 Uiso 1 1 calc R . .
C24 C -0.2144(10) 0.0784(9) 0.3391(6) 0.082(4) Uani 1 1 d . . .
H24 H -0.2299 0.1260 0.3391 0.099 Uiso 1 1 calc R . .
C25 C -0.1204(10) 0.2373(8) 0.4984(6) 0.066(3) Uani 1 1 d . . .
C26 C -0.2240(11) 0.1852(9) 0.4883(7) 0.088(4) Uani 1 1 d . . .
H26 H -0.2612 0.1360 0.4509 0.105 Uiso 1 1 calc R . .
C27 C -0.2684(13) 0.2137(12) 0.5402(11) 0.121(6) Uani 1 1 d . . .
H27 H -0.3362 0.1811 0.5370 0.145 Uiso 1 1 calc R . .
C28 C -0.214(2) 0.2859(13) 0.5925(10) 0.134(8) Uani 1 1 d . . .
H28 H -0.2448 0.3015 0.6250 0.161 Uiso 1 1 calc R . .
C29 C -0.1209(15) 0.3346(12) 0.6001(8) 0.103(5) Uani 1 1 d . . .
H29 H -0.0867 0.3865 0.6361 0.124 Uiso 1 1 calc R . .
C30 C -0.0717(10) 0.3099(9) 0.5548(7) 0.077(4) Uani 1 1 d . . .
H30 H -0.0029 0.3433 0.5625 0.093 Uiso 1 1 calc R . .
C31 C -0.0410(8) 0.2755(8) 0.3914(6) 0.067(3) Uani 1 1 d . . .
C32 C -0.0294(9) 0.2485(8) 0.3285(6) 0.080(4) Uani 1 1 d . . .
H32 H -0.0239 0.1950 0.3113 0.096 Uiso 1 1 calc R . .
C33 C -0.0265(10) 0.3025(12) 0.2928(7) 0.107(5) Uani 1 1 d . . .
H33 H -0.0232 0.2824 0.2499 0.129 Uiso 1 1 calc R . .
C34 C -0.0282(12) 0.3853(10) 0.3163(7) 0.099(5) Uani 1 1 d . . .
H34 H -0.0229 0.4214 0.2910 0.118 Uiso 1 1 calc R . .
C35 C -0.0374(11) 0.4098(10) 0.3741(8) 0.098(5) Uani 1 1 d . . .
H35 H -0.0403 0.4647 0.3902 0.118 Uiso 1 1 calc R . .
C36 C -0.0435(8) 0.3590(8) 0.4154(6) 0.078(4) Uani 1 1 d . . .
H36 H -0.0491 0.3805 0.4576 0.094 Uiso 1 1 calc R . .
Pt2 Pt 0.57775(3) 0.69280(3) 0.96550(2) 0.06012(16) Uani 1 1 d . . .
P3 P 0.5344(2) 0.8097(2) 0.98532(15) 0.0662(9) Uani 1 1 d . . .
P4 P 0.7364(2) 0.77274(19) 1.02846(15) 0.0633(9) Uani 1 1 d . . .
N1D N 0.6874(8) 0.4885(8) 0.7781(5) 0.086(3) Uani 1 1 d . . .
N3D N 0.6176(7) 0.5720(6) 0.8376(5) 0.070(3) Uani 1 1 d . . .
H3D H 0.5889 0.6074 0.8403 0.084 Uiso 1 1 calc R . .
N4D N 0.6076(6) 0.5800(5) 0.9425(4) 0.062(2) Uani 1 1 d . . .
H4D H 0.6076 0.5558 0.9717 0.074 Uiso 1 1 calc R . .
O2D O 0.6459(7) 0.5837(6) 0.7401(4) 0.098(3) Uani 1 1 d . . .
C1D C 0.7266(11) 0.4608(10) 0.7196(7) 0.119(5) Uani 1 1 d . . .
H1D1 H 0.7478 0.4153 0.7222 0.179 Uiso 1 1 calc R . .
H1D2 H 0.7825 0.5120 0.7183 0.179 Uiso 1 1 calc R . .
H1D3 H 0.6745 0.4374 0.6811 0.179 Uiso 1 1 calc R . .
C2D C 0.6495(10) 0.5509(9) 0.7825(7) 0.081(4) Uani 1 1 d . . .
C4D C 0.6255(8) 0.5435(7) 0.8901(6) 0.063(3) Uani 1 1 d . . .
C5D C 0.6596(9) 0.4741(7) 0.8807(6) 0.070(3) Uani 1 1 d . . .
H5D H 0.6628 0.4476 0.9119 0.085 Uiso 1 1 calc R . .
C6D C 0.6862(9) 0.4493(8) 0.8258(7) 0.083(4) Uani 1 1 d . . .
H6D H 0.7055 0.4027 0.8186 0.099 Uiso 1 1 calc R . .
N1U N 0.3131(9) 0.5587(7) 0.8112(5) 0.091(3) Uani 1 1 d . . .
N3U N 0.4371(7) 0.6090(6) 0.9082(4) 0.067(3) Uani 1 1 d . . .
O2U O 0.4814(7) 0.6481(5) 0.8223(4) 0.081(2) Uani 1 1 d . . .
O4U O 0.3955(6) 0.5594(5) 0.9924(4) 0.078(2) Uani 1 1 d . . .
C1U C 0.2835(10) 0.5595(8) 0.7431(6) 0.104(4) Uani 1 1 d . . .
H1U1 H 0.3422 0.5944 0.7313 0.156 Uiso 1 1 calc R . .
H1U2 H 0.2369 0.5856 0.7424 0.156 Uiso 1 1 calc R . .
H1U3 H 0.2529 0.4991 0.7129 0.156 Uiso 1 1 calc R . .
C2U C 0.4146(10) 0.6075(8) 0.8456(6) 0.067(3) Uani 1 1 d . . .
C4U C 0.3682(10) 0.5618(8) 0.9391(7) 0.077(4) Uani 1 1 d . . .
C5U C 0.2691(9) 0.5164(7) 0.9025(6) 0.057(3) Uani 1 1 d . . .
C6U C 0.2445(10) 0.5172(8) 0.8422(7) 0.081(4) Uani 1 1 d . . .
H6U H 0.1772 0.4879 0.8205 0.097 Uiso 1 1 calc R . .
C7U C 0.1948(9) 0.4699(8) 0.9345(6) 0.099(4) Uani 1 1 d . . .
H7U1 H 0.1293 0.4411 0.9059 0.149 Uiso 1 1 calc R . .
H7U2 H 0.1955 0.5126 0.9733 0.149 Uiso 1 1 calc R . .
H7U3 H 0.2110 0.4255 0.9452 0.149 Uiso 1 1 calc R . .
C37 C 0.5198(9) 0.8474(8) 1.0664(6) 0.072(4) Uani 1 1 d . . .
C38 C 0.5174(9) 0.7974(9) 1.1046(7) 0.077(4) Uani 1 1 d . . .
H38 H 0.5289 0.7467 1.0898 0.093 Uiso 1 1 calc R . .
C39 C 0.4984(9) 0.8200(11) 1.1650(8) 0.098(4) Uani 1 1 d . . .
H39 H 0.4996 0.7873 1.1921 0.118 Uiso 1 1 calc R . .
C40 C 0.4766(10) 0.8965(13) 1.1840(8) 0.126(7) Uani 1 1 d . . .
H40 H 0.4621 0.9169 1.2236 0.151 Uiso 1 1 calc R . .
C41 C 0.4795(13) 0.9392(13) 1.1349(14) 0.150(9) Uani 1 1 d . . .
H41 H 0.4639 0.9881 1.1460 0.180 Uiso 1 1 calc R . .
C42 C 0.4991(13) 0.9216(13) 1.0808(8) 0.117(7) Uani 1 1 d . . .
H42 H 0.4998 0.9544 1.0535 0.141 Uiso 1 1 calc R . .
C43 C 0.4103(11) 0.7802(9) 0.9387(6) 0.075(4) Uani 1 1 d . . .
C44 C 0.3281(12) 0.7354(9) 0.9588(7) 0.085(4) Uani 1 1 d . . .
H44 H 0.3365 0.7215 0.9962 0.102 Uiso 1 1 calc R . .
C45 C 0.2340(12) 0.7108(10) 0.9251(8) 0.103(5) Uani 1 1 d . . .
H45 H 0.1780 0.6795 0.9384 0.123 Uiso 1 1 calc R . .
C46 C 0.2242(14) 0.7337(12) 0.8704(10) 0.124(7) Uani 1 1 d . . .
H46 H 0.1601 0.7155 0.8461 0.149 Uiso 1 1 calc R . .
C47 C 0.3074(18) 0.7835(11) 0.8501(8) 0.129(6) Uani 1 1 d . . .
H47 H 0.3009 0.8007 0.8141 0.154 Uiso 1 1 calc R . .
C48 C 0.3982(11) 0.8046(9) 0.8871(8) 0.098(5) Uani 1 1 d . . .
H48 H 0.4554 0.8381 0.8758 0.117 Uiso 1 1 calc R . .
C49 C 0.6184(10) 0.8998(8) 0.9657(7) 0.077(4) Uani 1 1 d . . .
C50 C 0.6591(11) 0.9878(10) 1.0021(8) 0.096(5) Uani 1 1 d . . .
H50 H 0.6447 1.0034 1.0424 0.115 Uiso 1 1 calc R . .
C51 C 0.7201(14) 1.0558(12) 0.9835(9) 0.122(7) Uani 1 1 d . . .
H51 H 0.7411 1.1158 1.0084 0.147 Uiso 1 1 calc R . .
C52 C 0.7484(14) 1.0328(11) 0.9281(12) 0.140(7) Uani 1 1 d . . .
H52 H 0.7956 1.0776 0.9172 0.168 Uiso 1 1 calc R . .
C53 C 0.7098(12) 0.9446(12) 0.8867(8) 0.113(5) Uani 1 1 d . . .
H53 H 0.7255 0.9304 0.8467 0.136 Uiso 1 1 calc R . .
C54 C 0.6479(11) 0.8794(9) 0.9066(8) 0.093(4) Uani 1 1 d . . .
H54 H 0.6241 0.8196 0.8805 0.112 Uiso 1 1 calc R . .
C55 C 0.7433(10) 0.7382(8) 1.0994(5) 0.068(3) Uani 1 1 d . . .
C56 C 0.6593(10) 0.6674(8) 1.1044(6) 0.073(4) Uani 1 1 d . . .
H56 H 0.6010 0.6362 1.0716 0.088 Uiso 1 1 calc R . .
C57 C 0.6670(11) 0.6458(8) 1.1604(7) 0.084(4) Uani 1 1 d . . .
H57 H 0.6121 0.5997 1.1648 0.101 Uiso 1 1 calc R . .
C58 C 0.7535(12) 0.6907(9) 1.2098(7) 0.089(4) Uani 1 1 d . . .
H58 H 0.7567 0.6734 1.2460 0.107 Uiso 1 1 calc R . .
C59 C 0.8333(12) 0.7599(10) 1.2052(6) 0.095(5) Uani 1 1 d . . .
H59 H 0.8905 0.7912 1.2390 0.113 Uiso 1 1 calc R . .
C60 C 0.8305(10) 0.7851(8) 1.1492(6) 0.081(4) Uani 1 1 d . . .
H60 H 0.8857 0.8319 1.1457 0.097 Uiso 1 1 calc R . .
C61 C 0.8219(10) 0.7493(7) 0.9855(7) 0.068(3) Uani 1 1 d . . .
C62 C 0.8959(12) 0.7294(8) 1.0093(7) 0.090(4) Uani 1 1 d . . .
H62 H 0.9040 0.7309 1.0519 0.108 Uiso 1 1 calc R . .
C63 C 0.9593(13) 0.7075(10) 0.9744(10) 0.116(6) Uani 1 1 d . . .
H63 H 1.0090 0.6947 0.9925 0.140 Uiso 1 1 calc R . .
C64 C 0.9455(14) 0.7053(9) 0.9112(11) 0.119(6) Uani 1 1 d . . .
H64 H 0.9868 0.6908 0.8859 0.143 Uiso 1 1 calc R . .
C65 C 0.8694(12) 0.7247(9) 0.8844(8) 0.099(5) Uani 1 1 d . . .
H65 H 0.8578 0.7211 0.8413 0.119 Uiso 1 1 calc R . .
C66 C 0.8141(10) 0.7489(8) 0.9240(8) 0.082(4) Uani 1 1 d . . .
H66 H 0.7676 0.7664 0.9078 0.098 Uiso 1 1 calc R . .
C67 C 0.7959(9) 0.8937(8) 1.0625(6) 0.066(3) Uani 1 1 d . . .
C68 C 0.7736(9) 0.9352(8) 1.1188(7) 0.081(4) Uani 1 1 d . . .
H68 H 0.7269 0.9013 1.1372 0.097 Uiso 1 1 calc R . .
C69 C 0.8233(11) 1.0294(10) 1.1472(6) 0.093(4) Uani 1 1 d . . .
H69 H 0.8098 1.0592 1.1845 0.112 Uiso 1 1 calc R . .
C70 C 0.8928(11) 1.0767(9) 1.1183(9) 0.114(6) Uani 1 1 d . . .
H70 H 0.9272 1.1388 1.1372 0.136 Uiso 1 1 calc R . .
C71 C 0.9119(11) 1.0353(10) 1.0636(8) 0.098(5) Uani 1 1 d . . .
H71 H 0.9585 1.0690 1.0450 0.117 Uiso 1 1 calc R . .
C72 C 0.8642(10) 0.9453(8) 1.0354(6) 0.084(4) Uani 1 1 d . . .
H72 H 0.8774 0.9176 0.9972 0.100 Uiso 1 1 calc R . .
N10 N 0.1097(16) 0.6026(14) 0.0722(9) 0.344(8) Uiso 0.50 1 d PG . .
O11 O 0.059(3) 0.598(2) 0.0225(14) 0.36(2) Uiso 0.50 1 d PG . .
O13 O 0.0779(17) 0.5412(15) 0.0936(11) 0.179(10) Uiso 0.50 1 d PG . .
O12 O 0.1950(19) 0.6654(17) 0.0982(16) 0.281(17) Uiso 0.50 1 d PG . .
N20 N 0.3968(11) 0.8281(10) 0.3223(7) 0.119(8) Uiso 0.50 1 d PG . .
O21 O 0.3711(13) 0.7501(11) 0.2871(8) 0.116(6) Uiso 0.50 1 d PG . .
O22 O 0.3439(19) 0.8655(14) 0.3137(12) 0.223(13) Uiso 0.50 1 d PG . .
O23 O 0.471(2) 0.8665(18) 0.3689(13) 0.37(2) Uiso 0.50 1 d PG . .
N30 N 0.5242(17) 0.2020(14) 0.3146(9) 0.30(2) Uiso 0.50 1 d PG . .
O31 O 0.515(2) 0.2685(16) 0.3098(13) 0.203(11) Uiso 0.50 1 d PG . .
O32 O 0.450(2) 0.1301(16) 0.297(2) 0.39(3) Uiso 0.50 1 d PG . .
O33 O 0.609(2) 0.206(2) 0.3327(17) 0.280(17) Uiso 0.50 1 d PG . .
N40 N 0.1925(15) 0.8853(12) 0.1854(9) 0.30(3) Uiso 0.50 1 d PG . .
O43 O 0.196(2) 0.8211(18) 0.1454(13) 0.31(4) Uiso 0.50 1 d PG . .
O41 O 0.1138(16) 0.8927(19) 0.1818(14) 0.239(13) Uiso 0.50 1 d PG . .
O42 O 0.2656(17) 0.9385(16) 0.2318(11) 0.214(12) Uiso 0.50 1 d PG . .
O1W O 0.0206(12) 0.4866(10) 0.1968(7) 0.226(6) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3T Pt1 N4C 87.2(3) . . ?
N3T Pt1 P1 88.9(2) . . ?
N4C Pt1 P1 175.9(2) . . ?
N3T Pt1 P2 174.8(3) . . ?
N4C Pt1 P2 87.9(2) . . ?
P1 Pt1 P2 96.13(11) . . ?
C1 P1 C7 101.6(6) . . ?
C1 P1 C13 112.8(6) . . ?
C7 P1 C13 104.8(5) . . ?
C1 P1 Pt1 113.4(5) . . ?
C7 P1 Pt1 114.8(4) . . ?
C13 P1 Pt1 109.1(4) . . ?
C19 P2 C25 109.4(6) . . ?
C19 P2 C31 101.7(6) . . ?
C25 P2 C31 103.7(5) . . ?
C19 P2 Pt1 111.1(4) . . ?
C25 P2 Pt1 107.5(4) . . ?
C31 P2 Pt1 122.7(4) . . ?
C6C N1C C2C 129.5(15) . . ?
C6C N1C C1C 118.3(17) . . ?
C2C N1C C1C 112.0(17) . . ?
C4C N3C C2C 123.4(13) . . ?
C4C N4C Pt1 127.2(9) . . ?
O2C C2C N1C 129.5(18) . . ?
O2C C2C N3C 118.6(17) . . ?
N1C C2C N3C 111.9(16) . . ?
N4C C4C N3C 120.0(13) . . ?
N4C C4C C5C 123.6(13) . . ?
N3C C4C C5C 116.5(12) . . ?
C6C C5C C4C 119.8(15) . . ?
C5C C6C N1C 117.7(15) . . ?
C6T N1T C2T 121.1(12) . . ?
C6T N1T C1T 122.6(13) . . ?
C2T N1T C1T 115.9(13) . . ?
C4T N3T C2T 122.8(11) . . ?
C4T N3T Pt1 121.5(8) . . ?
C2T N3T Pt1 115.1(8) . . ?
O2T C2T N1T 125.8(13) . . ?
O2T C2T N3T 119.1(12) . . ?
N1T C2T N3T 115.1(12) . . ?
O4T C4T N3T 117.1(12) . . ?
O4T C4T C5T 125.0(12) . . ?
N3T C4T C5T 117.9(12) . . ?
C6T C5T C4T 119.2(13) . . ?
C6T C5T C7T 123.8(14) . . ?
C4T C5T C7T 116.8(13) . . ?
C5T C6T N1T 123.5(14) . . ?
C6 C1 C2 121.3(12) . . ?
C6 C1 P1 121.6(11) . . ?
C2 C1 P1 116.4(10) . . ?
C3 C2 C1 119.8(14) . . ?
C4 C3 C2 120.8(16) . . ?
C3 C4 C5 119.9(15) . . ?
C6 C5 C4 118.9(15) . . ?
C5 C6 C1 118.6(14) . . ?
C12 C7 C8 120.1(12) . . ?
C12 C7 P1 122.9(10) . . ?
C8 C7 P1 116.9(10) . . ?
C9 C8 C7 117.1(13) . . ?
C8 C9 C10 122.9(15) . . ?
C11 C10 C9 121.3(15) . . ?
C10 C11 C12 116.4(15) . . ?
C7 C12 C11 122.1(14) . . ?
C18 C13 C14 122.2(11) . . ?
C18 C13 P1 115.7(9) . . ?
C14 C13 P1 122.2(9) . . ?
C15 C14 C13 118.8(11) . . ?
C14 C15 C16 121.3(13) . . ?
C15 C16 C17 121.1(13) . . ?
C18 C17 C16 119.7(12) . . ?
C13 C18 C17 116.9(12) . . ?
C24 C19 C20 116.4(11) . . ?
C24 C19 P2 121.2(10) . . ?
C20 C19 P2 122.3(9) . . ?
C21 C20 C19 121.7(12) . . ?
C22 C21 C20 118.9(13) . . ?
C23 C22 C21 121.5(14) . . ?
C22 C23 C24 120.9(14) . . ?
C23 C24 C19 120.5(12) . . ?
C30 C25 C26 118.3(13) . . ?
C30 C25 P2 120.8(11) . . ?
C26 C25 P2 120.7(10) . . ?
C25 C26 C27 115.2(14) . . ?
C28 C27 C26 121.0(17) . . ?
C29 C28 C27 123(2) . . ?
C28 C29 C30 119(2) . . ?
C29 C30 C25 122.5(15) . . ?
C32 C31 C36 117.9(11) . . ?
C32 C31 P2 120.6(10) . . ?
C36 C31 P2 121.5(10) . . ?
C33 C32 C31 118.2(13) . . ?
C32 C33 C34 124.2(14) . . ?
C35 C34 C33 116.9(15) . . ?
C34 C35 C36 124.2(14) . . ?
C31 C36 C35 118.5(12) . . ?
N3U Pt2 N4D 86.5(3) . . ?
N3U Pt2 P4 174.0(2) . . ?
N4D Pt2 P4 87.6(2) . . ?
N3U Pt2 P3 89.4(3) . . ?
N4D Pt2 P3 175.9(2) . . ?
P4 Pt2 P3 96.48(12) . . ?
C49 P3 C37 111.4(7) . . ?
C49 P3 C43 105.8(6) . . ?
C37 P3 C43 100.6(6) . . ?
C49 P3 Pt2 111.6(5) . . ?
C37 P3 Pt2 113.2(5) . . ?
C43 P3 Pt2 113.6(4) . . ?
C61 P4 C67 102.5(6) . . ?
C61 P4 C55 108.0(6) . . ?
C67 P4 C55 103.4(6) . . ?
C61 P4 Pt2 110.1(5) . . ?
C67 P4 Pt2 123.2(4) . . ?
C55 P4 Pt2 108.7(5) . . ?
C2D N1D C6D 120.5(12) . . ?
C2D N1D C1D 118.7(12) . . ?
C6D N1D C1D 120.7(12) . . ?
C2D N3D C4D 128.1(11) . . ?
C4D N4D Pt2 127.0(8) . . ?
O2D C2D N3D 124.3(13) . . ?
O2D C2D N1D 121.9(14) . . ?
N3D C2D N1D 113.8(12) . . ?
N4D C4D N3D 120.9(11) . . ?
N4D C4D C5D 124.1(11) . . ?
N3D C4D C5D 115.0(11) . . ?
C6D C5D C4D 117.3(12) . . ?
C5D C6D N1D 124.6(12) . . ?
C6U N1U C2U 118.0(12) . . ?
C6U N1U C1U 122.9(11) . . ?
C2U N1U C1U 119.0(12) . . ?
C2U N3U C4U 125.3(11) . . ?
C2U N3U Pt2 119.3(8) . . ?
C4U N3U Pt2 115.2(8) . . ?
O2U C2U N3U 120.2(12) . . ?
O2U C2U N1U 122.8(12) . . ?
N3U C2U N1U 117.1(12) . . ?
O4U C4U C5U 124.2(14) . . ?
O4U C4U N3U 121.6(12) . . ?
C5U C4U N3U 114.2(12) . . ?
C6U C5U C4U 121.4(13) . . ?
C6U C5U C7U 123.0(12) . . ?
C4U C5U C7U 115.5(12) . . ?
C5U C6U N1U 123.8(12) . . ?
C38 C37 C42 125.4(14) . . ?
C38 C37 P3 119.7(10) . . ?
C42 C37 P3 114.3(12) . . ?
C37 C38 C39 121.5(13) . . ?
C38 C39 C40 116.6(14) . . ?
C39 C40 C41 113.2(15) . . ?
C42 C41 C40 131(2) . . ?
C41 C42 C37 112(2) . . ?
C48 C43 C44 119.4(14) . . ?
C48 C43 P3 121.6(13) . . ?
C44 C43 P3 118.9(11) . . ?
C45 C44 C43 120.9(15) . . ?
C44 C45 C46 118.1(16) . . ?
C45 C46 C47 122.4(16) . . ?
C48 C47 C46 114.9(17) . . ?
C43 C48 C47 124.1(17) . . ?
C50 C49 C54 115.4(13) . . ?
C50 C49 P3 126.4(12) . . ?
C54 C49 P3 118.2(11) . . ?
C49 C50 C51 124.4(16) . . ?
C52 C51 C50 117.7(17) . . ?
C51 C52 C53 122.3(18) . . ?
C54 C53 C52 117.6(16) . . ?
C53 C54 C49 122.2(14) . . ?
C60 C55 C56 120.9(11) . . ?
C60 C55 P4 119.4(11) . . ?
C56 C55 P4 119.7(9) . . ?
C57 C56 C55 117.5(12) . . ?
C58 C57 C56 122.4(14) . . ?
C59 C58 C57 119.7(14) . . ?
C58 C59 C60 120.6(13) . . ?
C55 C60 C59 118.8(12) . . ?
C66 C61 C62 116.2(13) . . ?
C66 C61 P4 118.8(11) . . ?
C62 C61 P4 125.0(12) . . ?
C61 C62 C63 124.4(15) . . ?
C62 C63 C64 116.7(16) . . ?
C63 C64 C65 120.9(15) . . ?
C66 C65 C64 117.1(16) . . ?
C65 C66 C61 124.5(15) . . ?
C72 C67 C68 119.9(12) . . ?
C72 C67 P4 121.7(10) . . ?
C68 C67 P4 118.4(10) . . ?
C67 C68 C69 118.5(13) . . ?
C70 C69 C68 118.5(14) . . ?
C71 C70 C69 121.8(15) . . ?
C70 C71 C72 120.5(14) . . ?
C71 C72 C67 120.8(13) . . ?
O13 N10 O11 118.8 . . ?
O13 N10 O12 120.0 . . ?
O11 N10 O12 121.0 . . ?
O22 N20 O21 118.8 . . ?
O22 N20 O23 120.0 . . ?
O21 N20 O23 121.0 . . ?
O32 N30 O31 118.8 . . ?
O32 N30 O33 120.0 . . ?
O31 N30 O33 121.0 . . ?
O41 N40 O43 118.8 . . ?
O41 N40 O42 120.0 . . ?
O43 N40 O42 121.0 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N3T 2.095(8) . ?
Pt1 N4C 2.110(9) . ?
Pt1 P1 2.274(3) . ?
Pt1 P2 2.286(3) . ?
P1 C1 1.802(12) . ?
P1 C7 1.832(12) . ?
P1 C13 1.867(11) . ?
P2 C19 1.816(11) . ?
P2 C25 1.824(13) . ?
P2 C31 1.831(12) . ?
N1C C6C 1.330(16) . ?
N1C C2C 1.333(18) . ?
N1C C1C 1.343(19) . ?
N3C C4C 1.357(14) . ?
N3C C2C 1.376(17) . ?
N4C C4C 1.296(13) . ?
O2C C2C 1.228(16) . ?
C4C C5C 1.450(16) . ?
C5C C6C 1.291(16) . ?
N1T C6T 1.341(15) . ?
N1T C2T 1.375(15) . ?
N1T C1T 1.455(15) . ?
N3T C4T 1.354(13) . ?
N3T C2T 1.395(14) . ?
O2T C2T 1.264(13) . ?
O4T C4T 1.256(13) . ?
C4T C5T 1.397(15) . ?
C5T C6T 1.290(16) . ?
C5T C7T 1.505(16) . ?
C1 C6 1.379(16) . ?
C1 C2 1.392(15) . ?
C2 C3 1.339(16) . ?
C3 C4 1.33(2) . ?
C4 C5 1.46(2) . ?
C5 C6 1.349(17) . ?
C7 C12 1.393(15) . ?
C7 C8 1.399(15) . ?
C8 C9 1.380(17) . ?
C9 C10 1.405(19) . ?
C10 C11 1.355(19) . ?
C11 C12 1.438(17) . ?
C13 C18 1.361(14) . ?
C13 C14 1.420(14) . ?
C14 C15 1.330(14) . ?
C15 C16 1.330(15) . ?
C16 C17 1.405(16) . ?
C17 C18 1.397(15) . ?
C19 C24 1.380(14) . ?
C19 C20 1.416(14) . ?
C20 C21 1.366(14) . ?
C21 C22 1.352(16) . ?
C22 C23 1.337(17) . ?
C23 C24 1.379(16) . ?
C25 C30 1.377(15) . ?
C25 C26 1.407(15) . ?
C26 C27 1.446(18) . ?
C27 C28 1.33(2) . ?
C28 C29 1.27(2) . ?
C29 C30 1.369(18) . ?
C31 C32 1.392(15) . ?
C31 C36 1.400(14) . ?
C32 C33 1.365(16) . ?
C33 C34 1.383(18) . ?
C34 C35 1.270(16) . ?
C35 C36 1.414(15) . ?
Pt2 N3U 2.045(9) . ?
Pt2 N4D 2.089(8) . ?
Pt2 P4 2.272(3) . ?
Pt2 P3 2.281(3) . ?
P3 C49 1.771(14) . ?
P3 C37 1.798(13) . ?
P3 C43 1.822(14) . ?
P4 C61 1.765(13) . ?
P4 C67 1.803(12) . ?
P4 C55 1.829(12) . ?
N1D C2D 1.375(14) . ?
N1D C6D 1.396(14) . ?
N1D C1D 1.507(15) . ?
N3D C2D 1.361(14) . ?
N3D C4D 1.389(12) . ?
N4D C4D 1.264(12) . ?
O2D C2D 1.225(14) . ?
C4D C5D 1.437(14) . ?
C5D C6D 1.327(15) . ?
N1U C6U 1.369(15) . ?
N1U C2U 1.414(14) . ?
N1U C1U 1.529(14) . ?
N3U C2U 1.381(13) . ?
N3U C4U 1.407(15) . ?
O2U C2U 1.230(13) . ?
O4U C4U 1.224(13) . ?
C4U C5U 1.399(15) . ?
C5U C6U 1.350(14) . ?
C5U C7U 1.467(15) . ?
C37 C38 1.353(15) . ?
C37 C42 1.38(2) . ?
C38 C39 1.375(16) . ?
C39 C40 1.434(19) . ?
C40 C41 1.46(2) . ?
C41 C42 1.24(2) . ?
C43 C48 1.338(16) . ?
C43 C44 1.365(17) . ?
C44 C45 1.358(17) . ?
C45 C46 1.38(2) . ?
C46 C47 1.41(2) . ?
C47 C48 1.361(19) . ?
C49 C50 1.349(16) . ?
C49 C54 1.419(16) . ?
C50 C51 1.37(2) . ?
C51 C52 1.34(2) . ?
C52 C53 1.39(2) . ?
C53 C54 1.363(17) . ?
C55 C60 1.398(15) . ?
C55 C56 1.409(15) . ?
C56 C57 1.391(14) . ?
C57 C58 1.389(16) . ?
C58 C59 1.356(17) . ?
C59 C60 1.422(16) . ?
C61 C66 1.352(15) . ?
C61 C62 1.366(16) . ?
C62 C63 1.376(18) . ?
C63 C64 1.378(19) . ?
C64 C65 1.416(19) . ?
C65 C66 1.351(17) . ?
C67 C72 1.379(16) . ?
C67 C68 1.396(15) . ?
C68 C69 1.407(15) . ?
C69 C70 1.384(18) . ?
C70 C71 1.343(18) . ?
C71 C72 1.346(16) . ?
N10 O13 1.2218 . ?
N10 O11 1.2310 . ?
N10 O12 1.2473 . ?
N20 O22 1.2218 . ?
N20 O21 1.2310 . ?
N20 O23 1.2472 . ?
N30 O32 1.2220 . ?
N30 O31 1.2309 . ?
N30 O33 1.2472 . ?
N40 O41 1.2219 . ?
N40 O43 1.2309 . ?
N40 O42 1.2472 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N3T Pt1 P1 C1 118.6(5) . . . . ?
N4C Pt1 P1 C1 106(4) . . . . ?
P2 Pt1 P1 C1 -62.9(4) . . . . ?
N3T Pt1 P1 C7 2.4(5) . . . . ?
N4C Pt1 P1 C7 -11(4) . . . . ?
P2 Pt1 P1 C7 -179.1(5) . . . . ?
N3T Pt1 P1 C13 -114.8(5) . . . . ?
N4C Pt1 P1 C13 -128(4) . . . . ?
P2 Pt1 P1 C13 63.7(4) . . . . ?
N3T Pt1 P2 C19 -90(3) . . . . ?
N4C Pt1 P2 C19 -72.4(5) . . . . ?
P1 Pt1 P2 C19 106.8(4) . . . . ?
N3T Pt1 P2 C25 30(3) . . . . ?
N4C Pt1 P2 C25 47.3(5) . . . . ?
P1 Pt1 P2 C25 -133.5(4) . . . . ?
N3T Pt1 P2 C31 150(3) . . . . ?
N4C Pt1 P2 C31 167.2(6) . . . . ?
P1 Pt1 P2 C31 -13.6(5) . . . . ?
N3T Pt1 N4C C4C 77.5(10) . . . . ?
P1 Pt1 N4C C4C 91(4) . . . . ?
P2 Pt1 N4C C4C -101.0(10) . . . . ?
C6C N1C C2C O2C 172.9(15) . . . . ?
C1C N1C C2C O2C -3(3) . . . . ?
C6C N1C C2C N3C -4(2) . . . . ?
C1C N1C C2C N3C -179.4(14) . . . . ?
C4C N3C C2C O2C -166.4(12) . . . . ?
C4C N3C C2C N1C 10.8(19) . . . . ?
Pt1 N4C C4C N3C -8.7(16) . . . . ?
Pt1 N4C C4C C5C 171.0(9) . . . . ?
C2C N3C C4C N4C 165.9(12) . . . . ?
C2C N3C C4C C5C -13.8(18) . . . . ?
N4C C4C C5C C6C -170.1(13) . . . . ?
N3C C4C C5C C6C 9.6(19) . . . . ?
C4C C5C C6C N1C -3(2) . . . . ?
C2C N1C C6C C5C 1(3) . . . . ?
C1C N1C C6C C5C 175.8(16) . . . . ?
N4C Pt1 N3T C4T -101.7(9) . . . . ?
P1 Pt1 N3T C4T 79.3(9) . . . . ?
P2 Pt1 N3T C4T -84(3) . . . . ?
N4C Pt1 N3T C2T 86.7(8) . . . . ?
P1 Pt1 N3T C2T -92.3(8) . . . . ?
P2 Pt1 N3T C2T 104(3) . . . . ?
C6T N1T C2T O2T 177.9(12) . . . . ?
C1T N1T C2T O2T 5(2) . . . . ?
C6T N1T C2T N3T -3.6(18) . . . . ?
C1T N1T C2T N3T -176.9(11) . . . . ?
C4T N3T C2T O2T 177.0(11) . . . . ?
Pt1 N3T C2T O2T -11.5(14) . . . . ?
C4T N3T C2T N1T -1.6(17) . . . . ?
Pt1 N3T C2T N1T 169.9(8) . . . . ?
C2T N3T C4T O4T -174.5(10) . . . . ?
Pt1 N3T C4T O4T 14.5(15) . . . . ?
C2T N3T C4T C5T 5.0(17) . . . . ?
Pt1 N3T C4T C5T -165.9(8) . . . . ?
O4T C4T C5T C6T 176.2(13) . . . . ?
N3T C4T C5T C6T -3.4(19) . . . . ?
O4T C4T C5T C7T -8.0(19) . . . . ?
N3T C4T C5T C7T 172.4(11) . . . . ?
C4T C5T C6T N1T -2(2) . . . . ?
C7T C5T C6T N1T -177.2(13) . . . . ?
C2T N1T C6T C5T 5(2) . . . . ?
C1T N1T C6T C5T 178.3(13) . . . . ?
C7 P1 C1 C6 -61.7(11) . . . . ?
C13 P1 C1 C6 49.9(12) . . . . ?
Pt1 P1 C1 C6 174.5(9) . . . . ?
C7 P1 C1 C2 108.6(10) . . . . ?
C13 P1 C1 C2 -139.8(9) . . . . ?
Pt1 P1 C1 C2 -15.2(11) . . . . ?
C6 C1 C2 C3 -9(2) . . . . ?
P1 C1 C2 C3 -179.7(11) . . . . ?
C1 C2 C3 C4 4(2) . . . . ?
C2 C3 C4 C5 2(3) . . . . ?
C3 C4 C5 C6 -4(2) . . . . ?
C4 C5 C6 C1 -1(2) . . . . ?
C2 C1 C6 C5 7.9(19) . . . . ?
P1 C1 C6 C5 177.8(10) . . . . ?
C1 P1 C7 C12 132.7(11) . . . . ?
C13 P1 C7 C12 15.1(12) . . . . ?
Pt1 P1 C7 C12 -104.5(10) . . . . ?
C1 P1 C7 C8 -45.2(11) . . . . ?
C13 P1 C7 C8 -162.8(10) . . . . ?
Pt1 P1 C7 C8 77.6(10) . . . . ?
C12 C7 C8 C9 1.8(19) . . . . ?
P1 C7 C8 C9 179.8(10) . . . . ?
C7 C8 C9 C10 0(2) . . . . ?
C8 C9 C10 C11 -2(3) . . . . ?
C9 C10 C11 C12 2(2) . . . . ?
C8 C7 C12 C11 -1(2) . . . . ?
P1 C7 C12 C11 -179.1(11) . . . . ?
C10 C11 C12 C7 -1(2) . . . . ?
C1 P1 C13 C18 171.9(9) . . . . ?
C7 P1 C13 C18 -78.5(10) . . . . ?
Pt1 P1 C13 C18 44.9(10) . . . . ?
C1 P1 C13 C14 -9.0(11) . . . . ?
C7 P1 C13 C14 100.6(10) . . . . ?
Pt1 P1 C13 C14 -136.0(9) . . . . ?
C18 C13 C14 C15 0.3(18) . . . . ?
P1 C13 C14 C15 -178.8(9) . . . . ?
C13 C14 C15 C16 3.0(19) . . . . ?
C14 C15 C16 C17 -4(2) . . . . ?
C15 C16 C17 C18 2(2) . . . . ?
C14 C13 C18 C17 -2.4(18) . . . . ?
P1 C13 C18 C17 176.7(9) . . . . ?
C16 C17 C18 C13 1.6(19) . . . . ?
C25 P2 C19 C24 66.2(12) . . . . ?
C31 P2 C19 C24 -43.0(12) . . . . ?
Pt1 P2 C19 C24 -175.3(9) . . . . ?
C25 P2 C19 C20 -112.4(10) . . . . ?
C31 P2 C19 C20 138.4(10) . . . . ?
Pt1 P2 C19 C20 6.2(11) . . . . ?
C24 C19 C20 C21 1.7(18) . . . . ?
P2 C19 C20 C21 -179.7(9) . . . . ?
C19 C20 C21 C22 -1.0(19) . . . . ?
C20 C21 C22 C23 -1(2) . . . . ?
C21 C22 C23 C24 2(2) . . . . ?
C22 C23 C24 C19 -1(2) . . . . ?
C20 C19 C24 C23 -0.6(19) . . . . ?
P2 C19 C24 C23 -179.3(10) . . . . ?
C19 P2 C25 C30 166.8(9) . . . . ?
C31 P2 C25 C30 -85.3(10) . . . . ?
Pt1 P2 C25 C30 46.1(10) . . . . ?
C19 P2 C25 C26 -8.4(11) . . . . ?
C31 P2 C25 C26 99.5(10) . . . . ?
Pt1 P2 C25 C26 -129.1(8) . . . . ?
C30 C25 C26 C27 -1.0(16) . . . . ?
P2 C25 C26 C27 174.3(9) . . . . ?
C25 C26 C27 C28 2(2) . . . . ?
C26 C27 C28 C29 1(3) . . . . ?
C27 C28 C29 C30 -4(3) . . . . ?
C28 C29 C30 C25 5(2) . . . . ?
C26 C25 C30 C29 -2.2(18) . . . . ?
P2 C25 C30 C29 -177.5(11) . . . . ?
C19 P2 C31 C32 -40.9(11) . . . . ?
C25 P2 C31 C32 -154.5(10) . . . . ?
Pt1 P2 C31 C32 83.9(10) . . . . ?
C19 P2 C31 C36 139.9(10) . . . . ?
C25 P2 C31 C36 26.3(11) . . . . ?
Pt1 P2 C31 C36 -95.3(10) . . . . ?
C36 C31 C32 C33 -3.4(18) . . . . ?
P2 C31 C32 C33 177.4(10) . . . . ?
C31 C32 C33 C34 4(2) . . . . ?
C32 C33 C34 C35 -3(2) . . . . ?
C33 C34 C35 C36 2(3) . . . . ?
C32 C31 C36 C35 2.0(17) . . . . ?
P2 C31 C36 C35 -178.8(9) . . . . ?
C34 C35 C36 C31 -1(2) . . . . ?
N3U Pt2 P3 C49 -125.0(6) . . . . ?
N4D Pt2 P3 C49 -118(4) . . . . ?
P4 Pt2 P3 C49 56.1(5) . . . . ?
N3U Pt2 P3 C37 108.4(5) . . . . ?
N4D Pt2 P3 C37 116(4) . . . . ?
P4 Pt2 P3 C37 -70.5(5) . . . . ?
N3U Pt2 P3 C43 -5.6(6) . . . . ?
N4D Pt2 P3 C43 2(4) . . . . ?
P4 Pt2 P3 C43 175.6(6) . . . . ?
N3U Pt2 P4 C61 59(3) . . . . ?
N4D Pt2 P4 C61 47.5(5) . . . . ?
P3 Pt2 P4 C61 -132.1(5) . . . . ?
N3U Pt2 P4 C67 -180(100) . . . . ?
N4D Pt2 P4 C67 168.5(6) . . . . ?
P3 Pt2 P4 C67 -11.0(6) . . . . ?
N3U Pt2 P4 C55 -59(3) . . . . ?
N4D Pt2 P4 C55 -70.6(4) . . . . ?
P3 Pt2 P4 C55 109.8(4) . . . . ?
N3U Pt2 N4D C4D 77.0(10) . . . . ?
P4 Pt2 N4D C4D -104.2(10) . . . . ?
P3 Pt2 N4D C4D 70(4) . . . . ?
C4D N3D C2D O2D -174.7(11) . . . . ?
C4D N3D C2D N1D 5.0(18) . . . . ?
C6D N1D C2D O2D -177.1(11) . . . . ?
C1D N1D C2D O2D 0.7(19) . . . . ?
C6D N1D C2D N3D 3.1(17) . . . . ?
C1D N1D C2D N3D -179.0(10) . . . . ?
Pt2 N4D C4D N3D -6.3(16) . . . . ?
Pt2 N4D C4D C5D 170.6(8) . . . . ?
C2D N3D C4D N4D 168.2(12) . . . . ?
C2D N3D C4D C5D -9.0(17) . . . . ?
N4D C4D C5D C6D -172.5(11) . . . . ?
N3D C4D C5D C6D 4.6(16) . . . . ?
C4D C5D C6D N1D 2.8(19) . . . . ?
C2D N1D C6D C5D -7.1(19) . . . . ?
C1D N1D C6D C5D 175.1(12) . . . . ?
N4D Pt2 N3U C2U -99.5(8) . . . . ?
P4 Pt2 N3U C2U -111(3) . . . . ?
P3 Pt2 N3U C2U 79.9(8) . . . . ?
N4D Pt2 N3U C4U 85.1(8) . . . . ?
P4 Pt2 N3U C4U 73(3) . . . . ?
P3 Pt2 N3U C4U -95.5(8) . . . . ?
C4U N3U C2U O2U -176.8(11) . . . . ?
Pt2 N3U C2U O2U 8.3(15) . . . . ?
C4U N3U C2U N1U 3.8(17) . . . . ?
Pt2 N3U C2U N1U -171.1(8) . . . . ?
C6U N1U C2U O2U -178.8(11) . . . . ?
C1U N1U C2U O2U -2.9(18) . . . . ?
C6U N1U C2U N3U 0.5(16) . . . . ?
C1U N1U C2U N3U 176.5(10) . . . . ?
C2U N3U C4U O4U 172.8(10) . . . . ?
Pt2 N3U C4U O4U -12.1(15) . . . . ?
C2U N3U C4U C5U -4.9(16) . . . . ?
Pt2 N3U C4U C5U 170.2(7) . . . . ?
O4U C4U C5U C6U -175.9(11) . . . . ?
N3U C4U C5U C6U 1.7(16) . . . . ?
O4U C4U C5U C7U 5.1(18) . . . . ?
N3U C4U C5U C7U -177.3(10) . . . . ?
C4U C5U C6U N1U 2.5(18) . . . . ?
C7U C5U C6U N1U -178.6(11) . . . . ?
C2U N1U C6U C5U -3.6(18) . . . . ?
C1U N1U C6U C5U -179.4(10) . . . . ?
C49 P3 C37 C38 -138.1(10) . . . . ?
C43 P3 C37 C38 110.2(11) . . . . ?
Pt2 P3 C37 C38 -11.4(12) . . . . ?
C49 P3 C37 C42 49.7(13) . . . . ?
C43 P3 C37 C42 -62.0(13) . . . . ?
Pt2 P3 C37 C42 176.5(10) . . . . ?
C42 C37 C38 C39 -3(2) . . . . ?
P3 C37 C38 C39 -174.7(10) . . . . ?
C37 C38 C39 C40 3(2) . . . . ?
C38 C39 C40 C41 -0.7(19) . . . . ?
C39 C40 C41 C42 -1(3) . . . . ?
C40 C41 C42 C37 1(3) . . . . ?
C38 C37 C42 C41 1(3) . . . . ?
P3 C37 C42 C41 173.0(14) . . . . ?
C49 P3 C43 C48 19.0(13) . . . . ?
C37 P3 C43 C48 134.9(11) . . . . ?
Pt2 P3 C43 C48 -103.8(11) . . . . ?
C49 P3 C43 C44 -158.2(11) . . . . ?
C37 P3 C43 C44 -42.2(12) . . . . ?
Pt2 P3 C43 C44 79.1(11) . . . . ?
C48 C43 C44 C45 4(2) . . . . ?
P3 C43 C44 C45 -179.0(10) . . . . ?
C43 C44 C45 C46 -1(2) . . . . ?
C44 C45 C46 C47 -2(2) . . . . ?
C45 C46 C47 C48 2(2) . . . . ?
C44 C43 C48 C47 -4(2) . . . . ?
P3 C43 C48 C47 179.2(12) . . . . ?
C46 C47 C48 C43 1(2) . . . . ?
C37 P3 C49 C50 -7.4(14) . . . . ?
C43 P3 C49 C50 101.0(12) . . . . ?
Pt2 P3 C49 C50 -135.0(11) . . . . ?
C37 P3 C49 C54 172.1(10) . . . . ?
C43 P3 C49 C54 -79.5(11) . . . . ?
Pt2 P3 C49 C54 44.5(11) . . . . ?
C54 C49 C50 C51 4(2) . . . . ?
P3 C49 C50 C51 -176.6(12) . . . . ?
C49 C50 C51 C52 -6(3) . . . . ?
C50 C51 C52 C53 7(3) . . . . ?
C51 C52 C53 C54 -6(3) . . . . ?
C52 C53 C54 C49 4(2) . . . . ?
C50 C49 C54 C53 -3(2) . . . . ?
P3 C49 C54 C53 177.9(11) . . . . ?
C61 P4 C55 C60 67.7(10) . . . . ?
C67 P4 C55 C60 -40.4(11) . . . . ?
Pt2 P4 C55 C60 -172.8(8) . . . . ?
C61 P4 C55 C56 -114.9(10) . . . . ?
C67 P4 C55 C56 136.9(9) . . . . ?
Pt2 P4 C55 C56 4.5(10) . . . . ?
C60 C55 C56 C57 -0.4(17) . . . . ?
P4 C55 C56 C57 -177.7(8) . . . . ?
C55 C56 C57 C58 -0.7(18) . . . . ?
C56 C57 C58 C59 2(2) . . . . ?
C57 C58 C59 C60 -2(2) . . . . ?
C56 C55 C60 C59 0.1(17) . . . . ?
P4 C55 C60 C59 177.5(9) . . . . ?
C58 C59 C60 C55 1.1(18) . . . . ?
C67 P4 C61 C66 -86.7(10) . . . . ?
C55 P4 C61 C66 164.6(10) . . . . ?
Pt2 P4 C61 C66 46.1(10) . . . . ?
C67 P4 C61 C62 94.6(11) . . . . ?
C55 P4 C61 C62 -14.2(12) . . . . ?
Pt2 P4 C61 C62 -132.7(10) . . . . ?
C66 C61 C62 C63 -2(2) . . . . ?
P4 C61 C62 C63 177.0(12) . . . . ?
C61 C62 C63 C64 0(2) . . . . ?
C62 C63 C64 C65 0(2) . . . . ?
C63 C64 C65 C66 3(2) . . . . ?
C64 C65 C66 C61 -5(2) . . . . ?
C62 C61 C66 C65 4.6(19) . . . . ?
P4 C61 C66 C65 -174.3(11) . . . . ?
C61 P4 C67 C72 23.7(12) . . . . ?
C55 P4 C67 C72 135.8(10) . . . . ?
Pt2 P4 C67 C72 -100.9(10) . . . . ?
C61 P4 C67 C68 -154.6(10) . . . . ?
C55 P4 C67 C68 -42.4(10) . . . . ?
Pt2 P4 C67 C68 80.9(10) . . . . ?
C72 C67 C68 C69 -1.1(17) . . . . ?
P4 C67 C68 C69 177.2(8) . . . . ?
C67 C68 C69 C70 -0.6(18) . . . . ?
C68 C69 C70 C71 2(2) . . . . ?
C69 C70 C71 C72 -1(2) . . . . ?
C70 C71 C72 C67 -1(2) . . . . ?
C68 C67 C72 C71 1.9(19) . . . . ?
P4 C67 C72 C71 -176.3(10) . . . . ?
