#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:22:55 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179107 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/69/4306917.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_4306917
loop_
_publ_author_name
'Sean E. Durran'
'Mark R. J. Elsegood'
'Shelly R. Hammond'
'Martin B. Smith'
_publ_section_title
;
Coordination Studies of a New Unsymmetrical
κ4-PNN'N''-Tetradentate Ligand: Stepwise Formation and
Structural Characterization
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2755
_journal_page_last               2766
_journal_paper_doi               10.1021/ic061196s
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C40 H42 N3 O4 P Pt'
_chemical_formula_weight         854.83
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.717(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9918(4)
_cell_length_b                   20.1329(8)
_cell_length_c                   16.9331(6)
_cell_measurement_reflns_used    15265
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.71
_cell_measurement_theta_min      2.27
_cell_volume                     3669.2(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.899
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_av_sigmaI/netI    0.0652
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            30665
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         29.10
_diffrn_reflns_theta_min         1.59
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.912
_exptl_absorpt_correction_T_max  0.573
_exptl_absorpt_correction_T_min  0.297
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v.2.08 (Sheldrick, G.M., 2002)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1712
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.539
_refine_diff_density_min         -0.851
_refine_diff_density_rms         0.107
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.009(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.869
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     885
_refine_ls_number_reflns         16450
_refine_ls_number_restraints     63
_refine_ls_restrained_S_all      0.869
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0282
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0469
_refine_ls_wR_factor_ref         0.0503
_reflns_number_gt                14266
_reflns_number_total             16450
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic061196ssi20060703_115123_4.cif
_cod_data_source_block           5a.Et~2~O
_cod_database_code               4306917
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.313268(14) 0.933680(7) 0.947814(9) 0.01910(4) Uani 1 1 d . . .
P1 P 0.24064(10) 0.94383(6) 1.05810(6) 0.0197(3) Uani 1 1 d . . .
N1 N 0.1359(3) 0.9364(3) 0.87466(19) 0.0179(7) Uani 1 1 d . . .
N2 N 0.3570(3) 0.9269(2) 0.83381(19) 0.0182(8) Uani 1 1 d . . .
C36 C 0.4919(4) 0.9218(3) 1.0130(3) 0.0310(14) Uani 1 1 d . . .
H36A H 0.5344 0.9649 1.0186 0.037 Uiso 1 1 calc R . .
H36B H 0.5369 0.8907 0.9848 0.037 Uiso 1 1 calc R . .
H36C H 0.4892 0.9043 1.0666 0.037 Uiso 1 1 calc R . .
C1 C 0.0978(4) 0.9926(3) 1.0384(2) 0.0188(9) Uani 1 1 d . . .
C2 C 0.0630(4) 1.0274(2) 1.1017(3) 0.0262(11) Uani 1 1 d . . .
H2A H 0.1170 1.0271 1.1532 0.031 Uiso 1 1 calc R . .
C3 C -0.0467(4) 1.0619(2) 1.0919(3) 0.0311(12) Uani 1 1 d . . .
H3A H -0.0671 1.0857 1.1359 0.037 Uiso 1 1 calc R . .
C4 C -0.1282(4) 1.0620(2) 1.0168(3) 0.0295(12) Uani 1 1 d . . .
H4 H -0.2049 1.0852 1.0097 0.035 Uiso 1 1 calc R . .
C5 C -0.0964(4) 1.0282(2) 0.9539(3) 0.0261(11) Uani 1 1 d . . .
H5A H -0.1528 1.0281 0.9033 0.031 Uiso 1 1 calc R . .
C6 C 0.0159(3) 0.9939(3) 0.9612(2) 0.0208(9) Uani 1 1 d . . .
C7 C 0.0350(4) 0.9605(2) 0.8883(3) 0.0208(10) Uani 1 1 d . . .
H7 H -0.0360 0.9563 0.8460 0.025 Uiso 1 1 calc R . .
C8 C 0.1381(4) 0.90203(19) 0.8001(3) 0.0170(9) Uani 1 1 d . . .
C9 C 0.0330(4) 0.8741(2) 0.7517(3) 0.0241(10) Uani 1 1 d . . .
H9 H -0.0460 0.8789 0.7657 0.029 Uiso 1 1 calc R . .
C10 C 0.0441(4) 0.8395(2) 0.6833(3) 0.0250(11) Uani 1 1 d . . .
H10 H -0.0277 0.8217 0.6489 0.030 Uiso 1 1 calc R . .
C11 C 0.1606(4) 0.8308(2) 0.6647(3) 0.0240(10) Uani 1 1 d . . .
H11 H 0.1684 0.8058 0.6184 0.029 Uiso 1 1 calc R . .
C12 C 0.2653(4) 0.8583(2) 0.7131(3) 0.0230(10) Uani 1 1 d . . .
H12 H 0.3446 0.8518 0.7001 0.028 Uiso 1 1 calc R . .
C13 C 0.2543(4) 0.8953(2) 0.7807(3) 0.0187(10) Uani 1 1 d . . .
C14 C 0.4371(4) 0.9615(2) 0.8005(3) 0.0220(10) Uani 1 1 d . . .
O1 O 0.4352(3) 0.96565(14) 0.72618(17) 0.0221(7) Uani 1 1 d . . .
C15 C 0.5372(4) 1.0004(3) 0.8578(3) 0.0250(11) Uani 1 1 d . . .
H15A H 0.4975 1.0278 0.8941 0.030 Uiso 1 1 calc R . .
H15B H 0.5942 0.9688 0.8916 0.030 Uiso 1 1 calc R . .
N3 N 0.6079(3) 1.04297(19) 0.8156(2) 0.0241(9) Uani 1 1 d . . .
H3 H 0.6830 1.0315 0.8101 0.029 Uiso 1 1 calc R . .
C16 C 0.5572(5) 1.1004(3) 0.7848(3) 0.0320(12) Uani 1 1 d . . .
O2 O 0.4674(3) 1.12754(18) 0.7994(2) 0.0425(10) Uani 1 1 d . . .
O3 O 0.6269(3) 1.12631(16) 0.7330(2) 0.0355(9) Uani 1 1 d . . .
C17 C 0.5809(5) 1.1874(3) 0.6954(3) 0.0440(15) Uani 1 1 d . . .
H17A H 0.6508 1.2112 0.6792 0.053 Uiso 1 1 calc R . .
H17B H 0.5513 1.2152 0.7358 0.053 Uiso 1 1 calc R . .
C18 C 0.4771(5) 1.1809(3) 0.6223(3) 0.0336(13) Uani 1 1 d . . .
C19 C 0.4462(5) 1.1205(3) 0.5846(3) 0.0451(15) Uani 1 1 d . . .
H19 H 0.4868 1.0810 0.6066 0.054 Uiso 1 1 calc R . .
C20 C 0.3555(6) 1.1180(3) 0.5144(4) 0.0550(17) Uani 1 1 d . . .
H20 H 0.3335 1.0767 0.4884 0.066 Uiso 1 1 calc R . .
C21 C 0.2970(6) 1.1757(4) 0.4824(4) 0.0621(19) Uani 1 1 d . . .
H21 H 0.2364 1.1737 0.4337 0.075 Uiso 1 1 calc R . .
C22 C 0.3256(5) 1.2363(3) 0.5204(4) 0.0545(17) Uani 1 1 d . . .
H22 H 0.2843 1.2757 0.4987 0.065 Uiso 1 1 calc R . .
C23 C 0.4157(5) 1.2382(3) 0.5905(3) 0.0435(15) Uani 1 1 d . . .
H23 H 0.4360 1.2793 0.6174 0.052 Uiso 1 1 calc R . .
C24 C 0.3411(4) 0.9862(3) 1.1424(3) 0.0251(10) Uani 1 1 d . . .
C25 C 0.4018(5) 1.0434(2) 1.1259(3) 0.0402(14) Uani 1 1 d . . .
H25 H 0.3877 1.0602 1.0723 0.048 Uiso 1 1 calc R . .
C26 C 0.4828(5) 1.0763(3) 1.1868(4) 0.0544(18) Uani 1 1 d . . .
H26 H 0.5227 1.1160 1.1755 0.065 Uiso 1 1 calc R . .
C27 C 0.5049(5) 1.0507(3) 1.2640(4) 0.0564(19) Uani 1 1 d . . .
H27 H 0.5612 1.0726 1.3059 0.068 Uiso 1 1 calc R . .
C28 C 0.4464(5) 0.9940(4) 1.2805(3) 0.0529(15) Uani 1 1 d . . .
H28 H 0.4620 0.9769 1.3339 0.063 Uiso 1 1 calc R . .
C29 C 0.3650(5) 0.9616(3) 1.2204(3) 0.0394(14) Uani 1 1 d . . .
H29 H 0.3251 0.9221 1.2324 0.047 Uiso 1 1 calc R . .
C30 C 0.1993(4) 0.8668(2) 1.1026(3) 0.0249(11) Uani 1 1 d . . .
C31 C 0.2649(4) 0.8101(2) 1.0903(3) 0.0325(12) Uani 1 1 d . . .
H31 H 0.3236 0.8117 1.0561 0.039 Uiso 1 1 calc R . .
C32 C 0.2441(5) 0.7507(3) 1.1284(3) 0.0425(14) Uani 1 1 d . . .
H32 H 0.2883 0.7117 1.1198 0.051 Uiso 1 1 calc R . .
C33 C 0.1603(5) 0.7485(3) 1.1782(3) 0.0404(14) Uani 1 1 d . . .
H33 H 0.1482 0.7083 1.2049 0.048 Uiso 1 1 calc R . .
C34 C 0.0936(5) 0.8042(3) 1.1897(3) 0.0367(13) Uani 1 1 d . . .
H34 H 0.0343 0.8023 1.2234 0.044 Uiso 1 1 calc R . .
C35 C 0.1133(4) 0.8631(3) 1.1521(3) 0.0308(12) Uani 1 1 d . . .
H35 H 0.0673 0.9016 1.1603 0.037 Uiso 1 1 calc R . .
Pt2 Pt -0.089400(14) 0.992487(8) 0.519763(9) 0.01982(4) Uani 1 1 d . . .
P2 P -0.01424(11) 0.97448(5) 0.41194(7) 0.0206(3) Uani 1 1 d . . .
N4 N 0.0868(3) 1.0017(2) 0.5916(2) 0.0182(9) Uani 1 1 d . . .
N5 N -0.1347(3) 1.00919(17) 0.6325(2) 0.0196(9) Uani 1 1 d . . .
C72 C -0.2678(4) 0.9923(4) 0.4506(3) 0.0315(11) Uani 1 1 d . . .
H72A H -0.2658 1.0079 0.3960 0.038 Uiso 1 1 calc R . .
H72B H -0.3205 1.0219 0.4751 0.038 Uiso 1 1 calc R . .
H72C H -0.3014 0.9471 0.4479 0.038 Uiso 1 1 calc R . .
C37 C 0.1350(4) 0.9306(3) 0.4381(2) 0.0219(10) Uani 1 1 d . . .
C38 C 0.1725(4) 0.8902(2) 0.3812(3) 0.0263(11) Uani 1 1 d . . .
H38 H 0.1174 0.8827 0.3311 0.032 Uiso 1 1 calc R . .
C39 C 0.2892(5) 0.8605(2) 0.3959(3) 0.0321(12) Uani 1 1 d . . .
H39 H 0.3130 0.8330 0.3561 0.038 Uiso 1 1 calc R . .
C40 C 0.3700(5) 0.8710(3) 0.4682(3) 0.0341(12) Uani 1 1 d . . .
H40 H 0.4499 0.8510 0.4789 0.041 Uiso 1 1 calc R . .
C41 C 0.3329(4) 0.9114(2) 0.5253(3) 0.0281(11) Uani 1 1 d . . .
H41 H 0.3898 0.9195 0.5746 0.034 Uiso 1 1 calc R . .
C42 C 0.2158(4) 0.9404(2) 0.5134(2) 0.0215(9) Uani 1 1 d . . .
C43 C 0.1918(4) 0.9796(2) 0.5815(3) 0.0227(10) Uani 1 1 d . . .
H43 H 0.2619 0.9898 0.6226 0.027 Uiso 1 1 calc R . .
C44 C 0.0820(4) 1.0410(2) 0.6623(3) 0.0188(10) Uani 1 1 d . . .
C45 C 0.1835(4) 1.0741(2) 0.7074(3) 0.0280(12) Uani 1 1 d . . .
H45 H 0.2624 1.0710 0.6928 0.034 Uiso 1 1 calc R . .
C46 C 0.1699(4) 1.1115(2) 0.7732(3) 0.0309(12) Uani 1 1 d . . .
H46 H 0.2397 1.1333 0.8049 0.037 Uiso 1 1 calc R . .
C47 C 0.0540(4) 1.1171(2) 0.7930(3) 0.0324(12) Uani 1 1 d . . .
H47 H 0.0444 1.1436 0.8378 0.039 Uiso 1 1 calc R . .
C48 C -0.0480(4) 1.0845(2) 0.7479(3) 0.0242(10) Uani 1 1 d . . .
H48 H -0.1270 1.0890 0.7619 0.029 Uiso 1 1 calc R . .
C49 C -0.0357(4) 1.0453(2) 0.6828(3) 0.0198(10) Uani 1 1 d . . .
C50 C -0.2138(4) 0.9766(2) 0.6694(3) 0.0183(10) Uani 1 1 d . . .
O4 O -0.2131(2) 0.97725(15) 0.74310(17) 0.0249(7) Uani 1 1 d . . .
C51 C -0.3133(4) 0.9357(3) 0.6143(3) 0.0265(10) Uani 1 1 d . . .
H51A H -0.3699 0.9659 0.5781 0.032 Uiso 1 1 calc R . .
H51B H -0.2731 0.9062 0.5804 0.032 Uiso 1 1 calc R . .
N6 N -0.3847(3) 0.89588(18) 0.6595(2) 0.0244(9) Uani 1 1 d . . .
H6 H -0.4572 0.9099 0.6671 0.029 Uiso 1 1 calc R . .
C52 C -0.3389(4) 0.8370(3) 0.6899(3) 0.0292(12) Uani 1 1 d . . .
O5 O -0.2520(3) 0.80729(17) 0.6743(2) 0.0392(9) Uani 1 1 d . . .
O6 O -0.4104(3) 0.81446(17) 0.7419(2) 0.0342(9) Uani 1 1 d . . .
C53 C -0.3709(5) 0.7525(3) 0.7802(3) 0.0437(14) Uani 1 1 d . . .
H53A H -0.3397 0.7236 0.7414 0.052 Uiso 1 1 calc R . .
H53B H -0.4432 0.7302 0.7952 0.052 Uiso 1 1 calc R . .
C54 C -0.2702(4) 0.7608(3) 0.8548(3) 0.0328(12) Uani 1 1 d . . .
C55 C -0.2353(6) 0.8217(3) 0.8886(4) 0.0514(17) Uani 1 1 d . . .
H55 H -0.2727 0.8609 0.8634 0.062 Uiso 1 1 calc R . .
C56 C -0.1462(7) 0.8264(4) 0.9588(4) 0.069(2) Uani 1 1 d . . .
H56 H -0.1246 0.8686 0.9827 0.083 Uiso 1 1 calc R . .
C57 C -0.0894(6) 0.7704(4) 0.9936(4) 0.063(2) Uani 1 1 d . . .
H57 H -0.0259 0.7739 1.0408 0.075 Uiso 1 1 calc R . .
C58 C -0.1231(6) 0.7088(3) 0.9612(4) 0.0550(17) Uani 1 1 d . . .
H58 H -0.0847 0.6698 0.9862 0.066 Uiso 1 1 calc R . .
C59 C -0.2138(5) 0.7046(3) 0.8916(3) 0.0405(14) Uani 1 1 d . . .
H59 H -0.2376 0.6622 0.8689 0.049 Uiso 1 1 calc R . .
C60 C -0.1060(4) 0.9248(3) 0.3310(3) 0.0258(11) Uani 1 1 d . . .
C61 C -0.1447(5) 0.8626(3) 0.3494(3) 0.0378(13) Uani 1 1 d . . .
H61 H -0.1229 0.8463 0.4031 0.045 Uiso 1 1 calc R . .
C62 C -0.2159(5) 0.8234(3) 0.2890(4) 0.0511(16) Uani 1 1 d . . .
H62 H -0.2404 0.7800 0.3012 0.061 Uiso 1 1 calc R . .
C63 C -0.2504(5) 0.8479(3) 0.2119(4) 0.0544(17) Uani 1 1 d . . .
H63 H -0.2996 0.8214 0.1711 0.065 Uiso 1 1 calc R . .
C64 C -0.2142(5) 0.9105(3) 0.1935(3) 0.0534(18) Uani 1 1 d . . .
H64 H -0.2389 0.9272 0.1402 0.064 Uiso 1 1 calc R . .
C65 C -0.1418(5) 0.9490(3) 0.2527(3) 0.0376(14) Uani 1 1 d . . .
H65 H -0.1164 0.9921 0.2399 0.045 Uiso 1 1 calc R . .
C66 C 0.0245(4) 1.0497(2) 0.3624(3) 0.0226(10) Uani 1 1 d . . .
C67 C -0.0536(4) 1.1041(2) 0.3597(3) 0.0327(12) Uani 1 1 d . . .
H67 H -0.1231 1.1018 0.3850 0.039 Uiso 1 1 calc R . .
C68 C -0.0308(5) 1.1620(2) 0.3200(3) 0.0377(13) Uani 1 1 d . . .
H68 H -0.0853 1.1989 0.3177 0.045 Uiso 1 1 calc R . .
C69 C 0.0710(5) 1.1656(2) 0.2844(3) 0.0359(13) Uani 1 1 d . . .
H69 H 0.0867 1.2050 0.2573 0.043 Uiso 1 1 calc R . .
C70 C 0.1495(5) 1.1124(3) 0.2878(3) 0.0301(12) Uani 1 1 d . . .
H70 H 0.2200 1.1153 0.2634 0.036 Uiso 1 1 calc R . .
C71 C 0.1270(4) 1.0542(2) 0.3267(3) 0.0256(11) Uani 1 1 d . . .
H71 H 0.1819 1.0175 0.3287 0.031 Uiso 1 1 calc R . .
C73 C 0.0021(6) 1.2033(4) 0.5550(4) 0.084(2) Uani 1 1 d U . .
H73A H 0.0513 1.1914 0.6081 0.127 Uiso 1 1 calc R . .
H73B H 0.0135 1.2506 0.5448 0.127 Uiso 1 1 calc R . .
H73C H 0.0296 1.1767 0.5134 0.127 Uiso 1 1 calc R . .
C74 C -0.1284(6) 1.1902(3) 0.5532(4) 0.0568(17) Uani 1 1 d U . .
H74A H -0.1393 1.1426 0.5647 0.068 Uiso 1 1 calc R . .
H74B H -0.1555 1.2165 0.5960 0.068 Uiso 1 1 calc R . .
O7 O -0.2034(3) 1.20638(17) 0.4780(2) 0.0412(9) Uani 1 1 d U . .
C75 C -0.3288(5) 1.1898(3) 0.4714(4) 0.0511(15) Uani 1 1 d U . .
H75A H -0.3612 1.2113 0.5156 0.061 Uiso 1 1 calc R . .
H75B H -0.3370 1.1411 0.4768 0.061 Uiso 1 1 calc R . .
C76 C -0.4032(5) 1.2119(3) 0.3922(4) 0.0622(18) Uani 1 1 d U . .
H76A H -0.4908 1.2007 0.3890 0.093 Uiso 1 1 calc R . .
H76B H -0.3729 1.1895 0.3485 0.093 Uiso 1 1 calc R . .
H76C H -0.3947 1.2600 0.3868 0.093 Uiso 1 1 calc R . .
C77 C 0.5735(7) 0.7203(6) 1.0454(5) 0.145(4) Uani 1 1 d U . .
H77A H 0.6527 0.6965 1.0529 0.217 Uiso 1 1 calc R . .
H77B H 0.5387 0.7157 1.0940 0.217 Uiso 1 1 calc R . .
H77C H 0.5872 0.7675 1.0356 0.217 Uiso 1 1 calc R . .
C78 C 0.5003(11) 0.6969(8) 0.9871(7) 0.203(6) Uani 1 1 d U . .
H78A H 0.5206 0.6489 0.9892 0.243 Uiso 1 1 calc R . .
H78B H 0.5304 0.7144 0.9399 0.243 Uiso 1 1 calc R . .
O8 O 0.3812(5) 0.6982(3) 0.9645(4) 0.107(2) Uani 1 1 d U . .
C79 C 0.3279(9) 0.7358(4) 0.8965(5) 0.094(3) Uani 1 1 d U . .
H79A H 0.3562 0.7184 0.8486 0.113 Uiso 1 1 calc R . .
H79B H 0.3558 0.7825 0.9047 0.113 Uiso 1 1 calc R . .
C80 C 0.1922(7) 0.7333(4) 0.8824(4) 0.102(3) Uani 1 1 d U . .
H80A H 0.1571 0.7610 0.8357 0.154 Uiso 1 1 calc R . .
H80B H 0.1642 0.7499 0.9301 0.154 Uiso 1 1 calc R . .
H80C H 0.1643 0.6873 0.8719 0.154 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C36 Pt1 N2 96.59(16) . . ?
C36 Pt1 N1 173.7(2) . . ?
N2 Pt1 N1 79.37(12) . . ?
C36 Pt1 P1 91.53(13) . . ?
N2 Pt1 P1 171.86(9) . . ?
N1 Pt1 P1 92.60(9) . . ?
C30 P1 C1 104.8(2) . . ?
C30 P1 C24 103.6(2) . . ?
C1 P1 C24 104.6(2) . . ?
C30 P1 Pt1 116.06(16) . . ?
C1 P1 Pt1 110.16(14) . . ?
C24 P1 Pt1 116.31(15) . . ?
C7 N1 C8 120.7(3) . . ?
C7 N1 Pt1 130.2(3) . . ?
C8 N1 Pt1 109.1(2) . . ?
C14 N2 C13 117.9(4) . . ?
C14 N2 Pt1 130.7(3) . . ?
C13 N2 Pt1 108.0(3) . . ?
C2 C1 C6 118.2(4) . . ?
C2 C1 P1 119.3(3) . . ?
C6 C1 P1 122.4(3) . . ?
C3 C2 C1 122.1(4) . . ?
C2 C3 C4 119.7(5) . . ?
C5 C4 C3 119.3(4) . . ?
C4 C5 C6 122.5(4) . . ?
C5 C6 C1 118.1(4) . . ?
C5 C6 C7 115.4(4) . . ?
C1 C6 C7 126.5(4) . . ?
N1 C7 C6 127.5(4) . . ?
C13 C8 C9 121.0(4) . . ?
C13 C8 N1 115.6(4) . . ?
C9 C8 N1 123.3(4) . . ?
C10 C9 C8 119.6(4) . . ?
C9 C10 C11 119.8(4) . . ?
C12 C11 C10 120.6(4) . . ?
C11 C12 C13 119.9(4) . . ?
C8 C13 C12 119.0(4) . . ?
C8 C13 N2 116.8(4) . . ?
C12 C13 N2 124.2(4) . . ?
O1 C14 N2 125.4(4) . . ?
O1 C14 C15 117.7(4) . . ?
N2 C14 C15 116.8(4) . . ?
N3 C15 C14 112.4(4) . . ?
C16 N3 C15 118.8(4) . . ?
O2 C16 N3 127.4(5) . . ?
O2 C16 O3 123.1(5) . . ?
N3 C16 O3 109.5(4) . . ?
C16 O3 C17 114.7(4) . . ?
O3 C17 C18 115.6(4) . . ?
C19 C18 C23 119.8(5) . . ?
C19 C18 C17 121.8(5) . . ?
C23 C18 C17 118.2(5) . . ?
C18 C19 C20 119.5(6) . . ?
C21 C20 C19 120.1(6) . . ?
C20 C21 C22 120.9(6) . . ?
C23 C22 C21 118.5(6) . . ?
C22 C23 C18 121.1(6) . . ?
C29 C24 C25 119.0(5) . . ?
C29 C24 P1 123.0(4) . . ?
C25 C24 P1 117.9(4) . . ?
C26 C25 C24 120.6(5) . . ?
C27 C26 C25 119.3(6) . . ?
C28 C27 C26 120.4(5) . . ?
C27 C28 C29 120.5(6) . . ?
C28 C29 C24 120.3(6) . . ?
C35 C30 C31 119.1(5) . . ?
C35 C30 P1 123.6(4) . . ?
C31 C30 P1 117.1(4) . . ?
C30 C31 C32 119.6(5) . . ?
C33 C32 C31 120.3(5) . . ?
C32 C33 C34 120.4(5) . . ?
C33 C34 C35 119.7(5) . . ?
C34 C35 C30 120.9(5) . . ?
C72 Pt2 N4 174.8(3) . . ?
C72 Pt2 N5 98.23(15) . . ?
N4 Pt2 N5 79.52(13) . . ?
C72 Pt2 P2 90.12(13) . . ?
N4 Pt2 P2 92.18(10) . . ?
N5 Pt2 P2 171.65(10) . . ?
C66 P2 C60 104.8(2) . . ?
C66 P2 C37 103.3(2) . . ?
C60 P2 C37 104.3(2) . . ?
C66 P2 Pt2 114.22(16) . . ?
C60 P2 Pt2 118.26(15) . . ?
C37 P2 Pt2 110.47(14) . . ?
C43 N4 C44 119.1(4) . . ?
C43 N4 Pt2 130.6(3) . . ?
C44 N4 Pt2 110.3(3) . . ?
C50 N5 C49 117.2(3) . . ?
C50 N5 Pt2 130.0(3) . . ?
C49 N5 Pt2 109.3(3) . . ?
C38 C37 C42 119.2(4) . . ?
C38 C37 P2 119.5(3) . . ?
C42 C37 P2 121.2(4) . . ?
C37 C38 C39 121.5(4) . . ?
C40 C39 C38 119.9(5) . . ?
C39 C40 C41 118.9(5) . . ?
C40 C41 C42 122.7(4) . . ?
C41 C42 C37 117.8(4) . . ?
C41 C42 C43 114.9(4) . . ?
C37 C42 C43 127.2(4) . . ?
N4 C43 C42 127.1(4) . . ?
C45 C44 C49 120.7(4) . . ?
C45 C44 N4 123.9(4) . . ?
C49 C44 N4 115.3(4) . . ?
C46 C45 C44 120.0(4) . . ?
C45 C46 C47 119.8(4) . . ?
C46 C47 C48 120.5(5) . . ?
C49 C48 C47 120.6(4) . . ?
C48 C49 C44 118.3(4) . . ?
C48 C49 N5 125.2(4) . . ?
C44 C49 N5 116.5(4) . . ?
O4 C50 N5 126.1(4) . . ?
O4 C50 C51 118.4(4) . . ?
N5 C50 C51 115.6(4) . . ?
N6 C51 C50 112.0(4) . . ?
C52 N6 C51 119.3(4) . . ?
O5 C52 N6 127.3(5) . . ?
O5 C52 O6 124.2(5) . . ?
N6 C52 O6 108.5(4) . . ?
C52 O6 C53 114.8(4) . . ?
O6 C53 C54 112.7(4) . . ?
C55 C54 C59 118.9(5) . . ?
C55 C54 C53 122.8(5) . . ?
C59 C54 C53 118.3(5) . . ?
C54 C55 C56 120.6(6) . . ?
C57 C56 C55 119.9(6) . . ?
C56 C57 C58 120.6(6) . . ?
C57 C58 C59 119.0(6) . . ?
C54 C59 C58 121.0(5) . . ?
C61 C60 C65 119.5(4) . . ?
C61 C60 P2 118.5(4) . . ?
C65 C60 P2 121.9(4) . . ?
C60 C61 C62 120.0(5) . . ?
C63 C62 C61 119.9(6) . . ?
C62 C63 C64 120.4(5) . . ?
C63 C64 C65 119.9(5) . . ?
C64 C65 C60 120.2(5) . . ?
C67 C66 C71 119.1(4) . . ?
C67 C66 P2 118.1(4) . . ?
C71 C66 P2 122.8(4) . . ?
C66 C67 C68 120.4(5) . . ?
C69 C68 C67 119.8(5) . . ?
C70 C69 C68 120.1(5) . . ?
C69 C70 C71 120.5(5) . . ?
C66 C71 C70 120.0(5) . . ?
O7 C74 C73 111.8(6) . . ?
C75 O7 C74 113.7(5) . . ?
O7 C75 C76 110.5(5) . . ?
C77 C78 O8 133.5(11) . . ?
C78 O8 C79 119.0(10) . . ?
O8 C79 C80 111.0(7) . . ?
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 C36 2.061(4) . ?
Pt1 N2 2.086(3) . ?
Pt1 N1 2.088(3) . ?
Pt1 P1 2.1845(11) . ?
P1 C30 1.822(5) . ?
P1 C1 1.824(4) . ?
P1 C24 1.829(5) . ?
N1 C7 1.274(5) . ?
N1 C8 1.444(5) . ?
N2 C14 1.335(5) . ?
N2 C13 1.440(5) . ?
C1 C2 1.397(6) . ?
C1 C6 1.429(5) . ?
C2 C3 1.372(6) . ?
C3 C4 1.399(6) . ?
C4 C5 1.367(6) . ?
C5 C6 1.399(6) . ?
C6 C7 1.458(6) . ?
C8 C13 1.388(6) . ?
C8 C9 1.392(6) . ?
C9 C10 1.377(6) . ?
C10 C11 1.391(6) . ?
C11 C12 1.385(6) . ?
C12 C13 1.393(6) . ?
C14 O1 1.257(5) . ?
C14 C15 1.527(6) . ?
C15 N3 1.441(5) . ?
N3 C16 1.342(6) . ?
C16 O2 1.198(6) . ?
C16 O3 1.379(6) . ?
O3 C17 1.429(6) . ?
C17 C18 1.509(6) . ?
C18 C19 1.382(7) . ?
C18 C23 1.387(7) . ?
C19 C20 1.389(8) . ?
C20 C21 1.382(9) . ?
C21 C22 1.386(9) . ?
C22 C23 1.384(7) . ?
C24 C29 1.385(6) . ?
C24 C25 1.387(7) . ?
C25 C26 1.387(7) . ?
C26 C27 1.380(8) . ?
C27 C28 1.367(9) . ?
C28 C29 1.376(7) . ?
C30 C35 1.387(6) . ?
C30 C31 1.388(6) . ?
C31 C32 1.401(7) . ?
C32 C33 1.369(8) . ?
C33 C34 1.376(7) . ?
C34 C35 1.384(7) . ?
Pt2 C72 2.070(4) . ?
Pt2 N4 2.076(3) . ?
Pt2 N5 2.096(3) . ?
Pt2 P2 2.1818(12) . ?
P2 C66 1.823(5) . ?
P2 C60 1.826(4) . ?
P2 C37 1.836(4) . ?
N4 C43 1.280(5) . ?
N4 C44 1.445(5) . ?
N5 C50 1.340(5) . ?
N5 C49 1.435(5) . ?
C37 C38 1.386(6) . ?
C37 C42 1.413(5) . ?
C38 C39 1.391(6) . ?
C39 C40 1.376(7) . ?
C40 C41 1.386(6) . ?
C41 C42 1.391(6) . ?
C42 C43 1.464(6) . ?
C44 C45 1.388(6) . ?
C44 C49 1.409(6) . ?
C45 C46 1.378(6) . ?
C46 C47 1.386(7) . ?
C47 C48 1.387(6) . ?
C48 C49 1.385(6) . ?
C50 O4 1.246(5) . ?
C50 C51 1.527(6) . ?
C51 N6 1.445(5) . ?
N6 C52 1.348(6) . ?
C52 O5 1.201(5) . ?
C52 O6 1.371(6) . ?
O6 C53 1.432(6) . ?
C53 C54 1.510(7) . ?
C54 C55 1.374(7) . ?
C54 C59 1.377(7) . ?
C55 C56 1.381(8) . ?
C56 C57 1.364(9) . ?
C57 C58 1.377(8) . ?
C58 C59 1.382(7) . ?
C60 C61 1.378(7) . ?
C60 C65 1.392(6) . ?
C61 C62 1.398(7) . ?
C62 C63 1.374(8) . ?
C63 C64 1.376(8) . ?
C64 C65 1.384(7) . ?
C66 C67 1.386(6) . ?
C66 C71 1.386(6) . ?
C67 C68 1.394(6) . ?
C68 C69 1.377(7) . ?
C69 C70 1.369(7) . ?
C70 C71 1.391(6) . ?
C73 C74 1.453(8) . ?
C74 O7 1.408(6) . ?
O7 C75 1.401(6) . ?
C75 C76 1.490(7) . ?
C77 C78 1.234(11) . ?
C78 O8 1.287(11) . ?
O8 C79 1.403(9) . ?
C79 C80 1.463(10) . ?
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
N3 H3 O4 0.88 2.08 2.848(5) 145.8 1_655
N6 H6 O1 0.88 2.03 2.842(5) 152.1 1_455
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
C36 Pt1 P1 C30 -87.4(2) . . . . ?
N1 Pt1 P1 C30 87.8(2) . . . . ?
C36 Pt1 P1 C1 153.7(2) . . . . ?
N1 Pt1 P1 C1 -31.1(2) . . . . ?
C36 Pt1 P1 C24 35.0(3) . . . . ?
N1 Pt1 P1 C24 -149.8(2) . . . . ?
N2 Pt1 N1 C7 -155.6(5) . . . . ?
P1 Pt1 N1 C7 23.1(5) . . . . ?
N2 Pt1 N1 C8 26.9(3) . . . . ?
P1 Pt1 N1 C8 -154.4(3) . . . . ?
C36 Pt1 N2 C14 -55.5(4) . . . . ?
N1 Pt1 N2 C14 129.4(4) . . . . ?
C36 Pt1 N2 C13 146.6(3) . . . . ?
N1 Pt1 N2 C13 -28.5(3) . . . . ?
C30 P1 C1 C2 80.0(4) . . . . ?
C24 P1 C1 C2 -28.7(4) . . . . ?
Pt1 P1 C1 C2 -154.5(3) . . . . ?
C30 P1 C1 C6 -96.6(4) . . . . ?
C24 P1 C1 C6 154.7(4) . . . . ?
Pt1 P1 C1 C6 29.0(4) . . . . ?
C6 C1 C2 C3 0.4(7) . . . . ?
P1 C1 C2 C3 -176.3(4) . . . . ?
C1 C2 C3 C4 1.0(7) . . . . ?
C2 C3 C4 C5 -0.9(7) . . . . ?
C3 C4 C5 C6 -0.7(8) . . . . ?
C4 C5 C6 C1 2.2(7) . . . . ?
C4 C5 C6 C7 179.9(4) . . . . ?
C2 C1 C6 C5 -2.0(7) . . . . ?
P1 C1 C6 C5 174.6(4) . . . . ?
C2 C1 C6 C7 -179.4(5) . . . . ?
P1 C1 C6 C7 -2.8(7) . . . . ?
C8 N1 C7 C6 177.2(4) . . . . ?
Pt1 N1 C7 C6 -0.1(8) . . . . ?
C5 C6 C7 N1 166.6(5) . . . . ?
C1 C6 C7 N1 -15.9(8) . . . . ?
C7 N1 C8 C13 161.5(4) . . . . ?
Pt1 N1 C8 C13 -20.6(5) . . . . ?
C7 N1 C8 C9 -21.6(7) . . . . ?
Pt1 N1 C8 C9 156.2(3) . . . . ?
C13 C8 C9 C10 -0.3(6) . . . . ?
N1 C8 C9 C10 -177.0(4) . . . . ?
C8 C9 C10 C11 2.3(7) . . . . ?
C9 C10 C11 C12 -1.9(7) . . . . ?
C10 C11 C12 C13 -0.4(7) . . . . ?
C9 C8 C13 C12 -1.9(6) . . . . ?
N1 C8 C13 C12 175.0(4) . . . . ?
C9 C8 C13 N2 179.0(4) . . . . ?
N1 C8 C13 N2 -4.0(6) . . . . ?
C11 C12 C13 C8 2.3(6) . . . . ?
C11 C12 C13 N2 -178.8(4) . . . . ?
C14 N2 C13 C8 -134.7(4) . . . . ?
Pt1 N2 C13 C8 26.5(4) . . . . ?
C14 N2 C13 C12 46.3(6) . . . . ?
Pt1 N2 C13 C12 -152.5(4) . . . . ?
C13 N2 C14 O1 -4.8(7) . . . . ?
Pt1 N2 C14 O1 -160.9(3) . . . . ?
C13 N2 C14 C15 173.8(4) . . . . ?
Pt1 N2 C14 C15 17.7(6) . . . . ?
O1 C14 C15 N3 6.6(6) . . . . ?
N2 C14 C15 N3 -172.1(4) . . . . ?
C14 C15 N3 C16 77.3(5) . . . . ?
C15 N3 C16 O2 14.3(8) . . . . ?
C15 N3 C16 O3 -167.3(4) . . . . ?
O2 C16 O3 C17 -2.3(7) . . . . ?
N3 C16 O3 C17 179.2(4) . . . . ?
C16 O3 C17 C18 -81.8(6) . . . . ?
O3 C17 C18 C19 -12.8(8) . . . . ?
O3 C17 C18 C23 170.3(5) . . . . ?
C23 C18 C19 C20 1.1(8) . . . . ?
C17 C18 C19 C20 -175.7(5) . . . . ?
C18 C19 C20 C21 0.3(9) . . . . ?
C19 C20 C21 C22 -1.4(10) . . . . ?
C20 C21 C22 C23 1.1(10) . . . . ?
C21 C22 C23 C18 0.4(9) . . . . ?
C19 C18 C23 C22 -1.5(8) . . . . ?
C17 C18 C23 C22 175.5(5) . . . . ?
C30 P1 C24 C29 -3.9(5) . . . . ?
C1 P1 C24 C29 105.7(4) . . . . ?
Pt1 P1 C24 C29 -132.6(4) . . . . ?
C30 P1 C24 C25 171.9(4) . . . . ?
C1 P1 C24 C25 -78.5(4) . . . . ?
Pt1 P1 C24 C25 43.3(4) . . . . ?
C29 C24 C25 C26 -1.6(8) . . . . ?
P1 C24 C25 C26 -177.6(4) . . . . ?
C24 C25 C26 C27 1.5(9) . . . . ?
C25 C26 C27 C28 -0.9(9) . . . . ?
C26 C27 C28 C29 0.2(9) . . . . ?
C27 C28 C29 C24 -0.3(9) . . . . ?
C25 C24 C29 C28 0.9(8) . . . . ?
P1 C24 C29 C28 176.7(4) . . . . ?
C1 P1 C30 C35 -33.7(4) . . . . ?
C24 P1 C30 C35 75.7(4) . . . . ?
Pt1 P1 C30 C35 -155.5(3) . . . . ?
C1 P1 C30 C31 151.0(3) . . . . ?
C24 P1 C30 C31 -99.6(4) . . . . ?
Pt1 P1 C30 C31 29.2(4) . . . . ?
C35 C30 C31 C32 -0.6(7) . . . . ?
P1 C30 C31 C32 174.9(4) . . . . ?
C30 C31 C32 C33 -0.5(8) . . . . ?
C31 C32 C33 C34 1.5(8) . . . . ?
C32 C33 C34 C35 -1.3(8) . . . . ?
C33 C34 C35 C30 0.2(7) . . . . ?
C31 C30 C35 C34 0.8(7) . . . . ?
P1 C30 C35 C34 -174.4(3) . . . . ?
C72 Pt2 P2 C66 91.5(3) . . . . ?
N4 Pt2 P2 C66 -83.8(2) . . . . ?
C72 Pt2 P2 C60 -32.6(3) . . . . ?
N4 Pt2 P2 C60 152.1(2) . . . . ?
C72 Pt2 P2 C37 -152.7(3) . . . . ?
N4 Pt2 P2 C37 32.0(2) . . . . ?
N5 Pt2 N4 C43 156.1(5) . . . . ?
P2 Pt2 N4 C43 -22.9(4) . . . . ?
N5 Pt2 N4 C44 -25.1(3) . . . . ?
P2 Pt2 N4 C44 155.8(3) . . . . ?
C72 Pt2 N5 C50 52.8(4) . . . . ?
N4 Pt2 N5 C50 -132.0(4) . . . . ?
C72 Pt2 N5 C49 -149.6(3) . . . . ?
N4 Pt2 N5 C49 25.6(3) . . . . ?
C66 P2 C37 C38 -84.9(4) . . . . ?
C60 P2 C37 C38 24.4(4) . . . . ?
Pt2 P2 C37 C38 152.5(3) . . . . ?
C66 P2 C37 C42 91.2(4) . . . . ?
C60 P2 C37 C42 -159.4(4) . . . . ?
Pt2 P2 C37 C42 -31.3(4) . . . . ?
C42 C37 C38 C39 -1.7(7) . . . . ?
P2 C37 C38 C39 174.5(4) . . . . ?
C37 C38 C39 C40 0.0(8) . . . . ?
C38 C39 C40 C41 0.0(8) . . . . ?
C39 C40 C41 C42 1.7(8) . . . . ?
C40 C41 C42 C37 -3.4(7) . . . . ?
C40 C41 C42 C43 178.1(4) . . . . ?
C38 C37 C42 C41 3.3(7) . . . . ?
P2 C37 C42 C41 -172.9(4) . . . . ?
C38 C37 C42 C43 -178.4(4) . . . . ?
P2 C37 C42 C43 5.5(7) . . . . ?
C44 N4 C43 C42 -178.6(4) . . . . ?
Pt2 N4 C43 C42 0.0(7) . . . . ?
C41 C42 C43 N4 -167.2(5) . . . . ?
C37 C42 C43 N4 14.4(8) . . . . ?
C43 N4 C44 C45 20.9(7) . . . . ?
Pt2 N4 C44 C45 -158.0(4) . . . . ?
C43 N4 C44 C49 -160.5(4) . . . . ?
Pt2 N4 C44 C49 20.6(5) . . . . ?
C49 C44 C45 C46 0.3(7) . . . . ?
N4 C44 C45 C46 178.8(4) . . . . ?
C44 C45 C46 C47 -1.5(7) . . . . ?
C45 C46 C47 C48 1.2(8) . . . . ?
C46 C47 C48 C49 0.5(7) . . . . ?
C47 C48 C49 C44 -1.7(7) . . . . ?
C47 C48 C49 N5 179.7(4) . . . . ?
C45 C44 C49 C48 1.3(6) . . . . ?
N4 C44 C49 C48 -177.3(4) . . . . ?
C45 C44 C49 N5 -179.9(4) . . . . ?
N4 C44 C49 N5 1.4(6) . . . . ?
C50 N5 C49 C48 -42.9(6) . . . . ?
Pt2 N5 C49 C48 156.3(4) . . . . ?
C50 N5 C49 C44 138.5(4) . . . . ?
Pt2 N5 C49 C44 -22.3(4) . . . . ?
C49 N5 C50 O4 3.7(6) . . . . ?
Pt2 N5 C50 O4 159.8(3) . . . . ?
C49 N5 C50 C51 -176.7(4) . . . . ?
Pt2 N5 C50 C51 -20.6(5) . . . . ?
O4 C50 C51 N6 -7.4(6) . . . . ?
N5 C50 C51 N6 172.9(4) . . . . ?
C50 C51 N6 C52 -82.4(5) . . . . ?
C51 N6 C52 O5 -12.3(7) . . . . ?
C51 N6 C52 O6 169.1(4) . . . . ?
O5 C52 O6 C53 2.5(7) . . . . ?
N6 C52 O6 C53 -178.8(4) . . . . ?
C52 O6 C53 C54 84.6(5) . . . . ?
O6 C53 C54 C55 9.6(8) . . . . ?
O6 C53 C54 C59 -172.3(5) . . . . ?
C59 C54 C55 C56 -0.8(10) . . . . ?
C53 C54 C55 C56 177.3(6) . . . . ?
C54 C55 C56 C57 2.2(11) . . . . ?
C55 C56 C57 C58 -2.4(12) . . . . ?
C56 C57 C58 C59 1.3(11) . . . . ?
C55 C54 C59 C58 -0.2(9) . . . . ?
C53 C54 C59 C58 -178.5(5) . . . . ?
C57 C58 C59 C54 0.0(10) . . . . ?
C66 P2 C60 C61 177.0(4) . . . . ?
C37 P2 C60 C61 68.8(4) . . . . ?
Pt2 P2 C60 C61 -54.4(4) . . . . ?
C66 P2 C60 C65 -5.6(5) . . . . ?
C37 P2 C60 C65 -113.9(4) . . . . ?
Pt2 P2 C60 C65 123.0(4) . . . . ?
C65 C60 C61 C62 2.1(8) . . . . ?
P2 C60 C61 C62 179.5(4) . . . . ?
C60 C61 C62 C63 -2.0(9) . . . . ?
C61 C62 C63 C64 0.7(9) . . . . ?
C62 C63 C64 C65 0.5(9) . . . . ?
C63 C64 C65 C60 -0.4(9) . . . . ?
C61 C60 C65 C64 -0.9(8) . . . . ?
P2 C60 C65 C64 -178.2(4) . . . . ?
C60 P2 C66 C67 92.9(4) . . . . ?
C37 P2 C66 C67 -158.1(4) . . . . ?
Pt2 P2 C66 C67 -38.1(4) . . . . ?
C60 P2 C66 C71 -86.0(4) . . . . ?
C37 P2 C66 C71 23.0(4) . . . . ?
Pt2 P2 C66 C71 143.0(3) . . . . ?
C71 C66 C67 C68 1.3(7) . . . . ?
P2 C66 C67 C68 -177.7(4) . . . . ?
C66 C67 C68 C69 -0.9(8) . . . . ?
C67 C68 C69 C70 0.0(8) . . . . ?
C68 C69 C70 C71 0.5(8) . . . . ?
C67 C66 C71 C70 -0.8(7) . . . . ?
P2 C66 C71 C70 178.1(3) . . . . ?
C69 C70 C71 C66 -0.1(7) . . . . ?
C73 C74 O7 C75 175.3(5) . . . . ?
C74 O7 C75 C76 176.8(5) . . . . ?
C77 C78 O8 C79 109(2) . . . . ?
C78 O8 C79 C80 -177.7(9) . . . . ?
