#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:08:49 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179777 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/73/7007320.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_7007320
loop_
_publ_author_name
'Ziessel, Raymond'
'Diring, Stéphane'
'Retailleau, Pascal'
_publ_section_title
;
 Terpyridine-platinum(II) acetylide complexes bearing pendent
 coordination units.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3285
_journal_page_last               3290
_journal_paper_doi               10.1039/b603603a
_journal_year                    2006
_chemical_formula_moiety         'C60 H60 N6 O2 Pt, (F6 P)'
_chemical_formula_sum            'C60 H60 F6 N6 O2 P Pt'
_chemical_formula_weight         1237.20
_chemical_name_common
'dibutoxyphenylacetylide-terpyridine Platinum(ii) complex'
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 104.4620(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8334(3)
_cell_length_b                   33.5765(9)
_cell_length_c                   16.8022(5)
_cell_measurement_reflns_used    9077
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.407
_cell_measurement_theta_min      0.998
_cell_volume                     5918.1(3)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) COLLECT (Hooft, 1998)'
_computing_data_collection
'DENZO (Otwinowski & Minor, 1997) COLLECT (Hooft, 1998)'
_computing_data_reduction        'HKL package (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 1980-2004)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .991
_diffrn_measured_fraction_theta_max .991
_diffrn_measurement_device_type  'Nonius kappa-CCD diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0350
_diffrn_reflns_av_sigmaI/netI    0.0522
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16893
_diffrn_reflns_theta_full        24.40
_diffrn_reflns_theta_max         24.40
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    2.462
_exptl_absorpt_correction_T_max  0.782
_exptl_absorpt_correction_T_min  0.593
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'HKL package (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2500
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.071
_refine_diff_density_min         -.696
_refine_diff_density_rms         .105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     784
_refine_ls_number_reflns         9658
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0763
_refine_ls_R_factor_gt           0.0470
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0493P)²+6.2497P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1055
_refine_ls_wR_factor_ref         0.1166
_reflns_number_gt                7013
_reflns_number_total             9658
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b603603a.txt
_cod_data_source_block           sd045
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7007320
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.22442(2) 0.179605(7) 0.180198(16) 0.05371(11) Uani 1 1 d . . .
O1 O -0.1135(4) 0.26647(14) 0.2517(3) 0.0767(14) Uani 1 1 d . . .
O2 O -0.3958(5) 0.14267(16) 0.3317(3) 0.0890(16) Uani 1 1 d . C .
N1 N 0.2639(5) 0.23756(15) 0.1676(3) 0.0541(13) Uani 1 1 d . . .
N2 N 0.3776(4) 0.17379(14) 0.1392(3) 0.0504(12) Uani 1 1 d . . .
N3 N 0.2354(4) 0.11977(16) 0.1779(3) 0.0612(14) Uani 1 1 d . . .
N4 N -0.7443(6) 0.3615(2) 0.4056(4) 0.0836(19) Uani 1 1 d . . .
N5 N -0.8813(4) 0.26959(18) 0.4516(3) 0.0591(14) Uani 1 1 d . . .
N6 N -0.9403(6) 0.1644(2) 0.4620(4) 0.0897(19) Uani 1 1 d . . .
C1 C 0.3712(6) 0.24376(19) 0.1383(4) 0.0556(16) Uani 1 1 d . . .
C2 C 0.4137(6) 0.2814(2) 0.1296(4) 0.0618(17) Uani 1 1 d . . .
H2 H 0.4856 0.2847 0.1094 0.074 Uiso 1 1 calc R . .
C3 C 0.3529(7) 0.3148(2) 0.1500(4) 0.0664(18) Uani 1 1 d . A .
C4 C 0.2437(7) 0.3075(2) 0.1774(4) 0.072(2) Uani 1 1 d . . .
H4 H 0.1976 0.3289 0.1903 0.087 Uiso 1 1 calc R . .
C5 C 0.2032(6) 0.2694(2) 0.1856(4) 0.0641(18) Uani 1 1 d . . .
H5 H 0.1303 0.2657 0.2045 0.077 Uiso 1 1 calc R . .
C6 C 0.4334(5) 0.20708(19) 0.1196(4) 0.0527(15) Uani 1 1 d . . .
C7 C 0.5341(6) 0.2032(2) 0.0835(4) 0.0607(17) Uani 1 1 d . . .
H7 H 0.5743 0.2258 0.0702 0.073 Uiso 1 1 calc R . .
C8 C 0.5759(6) 0.1658(2) 0.0670(4) 0.0630(18) Uani 1 1 d . . .
C9 C 0.5170(5) 0.1324(2) 0.0898(4) 0.0634(18) Uani 1 1 d . . .
H9 H 0.5452 0.1070 0.0806 0.076 Uiso 1 1 calc R . .
C10 C 0.4164(5) 0.13697(19) 0.1262(4) 0.0558(16) Uani 1 1 d . . .
C11 C 0.3365(5) 0.10538(19) 0.1497(4) 0.0597(17) Uani 1 1 d . . .
C12 C 0.3557(6) 0.0659(2) 0.1427(5) 0.073(2) Uani 1 1 d . . .
H12 H 0.4257 0.0574 0.1246 0.087 Uiso 1 1 calc R . .
C13 C 0.2732(6) 0.0375(2) 0.1619(5) 0.083(2) Uani 1 1 d . . .
C14 C 0.1737(7) 0.0527(2) 0.1908(6) 0.094(3) Uani 1 1 d . . .
H14 H 0.1166 0.0351 0.2053 0.113 Uiso 1 1 calc R . .
C15 C 0.1572(6) 0.0923(2) 0.1985(5) 0.075(2) Uani 1 1 d . . .
H15 H 0.0896 0.1011 0.2189 0.090 Uiso 1 1 calc R . .
C16 C 0.0677(6) 0.18585(18) 0.2179(4) 0.0606(17) Uani 1 1 d . . .
C17 C -0.0294(6) 0.1909(2) 0.2389(4) 0.0639(18) Uani 1 1 d . . .
C18 C -0.1441(6) 0.1978(2) 0.2646(4) 0.0617(18) Uani 1 1 d . . .
C19 C -0.2147(6) 0.1656(2) 0.2834(4) 0.0680(19) Uani 1 1 d . . .
H19 H -0.1870 0.1397 0.2783 0.082 Uiso 1 1 calc R . .
C20 C -0.3247(6) 0.1717(2) 0.3093(4) 0.0661(19) Uani 1 1 d . . .
C21 C -0.3669(6) 0.2107(2) 0.3161(4) 0.0632(18) Uani 1 1 d . . .
C22 C -0.2978(6) 0.2426(2) 0.2962(4) 0.0659(18) Uani 1 1 d . . .
H22 H -0.3266 0.2685 0.3003 0.079 Uiso 1 1 calc R . .
C23 C -0.1876(6) 0.2367(2) 0.2706(4) 0.0638(18) Uani 1 1 d . . .
C24 C -0.4768(6) 0.2188(2) 0.3447(4) 0.0704(19) Uani 1 1 d . . .
C25 C -0.5691(6) 0.2273(2) 0.3681(4) 0.072(2) Uani 1 1 d . . .
C26 C -0.7597(8) 0.4000(3) 0.4105(6) 0.103(3) Uani 1 1 d . . .
H26 H -0.7075 0.4165 0.3888 0.123 Uiso 1 1 calc R . .
C27 C -0.8481(8) 0.4176(3) 0.4457(6) 0.099(3) Uani 1 1 d . . .
H27 H -0.8553 0.4452 0.4475 0.119 Uiso 1 1 calc R . .
C28 C -0.9242(7) 0.3937(3) 0.4776(5) 0.089(2) Uani 1 1 d . . .
H28 H -0.9849 0.4046 0.5018 0.106 Uiso 1 1 calc R . .
C29 C -0.9103(6) 0.3527(2) 0.4737(5) 0.076(2) Uani 1 1 d . . .
H29 H -0.9604 0.3356 0.4958 0.091 Uiso 1 1 calc R . .
C30 C -0.8202(6) 0.3381(2) 0.4361(4) 0.0657(18) Uani 1 1 d . . .
C31 C -0.7999(6) 0.2947(2) 0.4293(4) 0.0629(18) Uani 1 1 d . . .
C32 C -0.6963(6) 0.2805(2) 0.4023(4) 0.0668(19) Uani 1 1 d . . .
H32 H -0.6390 0.2984 0.3894 0.080 Uiso 1 1 calc R . .
C33 C -0.6777(6) 0.2404(2) 0.3946(4) 0.0629(18) Uani 1 1 d . . .
C34 C -0.7628(6) 0.2146(2) 0.4163(4) 0.0640(18) Uani 1 1 d . . .
H34 H -0.7530 0.1872 0.4126 0.077 Uiso 1 1 calc R . .
C35 C -0.8645(6) 0.2303(2) 0.4440(4) 0.0633(18) Uani 1 1 d . . .
C36 C -0.9596(6) 0.2031(2) 0.4673(4) 0.0665(18) Uani 1 1 d . . .
C37 C -1.0617(7) 0.2185(3) 0.4926(5) 0.087(2) Uani 1 1 d . . .
H37 H -1.0719 0.2458 0.4971 0.104 Uiso 1 1 calc R . .
C38 C -1.1475(8) 0.1924(3) 0.5109(6) 0.100(3) Uani 1 1 d . . .
H38 H -1.2174 0.2020 0.5277 0.120 Uiso 1 1 calc R . .
C39 C -1.1314(9) 0.1531(3) 0.5048(6) 0.106(3) Uani 1 1 d . . .
H39 H -1.1899 0.1352 0.5166 0.127 Uiso 1 1 calc R . .
C40 C -1.0270(10) 0.1399(3) 0.4809(6) 0.112(3) Uani 1 1 d . . .
H40 H -1.0152 0.1126 0.4776 0.134 Uiso 1 1 calc R . .
C41 C -0.1484(7) 0.3054(2) 0.2645(5) 0.084(2) Uani 1 1 d D . .
H41A H -0.1454 0.3092 0.3222 0.100 Uiso 1 1 calc R . .
H41B H -0.2350 0.3103 0.2329 0.100 Uiso 1 1 calc R . .
C42 C -0.0574(8) 0.3346(2) 0.2383(5) 0.084(2) Uani 1 1 d D . .
H42A H 0.0272 0.3315 0.2744 0.100 Uiso 1 1 calc R . .
H42B H -0.0526 0.3281 0.1829 0.100 Uiso 1 1 calc R . .
C43 C -0.0987(9) 0.3770(2) 0.2408(7) 0.115(3) Uani 1 1 d D . .
H43A H -0.0998 0.3838 0.2968 0.138 Uiso 1 1 calc R . .
H43B H -0.1848 0.3799 0.2067 0.138 Uiso 1 1 calc R . .
C44 C -0.0125(11) 0.4055(3) 0.2114(7) 0.139(4) Uani 1 1 d D . .
H44A H -0.0426 0.4323 0.2141 0.208 Uiso 1 1 calc R . .
H44B H -0.0124 0.3993 0.1557 0.208 Uiso 1 1 calc R . .
H44C H 0.0726 0.4032 0.2457 0.208 Uiso 1 1 calc R . .
C49 C 0.4032(8) 0.3568(2) 0.1439(6) 0.081(2) Uani 1 1 d . . .
C50A C 0.472(2) 0.3671(6) 0.2327(12) 0.147(9) Uani 0.70(3) 1 d P A 1
H501 H 0.5364 0.3474 0.2536 0.221 Uiso 0.70(3) 1 calc PR A 1
H502 H 0.4119 0.3675 0.2660 0.221 Uiso 0.70(3) 1 calc PR A 1
H503 H 0.5115 0.3928 0.2341 0.221 Uiso 0.70(3) 1 calc PR A 1
C51A C 0.3045(16) 0.3854(5) 0.1094(18) 0.158(14) Uani 0.70(3) 1 d P A 1
H511 H 0.3424 0.4111 0.1070 0.236 Uiso 0.70(3) 1 calc PR A 1
H512 H 0.2453 0.3870 0.1432 0.236 Uiso 0.70(3) 1 calc PR A 1
H513 H 0.2605 0.3773 0.0549 0.236 Uiso 0.70(3) 1 calc PR A 1
C52A C 0.508(2) 0.3576(4) 0.0954(13) 0.122(9) Uani 0.70(3) 1 d P A 1
H521 H 0.5731 0.3387 0.1190 0.183 Uiso 0.70(3) 1 calc PR A 1
H522 H 0.5437 0.3838 0.0982 0.183 Uiso 0.70(3) 1 calc PR A 1
H523 H 0.4704 0.3507 0.0390 0.183 Uiso 0.70(3) 1 calc PR A 1
C50B C 0.333(8) 0.3882(11) 0.193(6) 0.23(5) Uani 0.30(3) 1 d P A 2
H504 H 0.2421 0.3869 0.1706 0.348 Uiso 0.30(3) 1 calc PR A 2
H505 H 0.3619 0.4148 0.1863 0.348 Uiso 0.30(3) 1 calc PR A 2
H506 H 0.3529 0.3815 0.2501 0.348 Uiso 0.30(3) 1 calc PR A 2
C51B C 0.383(5) 0.3670(10) 0.052(3) 0.13(2) Uani 0.30(3) 1 d P A 2
H514 H 0.2951 0.3626 0.0242 0.188 Uiso 0.30(3) 1 calc PR A 2
H515 H 0.4362 0.3504 0.0285 0.188 Uiso 0.30(3) 1 calc PR A 2
H516 H 0.4041 0.3944 0.0467 0.188 Uiso 0.30(3) 1 calc PR A 2
C52B C 0.534(4) 0.3627(11) 0.187(4) 0.13(2) Uani 0.30(3) 1 d P A 2
H524 H 0.5579 0.3897 0.1795 0.189 Uiso 0.30(3) 1 calc PR A 2
H525 H 0.5868 0.3449 0.1651 0.189 Uiso 0.30(3) 1 calc PR A 2
H526 H 0.5443 0.3574 0.2442 0.189 Uiso 0.30(3) 1 calc PR A 2
C53 C 0.6804(6) 0.1601(2) 0.0202(5) 0.072(2) Uani 1 1 d . . .
C54 C 0.6177(9) 0.1440(4) -0.0650(6) 0.146(5) Uani 1 1 d . . .
H54A H 0.5552 0.1626 -0.0937 0.219 Uiso 1 1 calc R . .
H54B H 0.5772 0.1190 -0.0599 0.219 Uiso 1 1 calc R . .
H54C H 0.6814 0.1401 -0.0951 0.219 Uiso 1 1 calc R . .
C55 C 0.7783(7) 0.1313(3) 0.0651(6) 0.104(3) Uani 1 1 d . . .
H55A H 0.8174 0.1415 0.1188 0.157 Uiso 1 1 calc R . .
H55B H 0.8422 0.1276 0.0351 0.157 Uiso 1 1 calc R . .
H55C H 0.7383 0.1062 0.0701 0.157 Uiso 1 1 calc R . .
C56 C 0.7474(9) 0.1991(3) 0.0124(7) 0.125(4) Uani 1 1 d . . .
H56A H 0.7880 0.2090 0.0662 0.188 Uiso 1 1 calc R . .
H56B H 0.6862 0.2182 -0.0160 0.188 Uiso 1 1 calc R . .
H56C H 0.8105 0.1947 -0.0179 0.188 Uiso 1 1 calc R . .
C57 C 0.2911(8) -0.0073(2) 0.1537(8) 0.110(3) Uani 1 1 d . . .
C58 C 0.1680(9) -0.0259(3) 0.1046(8) 0.155(5) Uani 1 1 d . . .
H58A H 0.1792 -0.0542 0.1010 0.232 Uiso 1 1 calc R . .
H58B H 0.1459 -0.0147 0.0503 0.232 Uiso 1 1 calc R . .
H58C H 0.1011 -0.0206 0.1313 0.232 Uiso 1 1 calc R . .
C59 C 0.3981(11) -0.0169(3) 0.1140(11) 0.231(9) Uani 1 1 d . . .
H59A H 0.4078 -0.0453 0.1118 0.347 Uiso 1 1 calc R . .
H59B H 0.4760 -0.0053 0.1457 0.347 Uiso 1 1 calc R . .
H59C H 0.3786 -0.0062 0.0593 0.347 Uiso 1 1 calc R . .
C60 C 0.3223(15) -0.0249(3) 0.2414(10) 0.212(8) Uani 1 1 d . . .
H60A H 0.3345 -0.0531 0.2387 0.317 Uiso 1 1 calc R . .
H60B H 0.2531 -0.0196 0.2661 0.317 Uiso 1 1 calc R . .
H60C H 0.3988 -0.0128 0.2738 0.317 Uiso 1 1 calc R . .
C45 C -0.3599(8) 0.1025(2) 0.3280(6) 0.095(3) Uani 1 1 d D . .
H45A H -0.2747 0.0980 0.3624 0.114 Uiso 1 1 calc R B 1
H45B H -0.3619 0.0949 0.2720 0.114 Uiso 1 1 calc R B 1
C46A C -0.4590(12) 0.0788(5) 0.3600(13) 0.134(10) Uani 0.669(14) 1 d PD C 1
H461 H -0.5378 0.0939 0.3481 0.161 Uiso 0.669(14) 1 calc PR C 1
H462 H -0.4758 0.0541 0.3295 0.161 Uiso 0.669(14) 1 calc PR C 1
C47A C -0.424(2) 0.0692(9) 0.4491(12) 0.30(2) Uani 0.669(14) 1 d PD C 1
C48A C -0.308(2) 0.0424(9) 0.467(2) 0.38(3) Uani 0.669(14) 1 d PD C 1
C46B C -0.408(2) 0.0705(9) 0.379(2) 0.132(19) Uani 0.331(14) 1 d PD C 2
H463 H -0.4078 0.0445 0.3542 0.158 Uiso 0.331(14) 1 calc PR C 2
H464 H -0.3539 0.0696 0.4346 0.158 Uiso 0.331(14) 1 calc PR C 2
C47B C -0.545(2) 0.0819(10) 0.381(3) 0.181 Uiso 0.331(14) 1 d PD C 2
C48B C -0.592(4) 0.0496(14) 0.432(3) 0.265 Uiso 0.331(14) 1 d PD C 2
P2 P 0.8001(3) 0.47637(8) 0.6926(3) 0.1200(11) Uani 1 1 d . . .
F1 F 0.8593(13) 0.4657(7) 0.6178(10) 0.156(9) Uani 0.60(4) 1 d PD D 1
F2 F 0.8637(19) 0.4374(6) 0.7368(14) 0.194(12) Uani 0.60(4) 1 d PD D 1
F3 F 0.6819(16) 0.4505(6) 0.6488(16) 0.207(15) Uani 0.60(4) 1 d PD D 1
F4 F 0.7411(19) 0.5133(6) 0.646(2) 0.29(2) Uani 0.60(4) 1 d PD D 1
F5 F 0.744(3) 0.4867(9) 0.7586(19) 0.288(19) Uani 0.60(4) 1 d PD D 1
F6 F 0.9266(14) 0.4998(5) 0.7264(14) 0.187(16) Uani 0.60(4) 1 d PD D 1
F11 F 0.818(5) 0.4783(12) 0.6129(17) 0.31(3) Uani 0.40(4) 1 d PD D 2
F21 F 0.8684(19) 0.4382(4) 0.720(2) 0.141(14) Uani 0.40(4) 1 d PD D 2
F31 F 0.6689(18) 0.4519(6) 0.6617(15) 0.103(9) Uani 0.40(4) 1 d PD D 2
F41 F 0.714(3) 0.5163(6) 0.677(3) 0.22(2) Uani 0.40(4) 1 d PD D 2
F51 F 0.760(3) 0.4788(8) 0.7796(17) 0.173(15) Uani 0.40(4) 1 d PD D 2
F61 F 0.913(2) 0.5029(8) 0.729(2) 0.23(3) Uani 0.40(4) 1 d PD D 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F .0171 .0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P .1023 .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
N2 Pt1 C16 178.3(2) . . ?
N2 Pt1 N3 80.46(18) . . ?
C16 Pt1 N3 100.0(2) . . ?
N2 Pt1 N1 80.69(19) . . ?
C16 Pt1 N1 98.9(2) . . ?
N3 Pt1 N1 161.14(19) . . ?
C23 O1 C41 116.9(5) . . ?
C20 O2 C45 119.6(5) . . ?
C5 N1 C1 117.8(6) . . ?
C5 N1 Pt1 128.5(4) . . ?
C1 N1 Pt1 113.7(4) . . ?
C10 N2 C6 123.1(5) . . ?
C10 N2 Pt1 118.5(4) . . ?
C6 N2 Pt1 118.3(4) . . ?
C15 N3 C11 116.7(6) . . ?
C15 N3 Pt1 129.0(4) . . ?
C11 N3 Pt1 114.3(4) . . ?
C26 N4 C30 117.2(7) . . ?
C35 N5 C31 118.5(5) . . ?
C36 N6 C40 116.9(7) . . ?
C2 C1 N1 120.9(6) . . ?
C2 C1 C6 124.4(5) . . ?
N1 C1 C6 114.7(5) . . ?
C1 C2 C3 121.9(6) . . ?
C1 C2 H2 119.0 . . ?
C3 C2 H2 119.0 . . ?
C2 C3 C4 115.7(6) . . ?
C2 C3 C49 122.2(6) . . ?
C4 C3 C49 122.2(7) . . ?
C5 C4 C3 121.1(7) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
N1 C5 C4 122.6(6) . . ?
N1 C5 H5 118.7 . . ?
C4 C5 H5 118.7 . . ?
N2 C6 C7 118.7(6) . . ?
N2 C6 C1 112.5(5) . . ?
C7 C6 C1 128.8(6) . . ?
C6 C7 C8 120.5(6) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 H7 119.7 . . ?
C7 C8 C9 118.7(5) . . ?
C7 C8 C53 122.2(6) . . ?
C9 C8 C53 119.0(6) . . ?
C10 C9 C8 119.8(6) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
N2 C10 C9 119.2(5) . . ?
N2 C10 C11 112.9(5) . . ?
C9 C10 C11 127.8(6) . . ?
C12 C11 N3 121.6(5) . . ?
C12 C11 C10 124.4(5) . . ?
N3 C11 C10 113.9(5) . . ?
C11 C12 C13 121.9(6) . . ?
C11 C12 H12 119.1 . . ?
C13 C12 H12 119.1 . . ?
C14 C13 C12 115.2(7) . . ?
C14 C13 C57 121.5(7) . . ?
C12 C13 C57 123.3(7) . . ?
C15 C14 C13 121.9(7) . . ?
C15 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
N3 C15 C14 122.6(6) . . ?
N3 C15 H15 118.7 . . ?
C14 C15 H15 118.7 . . ?
C17 C16 Pt1 177.4(6) . . ?
C16 C17 C18 178.7(8) . . ?
C23 C18 C19 119.3(6) . . ?
C23 C18 C17 120.3(6) . . ?
C19 C18 C17 120.4(6) . . ?
C20 C19 C18 121.1(7) . . ?
C20 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
O2 C20 C19 125.1(6) . . ?
O2 C20 C21 115.5(6) . . ?
C19 C20 C21 119.3(6) . . ?
C22 C21 C20 119.5(6) . . ?
C22 C21 C24 118.7(6) . . ?
C20 C21 C24 121.7(6) . . ?
C23 C22 C21 121.4(6) . . ?
C23 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
O1 C23 C22 124.7(6) . . ?
O1 C23 C18 115.9(5) . . ?
C22 C23 C18 119.4(6) . . ?
C25 C24 C21 177.3(8) . . ?
C24 C25 C33 175.7(8) . . ?
N4 C26 C27 124.4(8) . . ?
N4 C26 H26 117.8 . . ?
C27 C26 H26 117.8 . . ?
C28 C27 C26 118.1(8) . . ?
C28 C27 H27 121.0 . . ?
C26 C27 H27 121.0 . . ?
C27 C28 C29 119.1(8) . . ?
C27 C28 H28 120.5 . . ?
C29 C28 H28 120.5 . . ?
C30 C29 C28 118.2(7) . . ?
C30 C29 H29 120.9 . . ?
C28 C29 H29 120.9 . . ?
N4 C30 C29 123.0(7) . . ?
N4 C30 C31 115.6(6) . . ?
C29 C30 C31 121.4(6) . . ?
N5 C31 C32 120.9(7) . . ?
N5 C31 C30 118.5(5) . . ?
C32 C31 C30 120.7(6) . . ?
C33 C32 C31 121.2(6) . . ?
C33 C32 H32 119.4 . . ?
C31 C32 H32 119.4 . . ?
C32 C33 C34 117.8(6) . . ?
C32 C33 C25 119.0(6) . . ?
C34 C33 C25 123.2(7) . . ?
C33 C34 C35 119.0(7) . . ?
C33 C34 H34 120.5 . . ?
C35 C34 H34 120.5 . . ?
N5 C35 C34 122.6(6) . . ?
N5 C35 C36 117.1(6) . . ?
C34 C35 C36 120.3(7) . . ?
N6 C36 C37 122.8(7) . . ?
N6 C36 C35 116.7(6) . . ?
C37 C36 C35 120.5(7) . . ?
C38 C37 C36 118.1(8) . . ?
C38 C37 H37 121.0 . . ?
C36 C37 H37 121.0 . . ?
C39 C38 C37 120.4(8) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C38 C39 C40 118.4(9) . . ?
C38 C39 H39 120.8 . . ?
C40 C39 H39 120.8 . . ?
N6 C40 C39 123.4(9) . . ?
N6 C40 H40 118.3 . . ?
C39 C40 H40 118.3 . . ?
O1 C41 C42 109.7(6) . . ?
O1 C41 H41A 109.7 . . ?
C42 C41 H41A 109.7 . . ?
O1 C41 H41B 109.7 . . ?
C42 C41 H41B 109.7 . . ?
H41A C41 H41B 108.2 . . ?
C43 C42 C41 112.5(7) . . ?
C43 C42 H42A 109.1 . . ?
C41 C42 H42A 109.1 . . ?
C43 C42 H42B 109.1 . . ?
C41 C42 H42B 109.1 . . ?
H42A C42 H42B 107.8 . . ?
C42 C43 C44 112.5(7) . . ?
C42 C43 H43A 109.1 . . ?
C44 C43 H43A 109.1 . . ?
C42 C43 H43B 109.1 . . ?
C44 C43 H43B 109.1 . . ?
H43A C43 H43B 107.8 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C52B C49 C51A 130.3(18) . . ?
C52B C49 C3 114.8(16) . . ?
C51A C49 C3 113.7(9) . . ?
C52B C49 C50A 45(2) . . ?
C51A C49 C50A 111.8(14) . . ?
C3 C49 C50A 103.9(9) . . ?
C52B C49 C51B 110(2) . . ?
C51A C49 C51B 62.8(17) . . ?
C3 C49 C51B 108.0(13) . . ?
C50A C49 C51B 146.8(14) . . ?
C52B C49 C52A 60(2) . . ?
C51A C49 C52A 109.8(13) . . ?
C3 C49 C52A 111.8(8) . . ?
C50A C49 C52A 105.4(12) . . ?
C51B C49 C52A 54.0(18) . . ?
C52B C49 C50B 101(3) . . ?
C51A C49 C50B 52(3) . . ?
C3 C49 C50B 110.1(15) . . ?
C50A C49 C50B 63(3) . . ?
C51B C49 C50B 113(3) . . ?
C52A C49 C50B 138.1(16) . . ?
C49 C50A H501 109.5 . . ?
C49 C50A H502 109.5 . . ?
H501 C50A H502 109.5 . . ?
C49 C50A H503 109.5 . . ?
H501 C50A H503 109.5 . . ?
H502 C50A H503 109.5 . . ?
C49 C51A H511 109.5 . . ?
C49 C51A H512 109.5 . . ?
H511 C51A H512 109.5 . . ?
C49 C51A H513 109.5 . . ?
H511 C51A H513 109.5 . . ?
H512 C51A H513 109.5 . . ?
C49 C52A H521 109.5 . . ?
C49 C52A H522 109.5 . . ?
H521 C52A H522 109.5 . . ?
C49 C52A H523 109.5 . . ?
H521 C52A H523 109.5 . . ?
H522 C52A H523 109.5 . . ?
C49 C50B H504 109.5 . . ?
C49 C50B H505 109.5 . . ?
H504 C50B H505 109.5 . . ?
C49 C50B H506 109.5 . . ?
H504 C50B H506 109.5 . . ?
H505 C50B H506 109.5 . . ?
C49 C51B H514 109.5 . . ?
C49 C51B H515 109.5 . . ?
H514 C51B H515 109.5 . . ?
C49 C51B H516 109.5 . . ?
H514 C51B H516 109.5 . . ?
H515 C51B H516 109.5 . . ?
C49 C52B H524 109.5 . . ?
C49 C52B H525 109.5 . . ?
H524 C52B H525 109.5 . . ?
C49 C52B H526 109.5 . . ?
H524 C52B H526 109.5 . . ?
H525 C52B H526 109.5 . . ?
C55 C53 C56 107.9(7) . . ?
C55 C53 C54 109.7(8) . . ?
C56 C53 C54 109.6(8) . . ?
C55 C53 C8 110.0(6) . . ?
C56 C53 C8 111.4(6) . . ?
C54 C53 C8 108.2(6) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C59 C57 C58 109.8(10) . . ?
C59 C57 C13 112.3(7) . . ?
C58 C57 C13 109.9(8) . . ?
C59 C57 C60 109.3(11) . . ?
C58 C57 C60 108.4(9) . . ?
C13 C57 C60 107.0(9) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O2 C45 C46A 104.8(9) . . ?
O2 C45 C46B 120.2(14) . . ?
C46A C45 C46B 23.5(9) . . ?
O2 C45 H45A 110.8 . . ?
C46A C45 H45A 110.8 . . ?
C46B C45 H45A 88.1 . . ?
O2 C45 H45B 110.8 . . ?
C46A C45 H45B 110.8 . . ?
C46B C45 H45B 115.3 . . ?
H45A C45 H45B 108.9 . . ?
C47A C46A C45 116.1(14) . . ?
C47A C46A H461 108.3 . . ?
C45 C46A H461 108.3 . . ?
C47A C46A H462 108.3 . . ?
C45 C46A H462 108.3 . . ?
H461 C46A H462 107.4 . . ?
C46A C47A C48A 109.0(14) . . ?
C47B C46B C45 107.7(9) . . ?
C47B C46B H463 110.2 . . ?
C45 C46B H463 110.2 . . ?
C47B C46B H464 110.2 . . ?
C45 C46B H464 110.2 . . ?
H463 C46B H464 108.5 . . ?
C46B C47B C48B 107.1(10) . . ?
F11 P2 F5 156(2) . . ?
F11 P2 F21 99.1(15) . . ?
F5 P2 F21 104.1(17) . . ?
F11 P2 F61 93.8(14) . . ?
F5 P2 F61 90(2) . . ?
F21 P2 F61 95.3(14) . . ?
F11 P2 F4 67(2) . . ?
F5 P2 F4 90.0(11) . . ?
F21 P2 F4 165.9(17) . . ?
F61 P2 F4 86(2) . . ?
F11 P2 F6 90(2) . . ?
F5 P2 F6 95.5(13) . . ?
F21 P2 F6 89.9(11) . . ?
F61 P2 F6 6.8(15) . . ?
F4 P2 F6 89.7(9) . . ?
F11 P2 F3 82(2) . . ?
F5 P2 F3 92.6(10) . . ?
F21 P2 F3 87.3(14) . . ?
F61 P2 F3 175.8(18) . . ?
F4 P2 F3 91.2(11) . . ?
F6 P2 F3 171.8(13) . . ?
F11 P2 F2 110(2) . . ?
F5 P2 F2 93.2(12) . . ?
F21 P2 F2 10.9(16) . . ?
F61 P2 F2 94.8(17) . . ?
F4 P2 F2 176.8(15) . . ?
F6 P2 F2 90.4(8) . . ?
F3 P2 F2 88.3(9) . . ?
F11 P2 F1 22(2) . . ?
F5 P2 F1 178.5(14) . . ?
F21 P2 F1 77.4(14) . . ?
F61 P2 F1 90.2(15) . . ?
F4 P2 F1 88.6(12) . . ?
F6 P2 F1 84.9(7) . . ?
F3 P2 F1 87.0(10) . . ?
F2 P2 F1 88.2(9) . . ?
F11 P2 F31 92.1(14) . . ?
F5 P2 F31 82.2(19) . . ?
F21 P2 F31 89.5(8) . . ?
F61 P2 F31 171.7(16) . . ?
F4 P2 F31 91.4(13) . . ?
F6 P2 F31 177.5(15) . . ?
F3 P2 F31 10.4(17) . . ?
F2 P2 F31 88.6(12) . . ?
F1 P2 F31 97.4(13) . . ?
F11 P2 F41 91.0(15) . . ?
F5 P2 F41 65(2) . . ?
F21 P2 F41 169.3(16) . . ?
F61 P2 F41 87.5(11) . . ?
F4 P2 F41 24.5(17) . . ?
F6 P2 F41 93.4(13) . . ?
F3 P2 F41 90.7(15) . . ?
F2 P2 F41 158.6(19) . . ?
F1 P2 F41 113.0(17) . . ?
F31 P2 F41 86.7(10) . . ?
F11 P2 F51 170.7(19) . . ?
F5 P2 F51 14.9(17) . . ?
F21 P2 F51 89.4(12) . . ?
F61 P2 F51 89.0(12) . . ?
F4 P2 F51 104.6(17) . . ?
F6 P2 F51 93.2(13) . . ?
F3 P2 F51 94.4(14) . . ?
F2 P2 F51 78.5(16) . . ?
F1 P2 F51 166.7(14) . . ?
F31 P2 F51 84.3(9) . . ?
F41 P2 F51 80.2(13) . . ?
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 N2 1.958(4) . ?
Pt1 C16 1.966(6) . ?
Pt1 N3 2.013(5) . ?
Pt1 N1 2.015(5) . ?
O1 C23 1.369(8) . ?
O1 C41 1.391(8) . ?
O2 C20 1.353(8) . ?
O2 C45 1.409(9) . ?
N1 C5 1.331(8) . ?
N1 C1 1.385(7) . ?
N2 C10 1.341(7) . ?
N2 C6 1.350(7) . ?
N3 C15 1.354(8) . ?
N3 C11 1.384(7) . ?
N4 C26 1.309(10) . ?
N4 C30 1.327(8) . ?
N5 C35 1.341(8) . ?
N5 C31 1.341(8) . ?
N6 C36 1.323(10) . ?
N6 C40 1.345(10) . ?
C1 C2 1.364(8) . ?
C1 C6 1.475(8) . ?
C2 C3 1.389(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.394(9) . ?
C3 C49 1.522(9) . ?
C4 C5 1.370(9) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.381(8) . ?
C7 C8 1.385(9) . ?
C7 H7 0.9300 . ?
C8 C9 1.391(9) . ?
C8 C53 1.543(8) . ?
C9 C10 1.386(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.483(8) . ?
C11 C12 1.351(9) . ?
C12 C13 1.399(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.386(10) . ?
C13 C57 1.526(11) . ?
C14 C15 1.355(10) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.201(8) . ?
C17 C18 1.433(8) . ?
C18 C23 1.401(9) . ?
C18 C19 1.406(9) . ?
C19 C20 1.383(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.402(9) . ?
C21 C22 1.394(9) . ?
C21 C24 1.417(8) . ?
C22 C23 1.381(8) . ?
C22 H22 0.9300 . ?
C24 C25 1.195(8) . ?
C25 C33 1.428(8) . ?
C26 C27 1.379(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.354(10) . ?
C27 H27 0.9300 . ?
C28 C29 1.386(10) . ?
C28 H28 0.9300 . ?
C29 C30 1.379(9) . ?
C29 H29 0.9300 . ?
C30 C31 1.482(10) . ?
C31 C32 1.395(8) . ?
C32 C33 1.372(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.378(9) . ?
C34 C35 1.402(8) . ?
C34 H34 0.9300 . ?
C35 C36 1.501(9) . ?
C36 C37 1.381(9) . ?
C37 C38 1.367(10) . ?
C37 H37 0.9300 . ?
C38 C39 1.336(13) . ?
C38 H38 0.9300 . ?
C39 C40 1.365(12) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C42 1.531(9) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 C43 1.497(11) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.505(11) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C49 C52B 1.43(4) . ?
C49 C51A 1.448(17) . ?
C49 C50A 1.532(19) . ?
C49 C51B 1.54(4) . ?
C49 C52A 1.550(19) . ?
C49 C50B 1.64(3) . ?
C50A H501 0.9600 . ?
C50A H502 0.9600 . ?
C50A H503 0.9600 . ?
C51A H511 0.9600 . ?
C51A H512 0.9600 . ?
C51A H513 0.9600 . ?
C52A H521 0.9600 . ?
C52A H522 0.9600 . ?
C52A H523 0.9600 . ?
C50B H504 0.9600 . ?
C50B H505 0.9600 . ?
C50B H506 0.9600 . ?
C51B H514 0.9600 . ?
C51B H515 0.9600 . ?
C51B H516 0.9600 . ?
C52B H524 0.9600 . ?
C52B H525 0.9600 . ?
C52B H526 0.9600 . ?
C53 C55 1.493(10) . ?
C53 C56 1.518(11) . ?
C53 C54 1.523(11) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 C59 1.510(13) . ?
C57 C58 1.517(13) . ?
C57 C60 1.544(16) . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C45 C46A 1.536(11) . ?
C45 C46B 1.548(10) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46A C47A 1.485(14) . ?
C46A H461 0.9700 . ?
C46A H462 0.9700 . ?
C47A C48A 1.513(15) . ?
C46B C47B 1.532(10) . ?
C46B H463 0.9700 . ?
C46B H464 0.9700 . ?
C47B C48B 1.546(10) . ?
P2 F11 1.40(2) . ?
P2 F5 1.43(2) . ?
P2 F21 1.495(18) . ?
P2 F61 1.514(18) . ?
P2 F4 1.521(15) . ?
P2 F6 1.560(14) . ?
P2 F3 1.571(17) . ?
P2 F2 1.575(15) . ?
P2 F1 1.587(14) . ?
P2 F31 1.611(16) . ?
P2 F41 1.62(2) . ?
P2 F51 1.63(2) . ?
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
N2 Pt1 N1 C5 -177.9(6) . . . . ?
C16 Pt1 N1 C5 3.8(6) . . . . ?
N3 Pt1 N1 C5 -179.6(6) . . . . ?
N2 Pt1 N1 C1 0.1(4) . . . . ?
C16 Pt1 N1 C1 -178.2(4) . . . . ?
N3 Pt1 N1 C1 -1.6(9) . . . . ?
C16 Pt1 N2 C10 -102(8) . . . . ?
N3 Pt1 N2 C10 2.0(5) . . . . ?
N1 Pt1 N2 C10 -177.4(5) . . . . ?
C16 Pt1 N2 C6 73(8) . . . . ?
N3 Pt1 N2 C6 177.1(5) . . . . ?
N1 Pt1 N2 C6 -2.3(4) . . . . ?
N2 Pt1 N3 C15 -179.6(7) . . . . ?
C16 Pt1 N3 C15 -1.3(7) . . . . ?
N1 Pt1 N3 C15 -177.8(6) . . . . ?
N2 Pt1 N3 C11 -0.8(5) . . . . ?
C16 Pt1 N3 C11 177.5(5) . . . . ?
N1 Pt1 N3 C11 1.0(10) . . . . ?
C5 N1 C1 C2 1.0(9) . . . . ?
Pt1 N1 C1 C2 -177.2(5) . . . . ?
C5 N1 C1 C6 -180.0(6) . . . . ?
Pt1 N1 C1 C6 1.8(7) . . . . ?
N1 C1 C2 C3 0.5(10) . . . . ?
C6 C1 C2 C3 -178.4(6) . . . . ?
C1 C2 C3 C4 -1.9(10) . . . . ?
C1 C2 C3 C49 177.3(7) . . . . ?
C2 C3 C4 C5 2.0(11) . . . . ?
C49 C3 C4 C5 -177.3(7) . . . . ?
C1 N1 C5 C4 -1.0(10) . . . . ?
Pt1 N1 C5 C4 177.0(5) . . . . ?
C3 C4 C5 N1 -0.6(11) . . . . ?
C10 N2 C6 C7 0.8(9) . . . . ?
Pt1 N2 C6 C7 -174.0(5) . . . . ?
C10 N2 C6 C1 178.7(6) . . . . ?
Pt1 N2 C6 C1 3.8(7) . . . . ?
C2 C1 C6 N2 175.4(6) . . . . ?
N1 C1 C6 N2 -3.6(8) . . . . ?
C2 C1 C6 C7 -7.0(11) . . . . ?
N1 C1 C6 C7 174.0(6) . . . . ?
N2 C6 C7 C8 0.7(10) . . . . ?
C1 C6 C7 C8 -176.7(6) . . . . ?
C6 C7 C8 C9 -2.0(10) . . . . ?
C6 C7 C8 C53 174.7(6) . . . . ?
C7 C8 C9 C10 1.8(10) . . . . ?
C53 C8 C9 C10 -175.1(6) . . . . ?
C6 N2 C10 C9 -1.0(10) . . . . ?
Pt1 N2 C10 C9 173.8(5) . . . . ?
C6 N2 C10 C11 -177.6(6) . . . . ?
Pt1 N2 C10 C11 -2.7(7) . . . . ?
C8 C9 C10 N2 -0.3(10) . . . . ?
C8 C9 C10 C11 175.7(7) . . . . ?
C15 N3 C11 C12 0.4(10) . . . . ?
Pt1 N3 C11 C12 -178.5(6) . . . . ?
C15 N3 C11 C10 178.6(6) . . . . ?
Pt1 N3 C11 C10 -0.4(7) . . . . ?
N2 C10 C11 C12 -179.9(7) . . . . ?
C9 C10 C11 C12 3.9(12) . . . . ?
N2 C10 C11 N3 2.0(8) . . . . ?
C9 C10 C11 N3 -174.2(6) . . . . ?
N3 C11 C12 C13 1.3(12) . . . . ?
C10 C11 C12 C13 -176.6(7) . . . . ?
C11 C12 C13 C14 -1.9(12) . . . . ?
C11 C12 C13 C57 179.3(9) . . . . ?
C12 C13 C14 C15 0.9(14) . . . . ?
C57 C13 C14 C15 179.7(9) . . . . ?
C11 N3 C15 C14 -1.4(11) . . . . ?
Pt1 N3 C15 C14 177.3(6) . . . . ?
C13 C14 C15 N3 0.8(14) . . . . ?
N2 Pt1 C16 C17 -37(20) . . . . ?
N3 Pt1 C16 C17 -140(15) . . . . ?
N1 Pt1 C16 C17 39(15) . . . . ?
Pt1 C16 C17 C18 -65(46) . . . . ?
C16 C17 C18 C23 28(40) . . . . ?
C16 C17 C18 C19 -153(40) . . . . ?
C23 C18 C19 C20 -1.3(11) . . . . ?
C17 C18 C19 C20 179.2(7) . . . . ?
C45 O2 C20 C19 -1.3(12) . . . . ?
C45 O2 C20 C21 -179.1(7) . . . . ?
C18 C19 C20 O2 -177.2(7) . . . . ?
C18 C19 C20 C21 0.6(11) . . . . ?
O2 C20 C21 C22 178.4(6) . . . . ?
C19 C20 C21 C22 0.4(11) . . . . ?
O2 C20 C21 C24 0.0(10) . . . . ?
C19 C20 C21 C24 -178.0(7) . . . . ?
C20 C21 C22 C23 -0.6(10) . . . . ?
C24 C21 C22 C23 177.8(6) . . . . ?
C41 O1 C23 C22 4.3(10) . . . . ?
C41 O1 C23 C18 -174.3(6) . . . . ?
C21 C22 C23 O1 -178.6(6) . . . . ?
C21 C22 C23 C18 -0.1(10) . . . . ?
C19 C18 C23 O1 179.7(6) . . . . ?
C17 C18 C23 O1 -0.8(10) . . . . ?
C19 C18 C23 C22 1.1(10) . . . . ?
C17 C18 C23 C22 -179.4(6) . . . . ?
C22 C21 C24 C25 9(17) . . . . ?
C20 C21 C24 C25 -173(17) . . . . ?
C21 C24 C25 C33 -3(26) . . . . ?
C30 N4 C26 C27 0.6(14) . . . . ?
N4 C26 C27 C28 0.2(15) . . . . ?
C26 C27 C28 C29 0.0(14) . . . . ?
C27 C28 C29 C30 -0.9(12) . . . . ?
C26 N4 C30 C29 -1.6(12) . . . . ?
C26 N4 C30 C31 180.0(7) . . . . ?
C28 C29 C30 N4 1.8(12) . . . . ?
C28 C29 C30 C31 -179.8(7) . . . . ?
C35 N5 C31 C32 -3.1(10) . . . . ?
C35 N5 C31 C30 178.7(6) . . . . ?
N4 C30 C31 N5 -173.6(6) . . . . ?
C29 C30 C31 N5 7.9(10) . . . . ?
N4 C30 C31 C32 8.1(10) . . . . ?
C29 C30 C31 C32 -170.4(7) . . . . ?
N5 C31 C32 C33 2.8(10) . . . . ?
C30 C31 C32 C33 -179.0(6) . . . . ?
C31 C32 C33 C34 -1.6(10) . . . . ?
C31 C32 C33 C25 -179.0(6) . . . . ?
C24 C25 C33 C32 -9(11) . . . . ?
C24 C25 C33 C34 174(10) . . . . ?
C32 C33 C34 C35 0.8(10) . . . . ?
C25 C33 C34 C35 178.1(6) . . . . ?
C31 N5 C35 C34 2.3(10) . . . . ?
C31 N5 C35 C36 -178.3(6) . . . . ?
C33 C34 C35 N5 -1.2(10) . . . . ?
C33 C34 C35 C36 179.5(6) . . . . ?
C40 N6 C36 C37 1.3(12) . . . . ?
C40 N6 C36 C35 -178.4(7) . . . . ?
N5 C35 C36 N6 -178.0(6) . . . . ?
C34 C35 C36 N6 1.4(10) . . . . ?
N5 C35 C36 C37 2.2(10) . . . . ?
C34 C35 C36 C37 -178.4(7) . . . . ?
N6 C36 C37 C38 -1.6(12) . . . . ?
C35 C36 C37 C38 178.1(7) . . . . ?
C36 C37 C38 C39 0.5(14) . . . . ?
C37 C38 C39 C40 0.7(15) . . . . ?
C36 N6 C40 C39 0.0(14) . . . . ?
C38 C39 C40 N6 -1.0(16) . . . . ?
C23 O1 C41 C42 -178.7(6) . . . . ?
O1 C41 C42 C43 173.1(8) . . . . ?
C41 C42 C43 C44 -177.4(8) . . . . ?
C2 C3 C49 C52B -53(3) . . . . ?
C4 C3 C49 C52B 126(3) . . . . ?
C2 C3 C49 C51A 137.7(16) . . . . ?
C4 C3 C49 C51A -43.1(18) . . . . ?
C2 C3 C49 C50A -100.5(13) . . . . ?
C4 C3 C49 C50A 78.7(14) . . . . ?
C2 C3 C49 C51B 70(2) . . . . ?
C4 C3 C49 C51B -111(2) . . . . ?
C2 C3 C49 C52A 12.7(15) . . . . ?
C4 C3 C49 C52A -168.1(12) . . . . ?
C2 C3 C49 C50B -166(4) . . . . ?
C4 C3 C49 C50B 13(4) . . . . ?
C7 C8 C53 C55 131.8(8) . . . . ?
C9 C8 C53 C55 -51.5(9) . . . . ?
C7 C8 C53 C56 12.1(10) . . . . ?
C9 C8 C53 C56 -171.1(7) . . . . ?
C7 C8 C53 C54 -108.4(9) . . . . ?
C9 C8 C53 C54 68.4(10) . . . . ?
C14 C13 C57 C59 174.9(11) . . . . ?
C12 C13 C57 C59 -6.4(15) . . . . ?
C14 C13 C57 C58 52.3(14) . . . . ?
C12 C13 C57 C58 -129.0(9) . . . . ?
C14 C13 C57 C60 -65.2(12) . . . . ?
C12 C13 C57 C60 113.5(11) . . . . ?
C20 O2 C45 C46A 178.4(9) . . . . ?
C20 O2 C45 C46B 159.2(18) . . . . ?
O2 C45 C46A C47A -93.7(18) . . . . ?
C46B C45 C46A C47A 41(5) . . . . ?
C45 C46A C47A C48A -63(3) . . . . ?
O2 C45 C46B C47B 36(4) . . . . ?
C46A C45 C46B C47B -17(4) . . . . ?
C45 C46B C47B C48B 180(4) . . . . ?
