#------------------------------------------------------------------------------
#$Date: 2024-04-24 04:02:58 +0300 (Wed, 24 Apr 2024) $
#$Revision: 291344 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/85/7248521.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_7248521
loop_
_publ_author_name
'Thakur, Vasudha'
'Thomas, Jisha Mary'
'Adnan, Mohammad'
'Sivasankar, Chinnappan'
'Vijaya Prakash, G.'
'Thirupathi, Natesan'
_publ_section_title
;
 Syntheses, structural, photophysical and theoretical studies of
 heteroleptic cycloplatinated guanidinate(1−) complexes bearing
 acetylacetonate and picolinate ancillary ligands
;
_journal_issue                   19
_journal_name_full               'RSC Advances'
_journal_page_first              13291
_journal_page_last               13305
_journal_paper_doi               10.1039/D4RA00828F
_journal_volume                  14
_journal_year                    2024
_chemical_formula_moiety         '2(C30 H35 N3 O2 Pt), C3.25 H4'
_chemical_formula_sum            'C63.25 H74 N6 O4 Pt2'
_chemical_formula_weight         1372.46
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2024-04-04
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2024-04-04 deposited with the CCDC.	2024-04-15 downloaded from the CCDC.
;
_cell_angle_alpha                93.304(3)
_cell_angle_beta                 98.761(3)
_cell_angle_gamma                104.327(4)
_cell_formula_units_Z            2
_cell_length_a                   12.4667(5)
_cell_length_b                   13.3851(7)
_cell_length_c                   18.9089(6)
_cell_measurement_reflns_used    7070
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.3110
_cell_measurement_theta_min      3.1730
_cell_volume                     3006.5(2)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0972
_diffrn_reflns_av_unetI/netI     0.1309
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            40424
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.003
_exptl_absorpt_coefficient_mu    4.698
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84266
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1367
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.772
_refine_diff_density_min         -0.708
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     694
_refine_ls_number_reflns         12285
_refine_ls_number_restraints     70
_refine_ls_restrained_S_all      0.984
_refine_ls_R_factor_all          0.1412
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0237P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0903
_refine_ls_wR_factor_ref         0.1135
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6413
_reflns_number_total             12285
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ra00828f3.cif
_cod_data_source_block           Complex-13
_cod_database_code               7248521
_shelx_shelxl_version_number     2016/4
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.955
_shelx_estimated_absorpt_t_min   0.912
_olex2_refinement_description
;
1. Restrained distances
 C25-C26
 1.51 with sigma of 0.02
 C26-C27 = C26-C31 = C28-C29
 1.39 with sigma of 0.02
 C27-C28 = C29-C30 = C30-C31
 1.38 with sigma of 0.02
 C25-C27 = C25-C31
 2.52 with sigma of 0.04
 C26-C28
 2.42 with sigma of 0.04
 C26-C30
 2.41 with sigma of 0.04
 C27-C29
 2.39 with sigma of 0.04
 C28-C30 = C29-C31
 2.4 with sigma of 0.04
 C26-C27 \\sim C27-C28 \\sim C28-C29 \\sim C29-C30 \\sim C30-C31 \\sim C31-C26
 with sigma of 0.02
 C26-C30 \\sim C26-C28 \\sim C31-C29 \\sim C27-C31 \\sim C28-C30 \\sim C27-C29
 with sigma of 0.04
 C25-C31 \\sim C25-C27
 with sigma of 0.04
2. Restrained planarity
 C25, C26, C27, C28, C29, C30, C31
 with sigma of 0.1
3. Rigid bond restraints
 C7B, C7"
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C13B, C13"
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C7B \\sim C7": within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 1.7A
C13B \\sim C13": within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 1.7A
C25 \\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
5. Rigid body (RIGU) restrains
 C25, C26, C27, C28, C29, C30, C31
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: C25(0.5) H25A(0.5) H25B(0.5) H25C(0.5) C26(0.25) C27(0.5) H27(0.5)
 C28(0.5) H28(0.5) C29(0.5) H29(0.5) C30(0.5) H30(0.5) C31(0.5) H31(0.5)
7.a Riding coordinates:
 N2A(H2A)
7.b Aromatic/amide H refined with riding coordinates:
 N3A(H3A), C3A(H3AA), C4A(H4A), C6A(H6A), C9A(H9A), C10A(H10A), C12A(H12A),
 C16A(H16A), C18A(H18A), C22A(H22A), N2B(H2B), N3B(H3B), C3B(H3BA), C4B(H4B),
 C6B(H6B), C9B(H9B), C10B(H10B), C12B(H12B), C16B(H16B), C18B(H18B), C22B(H22B),
  C27(H27), C28(H28), C29(H29), C30(H30), C31(H31)
7.c Idealised Me refined as rotating group:
 C5'(H5'A,H5'B,H5'C), C7'(H7'A,H7'B,H7'C), C11'(H11A,H11B,H11C), C13'(H13A,
 H13B,H13C), C17'(H17A,H17B,H17C), C19'(H19A,H19B,H19C), C20A(H20A,H20B,H20C),
 C24A(H24A,H24B,H24C), C5"(H5"A,H5"B,H5"C), C7"(H7"A,H7"B,H7"C), C11"(H11D,H11E,
 H11F), C13"(H13D,H13E,H13F), C17"(H17D,H17E,H17F), C19"(H19D,H19E,H19F),
 C20B(H20D,H20E,H20F), C24B(H24D,H24E,H24F), C25(H25A,H25B,H25C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1A Pt 0.98922(3) 1.23070(3) 0.96887(2) 0.06283(14) Uani 1 1 d . . . . .
O1A O 1.0127(5) 1.3561(5) 1.0393(3) 0.0706(19) Uani 1 1 d . . . . .
O2A O 1.1585(5) 1.2759(6) 0.9592(3) 0.074(2) Uani 1 1 d . . . . .
N1A N 0.9732(6) 1.1071(6) 0.8999(4) 0.064(2) Uani 1 1 d . . . . .
N2A N 0.8837(6) 0.9460(7) 0.8348(4) 0.073(2) Uani 1 1 d . . . . .
H2A H 0.940816 0.922739 0.849357 0.088 Uiso 1 1 d R U . . .
N3A N 0.7882(6) 1.0253(7) 0.9043(4) 0.075(2) Uani 1 1 d . . . . .
H3A H 0.740173 0.965675 0.895849 0.090 Uiso 1 1 calc R U . . .
C1A C 0.8853(9) 1.0289(9) 0.8810(5) 0.069(3) Uani 1 1 d . . . . .
C2A C 1.0711(9) 1.0976(9) 0.8695(6) 0.072(3) Uani 1 1 d . . . . .
C3A C 1.1456(9) 1.0473(9) 0.9031(6) 0.093(4) Uani 1 1 d . . . . .
H3AA H 1.136729 1.018492 0.946081 0.112 Uiso 1 1 calc R U . . .
C4A C 1.2355(10) 1.0425(11) 0.8679(8) 0.117(5) Uani 1 1 d . . . . .
H4A H 1.286948 1.007947 0.888263 0.140 Uiso 1 1 calc R U . . .
C5A C 1.2520(10) 1.0859(10) 0.8054(8) 0.094(4) Uani 1 1 d . . . . .
C6A C 1.1776(11) 1.1376(9) 0.7737(7) 0.099(4) Uani 1 1 d . . . . .
H6A H 1.187200 1.167845 0.731232 0.119 Uiso 1 1 calc R U . . .
C7A C 1.0856(10) 1.1429(10) 0.8083(8) 0.092(4) Uani 1 1 d . . . . .
C5' C 1.3504(10) 1.0737(11) 0.7667(8) 0.179(7) Uani 1 1 d . . . . .
H5'A H 1.420725 1.110342 0.795850 0.269 Uiso 1 1 calc R U . . .
H5'B H 1.343071 1.101723 0.721096 0.269 Uiso 1 1 calc R U . . .
H5'C H 1.348142 1.001626 0.759202 0.269 Uiso 1 1 calc R U . . .
C7' C 1.0086(10) 1.1972(10) 0.7730(6) 0.128(5) Uani 1 1 d . . . . .
H7'A H 0.936763 1.149113 0.756125 0.192 Uiso 1 1 calc R U . . .
H7'B H 1.037712 1.228203 0.732989 0.192 Uiso 1 1 calc R U . . .
H7'C H 1.000171 1.250266 0.806500 0.192 Uiso 1 1 calc R U . . .
C8A C 0.7874(8) 0.8620(8) 0.8148(5) 0.061(3) Uani 1 1 d . . . . .
C9A C 0.7796(9) 0.7708(10) 0.8462(5) 0.075(3) Uani 1 1 d . . . . .
H9A H 0.839903 0.765277 0.879994 0.090 Uiso 1 1 calc R U . . .
C10A C 0.6860(9) 0.6869(8) 0.8297(5) 0.076(3) Uani 1 1 d . . . . .
H10A H 0.684395 0.626429 0.851897 0.091 Uiso 1 1 calc R U . . .
C11A C 0.5945(9) 0.6936(9) 0.7800(5) 0.071(3) Uani 1 1 d . . . . .
C12A C 0.6043(8) 0.7856(9) 0.7471(4) 0.068(3) Uani 1 1 d . . . . .
H12A H 0.544285 0.790968 0.713018 0.081 Uiso 1 1 calc R U . . .
C13A C 0.6979(9) 0.8691(8) 0.7624(5) 0.065(3) Uani 1 1 d . . . . .
C11' C 0.4895(8) 0.6044(8) 0.7619(5) 0.092(4) Uani 1 1 d . . . . .
H11A H 0.507285 0.545791 0.739369 0.137 Uiso 1 1 calc R U . . .
H11B H 0.433289 0.624828 0.729674 0.137 Uiso 1 1 calc R U . . .
H11C H 0.461472 0.585983 0.805221 0.137 Uiso 1 1 calc R U . . .
C13' C 0.7008(8) 0.9653(8) 0.7253(5) 0.090(4) Uani 1 1 d . . . . .
H13A H 0.705414 1.022085 0.759968 0.135 Uiso 1 1 calc R U . . .
H13B H 0.633744 0.954755 0.690169 0.135 Uiso 1 1 calc R U . . .
H13C H 0.765284 0.980716 0.701807 0.135 Uiso 1 1 calc R U . . .
C14A C 0.7509(8) 1.1027(8) 0.9405(5) 0.059(3) Uani 1 1 d . . . . .
C15A C 0.8258(7) 1.1918(7) 0.9738(4) 0.049(2) Uani 1 1 d . . . . .
C16A C 0.7779(8) 1.2590(8) 1.0113(4) 0.067(3) Uani 1 1 d . . . . .
H16A H 0.824913 1.321251 1.034270 0.080 Uiso 1 1 calc R U . . .
C17A C 0.6633(9) 1.2373(9) 1.0158(5) 0.065(3) Uani 1 1 d . . . . .
C18A C 0.5948(8) 1.1487(9) 0.9784(5) 0.068(3) Uani 1 1 d . . . . .
H18A H 0.517945 1.134827 0.978363 0.082 Uiso 1 1 calc R U . . .
C19A C 0.6347(8) 1.0795(10) 0.9410(5) 0.073(3) Uani 1 1 d . . . . .
C17' C 0.6199(8) 1.3106(9) 1.0601(5) 0.100(4) Uani 1 1 d . . . . .
H17A H 0.607885 1.283376 1.104982 0.150 Uiso 1 1 calc R U . . .
H17B H 0.550190 1.318174 1.034462 0.150 Uiso 1 1 calc R U . . .
H17C H 0.673845 1.376858 1.069196 0.150 Uiso 1 1 calc R U . . .
C19' C 0.5555(8) 0.9794(9) 0.8986(5) 0.102(4) Uani 1 1 d . . . . .
H19A H 0.560391 0.980540 0.848500 0.153 Uiso 1 1 calc R U . . .
H19B H 0.479614 0.975278 0.904911 0.153 Uiso 1 1 calc R U . . .
H19C H 0.577393 0.920240 0.916228 0.153 Uiso 1 1 calc R U . . .
C20A C 1.0940(8) 1.5204(8) 1.1042(4) 0.080(3) Uani 1 1 d . . . . .
H20A H 1.017089 1.522341 1.101885 0.119 Uiso 1 1 calc R U . . .
H20B H 1.137124 1.585371 1.092401 0.119 Uiso 1 1 calc R U . . .
H20C H 1.123811 1.508475 1.151881 0.119 Uiso 1 1 calc R U . . .
C21A C 1.1003(9) 1.4342(8) 1.0513(5) 0.058(3) Uani 1 1 d . . . . .
C22A C 1.1984(7) 1.4411(8) 1.0230(5) 0.064(3) Uani 1 1 d . . . . .
H22A H 1.253535 1.503508 1.033424 0.077 Uiso 1 1 calc R U . . .
C23A C 1.2218(8) 1.3629(9) 0.9805(6) 0.067(3) Uani 1 1 d . . . . .
C24A C 1.3372(8) 1.3805(9) 0.9590(6) 0.107(4) Uani 1 1 d . . . . .
H24A H 1.351925 1.314884 0.947691 0.160 Uiso 1 1 calc R U . . .
H24B H 1.393330 1.418952 0.998135 0.160 Uiso 1 1 calc R U . . .
H24C H 1.339268 1.418873 0.917646 0.160 Uiso 1 1 calc R U . . .
Pt1B Pt 0.56868(3) 0.68262(3) 0.38088(2) 0.06146(15) Uani 1 1 d . . . . .
O1B O 0.5287(5) 0.6679(5) 0.2726(3) 0.077(2) Uani 1 1 d . . . . .
O2B O 0.4182(5) 0.7215(6) 0.3886(3) 0.084(2) Uani 1 1 d . . . . .
N1B N 0.6034(6) 0.6998(6) 0.4881(3) 0.065(2) Uani 1 1 d . . . . .
N2B N 0.7206(6) 0.7357(7) 0.6011(4) 0.079(3) Uani 1 1 d . . . . .
H2B H 0.668428 0.752719 0.620073 0.095 Uiso 1 1 calc R U . . .
N3B N 0.7902(6) 0.6930(6) 0.5007(4) 0.070(3) Uani 1 1 d . . . . .
H3B H 0.852395 0.709693 0.530692 0.084 Uiso 1 1 calc R U . . .
C1B C 0.7005(8) 0.7087(8) 0.5284(5) 0.060(3) Uani 1 1 d . . . . .
C2B C 0.5137(9) 0.7120(11) 0.5270(5) 0.077(4) Uani 1 1 d . . . . .
C3B C 0.4408(8) 0.6253(10) 0.5436(5) 0.080(4) Uani 1 1 d . . . . .
H3BA H 0.448095 0.558994 0.532525 0.095 Uiso 1 1 calc R U . . .
C4B C 0.3544(10) 0.6430(12) 0.5784(6) 0.098(4) Uani 1 1 d . . . . .
H4B H 0.303258 0.586105 0.590650 0.117 Uiso 1 1 calc R U . . .
C5B C 0.3416(9) 0.7427(13) 0.5956(6) 0.088(4) Uani 1 1 d . . . . .
C6B C 0.4180(9) 0.8257(11) 0.5756(5) 0.094(4) Uani 1 1 d . . . . .
H6B H 0.411587 0.892601 0.585749 0.113 Uiso 1 1 calc R U . . .
C7B C 0.5035(8) 0.8112(11) 0.5408(5) 0.080(4) Uani 1 1 d . U . . .
C5" C 0.2485(9) 0.7537(11) 0.6362(6) 0.152(6) Uani 1 1 d . . . . .
H5"A H 0.176984 0.726460 0.605487 0.228 Uiso 1 1 calc R U . . .
H5"B H 0.257735 0.825562 0.651015 0.228 Uiso 1 1 calc R U . . .
H5"C H 0.251772 0.715957 0.677804 0.228 Uiso 1 1 calc R U . . .
C7" C 0.5797(9) 0.9033(9) 0.5203(6) 0.112(4) Uani 1 1 d . U . . .
H7"A H 0.656063 0.899906 0.533830 0.169 Uiso 1 1 calc R U . . .
H7"B H 0.569580 0.964462 0.544550 0.169 Uiso 1 1 calc R U . . .
H7"C H 0.563329 0.905685 0.469279 0.169 Uiso 1 1 calc R U . . .
C8B C 0.8240(8) 0.7372(9) 0.6475(5) 0.061(3) Uani 1 1 d . . . . .
C9B C 0.9080(9) 0.8292(9) 0.6616(5) 0.070(3) Uani 1 1 d . . . . .
H9B H 0.899180 0.886428 0.637984 0.084 Uiso 1 1 calc R U . . .
C10B C 1.0062(8) 0.8364(9) 0.7112(5) 0.074(3) Uani 1 1 d . . . . .
H10B H 1.063180 0.897673 0.719867 0.088 Uiso 1 1 calc R U . . .
C11B C 1.0169(9) 0.7530(10) 0.7463(5) 0.066(3) Uani 1 1 d . . . . .
C12B C 0.9365(9) 0.6623(9) 0.7295(5) 0.077(3) Uani 1 1 d . . . . .
H12B H 0.947517 0.604472 0.751605 0.093 Uiso 1 1 calc R U . . .
C13B C 0.8385(9) 0.6521(9) 0.6808(5) 0.066(3) Uani 1 1 d . U . . .
C11" C 1.1206(8) 0.7624(9) 0.8037(5) 0.104(4) Uani 1 1 d . . . . .
H11D H 1.184391 0.809297 0.790454 0.156 Uiso 1 1 calc R U . . .
H11E H 1.134933 0.695521 0.807601 0.156 Uiso 1 1 calc R U . . .
H11F H 1.107498 0.788325 0.849176 0.156 Uiso 1 1 calc R U . . .
C13" C 0.7506(9) 0.5516(9) 0.6641(6) 0.117(4) Uani 1 1 d . U . . .
H13D H 0.679184 0.562229 0.670612 0.176 Uiso 1 1 calc R U . . .
H13E H 0.769649 0.502727 0.695791 0.176 Uiso 1 1 calc R U . . .
H13F H 0.746303 0.525118 0.615198 0.176 Uiso 1 1 calc R U . . .
C14B C 0.7992(8) 0.6548(7) 0.4323(5) 0.057(3) Uani 1 1 d . . . . .
C15B C 0.7118(7) 0.6442(7) 0.3734(4) 0.055(2) Uani 1 1 d . . . . .
C16B C 0.7306(8) 0.6048(7) 0.3070(4) 0.060(3) Uani 1 1 d . . . . .
H16B H 0.675920 0.598444 0.266448 0.072 Uiso 1 1 calc R U . . .
C17B C 0.8283(9) 0.5749(8) 0.2999(6) 0.068(3) Uani 1 1 d . . . . .
C18B C 0.9092(8) 0.5845(8) 0.3596(6) 0.078(3) Uani 1 1 d . . . . .
H18B H 0.973670 0.563171 0.355221 0.094 Uiso 1 1 calc R U . . .
C19B C 0.8977(7) 0.6247(8) 0.4258(5) 0.062(3) Uani 1 1 d . . . . .
C17" C 0.8406(9) 0.5325(9) 0.2262(5) 0.115(4) Uani 1 1 d . . . . .
H17D H 0.795395 0.462369 0.215603 0.172 Uiso 1 1 calc R U . . .
H17E H 0.917924 0.534240 0.225805 0.172 Uiso 1 1 calc R U . . .
H17F H 0.816171 0.574181 0.190596 0.172 Uiso 1 1 calc R U . . .
C19" C 0.9909(7) 0.6380(8) 0.4899(5) 0.085(4) Uani 1 1 d . . . . .
H19D H 1.015436 0.709499 0.509117 0.127 Uiso 1 1 calc R U . . .
H19E H 1.052903 0.616777 0.475142 0.127 Uiso 1 1 calc R U . . .
H19F H 0.963499 0.596211 0.526220 0.127 Uiso 1 1 calc R U . . .
C20B C 0.4346(9) 0.6706(9) 0.1564(5) 0.103(4) Uani 1 1 d . . . . .
H20D H 0.507043 0.700580 0.144450 0.154 Uiso 1 1 calc R U . . .
H20E H 0.380741 0.703697 0.133009 0.154 Uiso 1 1 calc R U . . .
H20F H 0.411904 0.597837 0.140515 0.154 Uiso 1 1 calc R U . . .
C21B C 0.4408(9) 0.6855(8) 0.2365(5) 0.071(3) Uani 1 1 d . . . . .
C22B C 0.3567(9) 0.7174(8) 0.2644(6) 0.076(3) Uani 1 1 d . . . . .
H22B H 0.300044 0.730500 0.231150 0.091 Uiso 1 1 calc R U . . .
C23B C 0.3475(9) 0.7317(9) 0.3355(6) 0.086(4) Uani 1 1 d . . . . .
C24B C 0.2450(8) 0.7603(9) 0.3568(5) 0.109(4) Uani 1 1 d . . . . .
H24D H 0.234170 0.737319 0.402952 0.164 Uiso 1 1 calc R U . . .
H24E H 0.179760 0.727386 0.321608 0.164 Uiso 1 1 calc R U . . .
H24F H 0.256486 0.834073 0.359108 0.164 Uiso 1 1 calc R U . . .
C25 C 1.1103(14) 0.9964(18) 0.5203(11) 0.098(7) Uiso 0.5 1 d D U P A -1
H25A H 1.110415 0.929037 0.535230 0.147 Uiso 0.5 1 calc R U P A -1
H25B H 1.148957 1.048412 0.559012 0.147 Uiso 0.5 1 calc R U P A -1
H25C H 1.147727 1.007229 0.479504 0.147 Uiso 0.5 1 calc R U P A -1
C26 C 1.0051(15) 1.0024(14) 0.5024(9) 0.140(13) Uiso 0.25 1 d D U P A -1
C27 C 0.9434(16) 0.9362(14) 0.4464(8) 0.078(6) Uiso 0.5 1 d D U P A -1
H27 H 0.970353 0.885545 0.424675 0.094 Uiso 0.5 1 calc R U P A -1
C28 C 0.8412(19) 0.948(2) 0.4242(14) 0.214(15) Uiso 0.5 1 d D U P A -1
H28 H 0.796905 0.913196 0.381556 0.257 Uiso 0.5 1 calc R U P A -1
C29 C 0.8043(19) 1.014(3) 0.4666(19) 0.36(2) Uiso 0.5 1 d D U P A -1
H29 H 0.729620 1.015346 0.455503 0.428 Uiso 0.5 1 calc R U P A -1
C30 C 0.870(2) 1.076(2) 0.5241(15) 0.165(11) Uiso 0.5 1 d D U P A -1
H30 H 0.841070 1.121941 0.549674 0.197 Uiso 0.5 1 calc R U P A -1
C31 C 0.9750(17) 1.0725(14) 0.5438(9) 0.082(6) Uiso 0.5 1 d D U P A -1
H31 H 1.023511 1.114150 0.582533 0.099 Uiso 0.5 1 calc R U P A -1
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'
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
O1A Pt1A O2A 89.7(3) . . ?
N1A Pt1A O1A 177.5(3) . . ?
N1A Pt1A O2A 87.9(3) . . ?
C15A Pt1A O1A 90.3(3) . . ?
C15A Pt1A O2A 177.0(3) . . ?
C15A Pt1A N1A 92.1(4) . . ?
C21A O1A Pt1A 125.5(6) . . ?
C23A O2A Pt1A 124.4(7) . . ?
C1A N1A Pt1A 127.3(7) . . ?
C1A N1A C2A 114.5(9) . . ?
C2A N1A Pt1A 118.2(6) . . ?
C1A N2A H2A 109.0 . . ?
C1A N2A C8A 122.0(8) . . ?
C8A N2A H2A 109.3 . . ?
C1A N3A H3A 114.4 . . ?
C1A N3A C14A 131.1(10) . . ?
C14A N3A H3A 114.4 . . ?
N1A C1A N2A 122.9(9) . . ?
N1A C1A N3A 122.1(10) . . ?
N3A C1A N2A 115.0(10) . . ?
C3A C2A N1A 120.9(10) . . ?
C7A C2A N1A 116.4(11) . . ?
C7A C2A C3A 122.6(11) . . ?
C2A C3A H3AA 122.3 . . ?
C2A C3A C4A 115.4(12) . . ?
C4A C3A H3AA 122.3 . . ?
C3A C4A H4A 118.2 . . ?
C5A C4A C3A 123.7(13) . . ?
C5A C4A H4A 118.2 . . ?
C4A C5A C6A 119.8(12) . . ?
C4A C5A C5' 121.5(14) . . ?
C6A C5A C5' 118.6(14) . . ?
C5A C6A H6A 121.3 . . ?
C5A C6A C7A 117.4(12) . . ?
C7A C6A H6A 121.3 . . ?
C2A C7A C6A 121.1(11) . . ?
C2A C7A C7' 123.1(12) . . ?
C6A C7A C7' 115.8(13) . . ?
C5A C5' H5'A 109.5 . . ?
C5A C5' H5'B 109.5 . . ?
C5A C5' H5'C 109.5 . . ?
H5'A C5' H5'B 109.5 . . ?
H5'A C5' H5'C 109.5 . . ?
H5'B C5' H5'C 109.5 . . ?
C7A C7' H7'A 109.5 . . ?
C7A C7' H7'B 109.5 . . ?
C7A C7' H7'C 109.5 . . ?
H7'A C7' H7'B 109.5 . . ?
H7'A C7' H7'C 109.5 . . ?
H7'B C7' H7'C 109.5 . . ?
C9A C8A N2A 120.6(10) . . ?
C9A C8A C13A 118.4(10) . . ?
C13A C8A N2A 121.0(10) . . ?
C8A C9A H9A 118.5 . . ?
C8A C9A C10A 122.9(10) . . ?
C10A C9A H9A 118.5 . . ?
C9A C10A H10A 120.2 . . ?
C9A C10A C11A 119.6(10) . . ?
C11A C10A H10A 120.2 . . ?
C10A C11A C12A 117.0(10) . . ?
C10A C11A C11' 121.1(10) . . ?
C12A C11A C11' 121.9(10) . . ?
C11A C12A H12A 118.1 . . ?
C13A C12A C11A 123.8(10) . . ?
C13A C12A H12A 118.1 . . ?
C8A C13A C13' 121.5(10) . . ?
C12A C13A C8A 118.2(9) . . ?
C12A C13A C13' 120.3(10) . . ?
C11A C11' H11A 109.5 . . ?
C11A C11' H11B 109.5 . . ?
C11A C11' H11C 109.5 . . ?
H11A C11' H11B 109.5 . . ?
H11A C11' H11C 109.5 . . ?
H11B C11' H11C 109.5 . . ?
C13A C13' H13A 109.5 . . ?
C13A C13' H13B 109.5 . . ?
C13A C13' H13C 109.5 . . ?
H13A C13' H13B 109.5 . . ?
H13A C13' H13C 109.5 . . ?
H13B C13' H13C 109.5 . . ?
C15A C14A N3A 120.7(9) . . ?
C15A C14A C19A 123.8(10) . . ?
C19A C14A N3A 115.4(10) . . ?
C14A C15A Pt1A 124.6(7) . . ?
C14A C15A C16A 114.6(9) . . ?
C16A C15A Pt1A 120.7(8) . . ?
C15A C16A H16A 118.2 . . ?
C17A C16A C15A 123.6(10) . . ?
C17A C16A H16A 118.2 . . ?
C16A C17A C17' 120.3(10) . . ?
C18A C17A C16A 117.3(10) . . ?
C18A C17A C17' 122.4(10) . . ?
C17A C18A H18A 118.7 . . ?
C17A C18A C19A 122.6(10) . . ?
C19A C18A H18A 118.7 . . ?
C14A C19A C19' 120.2(10) . . ?
C18A C19A C14A 117.9(10) . . ?
C18A C19A C19' 121.8(10) . . ?
C17A C17' H17A 109.5 . . ?
C17A C17' H17B 109.5 . . ?
C17A C17' H17C 109.5 . . ?
H17A C17' H17B 109.5 . . ?
H17A C17' H17C 109.5 . . ?
H17B C17' H17C 109.5 . . ?
C19A C19' H19A 109.5 . . ?
C19A C19' H19B 109.5 . . ?
C19A C19' H19C 109.5 . . ?
H19A C19' H19B 109.5 . . ?
H19A C19' H19C 109.5 . . ?
H19B C19' H19C 109.5 . . ?
H20A C20A H20B 109.5 . . ?
H20A C20A H20C 109.5 . . ?
H20B C20A H20C 109.5 . . ?
C21A C20A H20A 109.5 . . ?
C21A C20A H20B 109.5 . . ?
C21A C20A H20C 109.5 . . ?
O1A C21A C20A 114.8(9) . . ?
O1A C21A C22A 125.6(10) . . ?
C22A C21A C20A 119.5(10) . . ?
C21A C22A H22A 117.0 . . ?
C21A C22A C23A 126.1(10) . . ?
C23A C22A H22A 117.0 . . ?
O2A C23A C22A 126.7(10) . . ?
O2A C23A C24A 114.0(10) . . ?
C22A C23A C24A 119.2(10) . . ?
C23A C24A H24A 109.5 . . ?
C23A C24A H24B 109.5 . . ?
C23A C24A H24C 109.5 . . ?
H24A C24A H24B 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
O1B Pt1B O2B 90.0(2) . . ?
N1B Pt1B O1B 177.8(3) . . ?
N1B Pt1B O2B 87.8(3) . . ?
N1B Pt1B C15B 92.3(3) . . ?
C15B Pt1B O1B 89.9(3) . . ?
C15B Pt1B O2B 179.5(3) . . ?
C21B O1B Pt1B 125.4(6) . . ?
C23B O2B Pt1B 125.0(7) . . ?
C1B N1B Pt1B 127.0(6) . . ?
C1B N1B C2B 115.0(7) . . ?
C2B N1B Pt1B 117.8(6) . . ?
C1B N2B H2B 118.1 . . ?
C1B N2B C8B 123.9(7) . . ?
C8B N2B H2B 118.1 . . ?
C1B N3B H3B 114.2 . . ?
C1B N3B C14B 131.5(8) . . ?
C14B N3B H3B 114.2 . . ?
N1B C1B N2B 122.9(8) . . ?
N1B C1B N3B 122.0(8) . . ?
N3B C1B N2B 115.1(8) . . ?
C3B C2B N1B 119.1(12) . . ?
C3B C2B C7B 123.6(11) . . ?
C7B C2B N1B 117.2(11) . . ?
C2B C3B H3BA 122.1 . . ?
C2B C3B C4B 115.8(12) . . ?
C4B C3B H3BA 122.1 . . ?
C3B C4B H4B 118.4 . . ?
C3B C4B C5B 123.1(12) . . ?
C5B C4B H4B 118.4 . . ?
C4B C5B C5" 119.0(14) . . ?
C6B C5B C4B 117.1(11) . . ?
C6B C5B C5" 123.9(14) . . ?
C5B C6B H6B 119.3 . . ?
C7B C6B C5B 121.3(13) . . ?
C7B C6B H6B 119.3 . . ?
C2B C7B C6B 119.1(12) . . ?
C2B C7B C7" 123.1(11) . . ?
C6B C7B C7" 117.8(13) . . ?
C5B C5" H5"A 109.5 . . ?
C5B C5" H5"B 109.5 . . ?
C5B C5" H5"C 109.5 . . ?
H5"A C5" H5"B 109.5 . . ?
H5"A C5" H5"C 109.5 . . ?
H5"B C5" H5"C 109.5 . . ?
C7B C7" H7"A 109.5 . . ?
C7B C7" H7"B 109.5 . . ?
C7B C7" H7"C 109.5 . . ?
H7"A C7" H7"B 109.5 . . ?
H7"A C7" H7"C 109.5 . . ?
H7"B C7" H7"C 109.5 . . ?
C9B C8B N2B 118.6(10) . . ?
C13B C8B N2B 121.7(11) . . ?
C13B C8B C9B 119.7(9) . . ?
C8B C9B H9B 119.8 . . ?
C8B C9B C10B 120.4(9) . . ?
C10B C9B H9B 119.8 . . ?
C9B C10B H10B 120.4 . . ?
C11B C10B C9B 119.1(11) . . ?
C11B C10B H10B 120.4 . . ?
C10B C11B C11" 119.4(11) . . ?
C12B C11B C10B 119.6(10) . . ?
C12B C11B C11" 121.0(10) . . ?
C11B C12B H12B 118.6 . . ?
C11B C12B C13B 122.8(10) . . ?
C13B C12B H12B 118.6 . . ?
C8B C13B C12B 118.2(10) . . ?
C8B C13B C13" 120.2(10) . . ?
C12B C13B C13" 121.6(10) . . ?
C11B C11" H11D 109.5 . . ?
C11B C11" H11E 109.5 . . ?
C11B C11" H11F 109.5 . . ?
H11D C11" H11E 109.5 . . ?
H11D C11" H11F 109.5 . . ?
H11E C11" H11F 109.5 . . ?
C13B C13" H13D 109.5 . . ?
C13B C13" H13E 109.5 . . ?
C13B C13" H13F 109.5 . . ?
H13D C13" H13E 109.5 . . ?
H13D C13" H13F 109.5 . . ?
H13E C13" H13F 109.5 . . ?
N3B C14B C15B 121.2(8) . . ?
N3B C14B C19B 116.7(8) . . ?
C19B C14B C15B 122.1(9) . . ?
C14B C15B Pt1B 123.3(6) . . ?
C16B C15B Pt1B 120.7(7) . . ?
C16B C15B C14B 116.0(8) . . ?
C15B C16B H16B 118.8 . . ?
C17B C16B C15B 122.4(9) . . ?
C17B C16B H16B 118.8 . . ?
C16B C17B C17" 118.5(9) . . ?
C18B C17B C16B 118.9(9) . . ?
C18B C17B C17" 122.6(10) . . ?
C17B C18B H18B 119.1 . . ?
C17B C18B C19B 121.9(9) . . ?
C19B C18B H18B 119.1 . . ?
C14B C19B C19" 120.9(9) . . ?
C18B C19B C14B 118.7(9) . . ?
C18B C19B C19" 120.3(8) . . ?
C17B C17" H17D 109.5 . . ?
C17B C17" H17E 109.5 . . ?
C17B C17" H17F 109.5 . . ?
H17D C17" H17E 109.5 . . ?
H17D C17" H17F 109.5 . . ?
H17E C17" H17F 109.5 . . ?
C19B C19" H19D 109.5 . . ?
C19B C19" H19E 109.5 . . ?
C19B C19" H19F 109.5 . . ?
H19D C19" H19E 109.5 . . ?
H19D C19" H19F 109.5 . . ?
H19E C19" H19F 109.5 . . ?
H20D C20B H20E 109.5 . . ?
H20D C20B H20F 109.5 . . ?
H20E C20B H20F 109.5 . . ?
C21B C20B H20D 109.5 . . ?
C21B C20B H20E 109.5 . . ?
C21B C20B H20F 109.5 . . ?
O1B C21B C20B 113.7(9) . . ?
O1B C21B C22B 126.4(9) . . ?
C22B C21B C20B 119.9(10) . . ?
C21B C22B H22B 116.2 . . ?
C23B C22B C21B 127.5(10) . . ?
C23B C22B H22B 116.2 . . ?
O2B C23B C22B 125.5(11) . . ?
O2B C23B C24B 113.9(9) . . ?
C22B C23B C24B 120.6(10) . . ?
C23B C24B H24D 109.5 . . ?
C23B C24B H24E 109.5 . . ?
C23B C24B H24F 109.5 . . ?
H24D C24B H24E 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
C25 C26 C27 115.2(14) . . ?
C25 C26 C31 115.4(14) . . ?
C27 C26 C31 129.3(14) . . ?
C26 C27 H27 122.2 . . ?
C28 C27 C26 115.5(13) . . ?
C28 C27 H27 122.2 . . ?
C27 C28 H28 121.5 . . ?
C27 C28 C29 116.9(14) . . ?
C29 C28 H28 121.5 . . ?
C28 C29 H29 118.0 . . ?
C30 C29 C28 124.0(15) . . ?
C30 C29 H29 118.0 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 119.9(14) . . ?
C31 C30 H30 120.0 . . ?
C26 C31 H31 123.2 . . ?
C30 C31 C26 113.6(13) . . ?
C30 C31 H31 123.2 . . ?
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
Pt1A O1A 2.015(7) . ?
Pt1A O2A 2.086(6) . ?
Pt1A N1A 1.996(8) . ?
Pt1A C15A 1.992(8) . ?
O1A C21A 1.291(10) . ?
O2A C23A 1.239(11) . ?
N1A C1A 1.302(12) . ?
N1A C2A 1.455(11) . ?
N2A H2A 0.8597 . ?
N2A C1A 1.367(12) . ?
N2A C8A 1.412(11) . ?
N3A H3A 0.8600 . ?
N3A C1A 1.340(10) . ?
N3A C14A 1.418(11) . ?
C2A C3A 1.378(13) . ?
C2A C7A 1.352(13) . ?
C3A H3AA 0.9300 . ?
C3A C4A 1.400(13) . ?
C4A H4A 0.9300 . ?
C4A C5A 1.369(15) . ?
C5A C6A 1.377(14) . ?
C5A C5' 1.557(13) . ?
C6A H6A 0.9300 . ?
C6A C7A 1.418(14) . ?
C7A C7' 1.450(13) . ?
C5' H5'A 0.9600 . ?
C5' H5'B 0.9600 . ?
C5' H5'C 0.9600 . ?
C7' H7'A 0.9600 . ?
C7' H7'B 0.9600 . ?
C7' H7'C 0.9600 . ?
C8A C9A 1.376(12) . ?
C8A C13A 1.401(12) . ?
C9A H9A 0.9300 . ?
C9A C10A 1.387(12) . ?
C10A H10A 0.9300 . ?
C10A C11A 1.388(12) . ?
C11A C12A 1.398(12) . ?
C11A C11' 1.517(12) . ?
C12A H12A 0.9300 . ?
C12A C13A 1.381(12) . ?
C13A C13' 1.498(12) . ?
C11' H11A 0.9600 . ?
C11' H11B 0.9600 . ?
C11' H11C 0.9600 . ?
C13' H13A 0.9600 . ?
C13' H13B 0.9600 . ?
C13' H13C 0.9600 . ?
C14A C15A 1.369(12) . ?
C14A C19A 1.406(11) . ?
C15A C16A 1.411(11) . ?
C16A H16A 0.9300 . ?
C16A C17A 1.403(11) . ?
C17A C18A 1.361(13) . ?
C17A C17' 1.505(12) . ?
C18A H18A 0.9300 . ?
C18A C19A 1.366(13) . ?
C19A C19' 1.546(14) . ?
C17' H17A 0.9600 . ?
C17' H17B 0.9600 . ?
C17' H17C 0.9600 . ?
C19' H19A 0.9600 . ?
C19' H19B 0.9600 . ?
C19' H19C 0.9600 . ?
C20A H20A 0.9600 . ?
C20A H20B 0.9600 . ?
C20A H20C 0.9600 . ?
C20A C21A 1.508(12) . ?
C21A C22A 1.393(11) . ?
C22A H22A 0.9300 . ?
C22A C23A 1.397(12) . ?
C23A C24A 1.520(12) . ?
C24A H24A 0.9600 . ?
C24A H24B 0.9600 . ?
C24A H24C 0.9600 . ?
Pt1B O1B 2.019(5) . ?
Pt1B O2B 2.089(6) . ?
Pt1B N1B 1.995(6) . ?
Pt1B C15B 1.998(9) . ?
O1B C21B 1.281(10) . ?
O2B C23B 1.268(10) . ?
N1B C1B 1.304(9) . ?
N1B C2B 1.464(11) . ?
N2B H2B 0.8600 . ?
N2B C1B 1.369(9) . ?
N2B C8B 1.440(10) . ?
N3B H3B 0.8600 . ?
N3B C1B 1.360(9) . ?
N3B C14B 1.395(9) . ?
C2B C3B 1.371(14) . ?
C2B C7B 1.378(15) . ?
C3B H3BA 0.9300 . ?
C3B C4B 1.404(13) . ?
C4B H4B 0.9300 . ?
C4B C5B 1.409(15) . ?
C5B C6B 1.386(15) . ?
C5B C5" 1.517(12) . ?
C6B H6B 0.9300 . ?
C6B C7B 1.381(12) . ?
C7B C7" 1.470(14) . ?
C5" H5"A 0.9600 . ?
C5" H5"B 0.9600 . ?
C5" H5"C 0.9600 . ?
C7" H7"A 0.9600 . ?
C7" H7"B 0.9600 . ?
C7" H7"C 0.9600 . ?
C8B C9B 1.387(13) . ?
C8B C13B 1.370(12) . ?
C9B H9B 0.9300 . ?
C9B C10B 1.403(11) . ?
C10B H10B 0.9300 . ?
C10B C11B 1.356(12) . ?
C11B C12B 1.355(13) . ?
C11B C11" 1.531(11) . ?
C12B H12B 0.9300 . ?
C12B C13B 1.385(12) . ?
C13B C13" 1.492(13) . ?
C11" H11D 0.9600 . ?
C11" H11E 0.9600 . ?
C11" H11F 0.9600 . ?
C13" H13D 0.9600 . ?
C13" H13E 0.9600 . ?
C13" H13F 0.9600 . ?
C14B C15B 1.408(11) . ?
C14B C19B 1.404(11) . ?
C15B C16B 1.408(10) . ?
C16B H16B 0.9300 . ?
C16B C17B 1.396(11) . ?
C17B C18B 1.371(12) . ?
C17B C17" 1.518(12) . ?
C18B H18B 0.9300 . ?
C18B C19B 1.376(12) . ?
C19B C19" 1.515(11) . ?
C17" H17D 0.9600 . ?
C17" H17E 0.9600 . ?
C17" H17F 0.9600 . ?
C19" H19D 0.9600 . ?
C19" H19E 0.9600 . ?
C19" H19F 0.9600 . ?
C20B H20D 0.9600 . ?
C20B H20E 0.9600 . ?
C20B H20F 0.9600 . ?
C20B C21B 1.504(11) . ?
C21B C22B 1.386(12) . ?
C22B H22B 0.9300 . ?
C22B C23B 1.374(12) . ?
C23B C24B 1.523(12) . ?
C24B H24D 0.9600 . ?
C24B H24E 0.9600 . ?
C24B H24F 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C25 C26 1.328(16) . ?
C26 C27 1.343(11) . ?
C26 C31 1.346(11) . ?
C27 H27 0.9300 . ?
C27 C28 1.331(11) . ?
C28 H28 0.9300 . ?
C28 C29 1.361(12) . ?
C29 H29 0.9300 . ?
C29 C30 1.358(12) . ?
C30 H30 0.9300 . ?
C30 C31 1.319(11) . ?
C31 H31 0.9300 . ?
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
Pt1A O1A C21A C20A 177.1(5) . . . . ?
Pt1A O1A C21A C22A -6.7(12) . . . . ?
Pt1A O2A C23A C22A 9.6(15) . . . . ?
Pt1A O2A C23A C24A -173.0(6) . . . . ?
Pt1A N1A C1A N2A -177.9(6) . . . . ?
Pt1A N1A C1A N3A 3.9(14) . . . . ?
Pt1A N1A C2A C3A 89.8(11) . . . . ?
Pt1A N1A C2A C7A -88.5(10) . . . . ?
Pt1A C15A C16A C17A 178.8(6) . . . . ?
O1A C21A C22A C23A -4.0(15) . . . . ?
N1A C2A C3A C4A 179.4(10) . . . . ?
N1A C2A C7A C6A -179.4(10) . . . . ?
N1A C2A C7A C7' -1.0(18) . . . . ?
N2A C8A C9A C10A 178.5(9) . . . . ?
N2A C8A C13A C12A -177.7(9) . . . . ?
N2A C8A C13A C13' 0.3(14) . . . . ?
N3A C14A C15A Pt1A 5.8(12) . . . . ?
N3A C14A C15A C16A -176.4(7) . . . . ?
N3A C14A C19A C18A 176.5(8) . . . . ?
N3A C14A C19A C19' -4.8(13) . . . . ?
C1A N1A C2A C3A -86.7(12) . . . . ?
C1A N1A C2A C7A 95.1(12) . . . . ?
C1A N2A C8A C9A -101.0(12) . . . . ?
C1A N2A C8A C13A 79.4(12) . . . . ?
C1A N3A C14A C15A -17.0(15) . . . . ?
C1A N3A C14A C19A 164.7(9) . . . . ?
C2A N1A C1A N2A -1.8(14) . . . . ?
C2A N1A C1A N3A 180.0(9) . . . . ?
C2A C3A C4A C5A 1.3(19) . . . . ?
C3A C2A C7A C6A 2.4(19) . . . . ?
C3A C2A C7A C7' -179.2(11) . . . . ?
C3A C4A C5A C6A 0(2) . . . . ?
C3A C4A C5A C5' -177.1(11) . . . . ?
C4A C5A C6A C7A -0.2(19) . . . . ?
C5A C6A C7A C2A -0.9(19) . . . . ?
C5A C6A C7A C7' -179.5(11) . . . . ?
C7A C2A C3A C4A -2.5(17) . . . . ?
C5' C5A C6A C7A 176.9(11) . . . . ?
C8A N2A C1A N1A -179.8(9) . . . . ?
C8A N2A C1A N3A -1.5(14) . . . . ?
C8A C9A C10A C11A -0.6(16) . . . . ?
C9A C8A C13A C12A 2.7(14) . . . . ?
C9A C8A C13A C13' -179.2(9) . . . . ?
C9A C10A C11A C12A 2.0(14) . . . . ?
C9A C10A C11A C11' -178.5(9) . . . . ?
C10A C11A C12A C13A -1.1(15) . . . . ?
C11A C12A C13A C8A -1.3(15) . . . . ?
C11A C12A C13A C13' -179.3(9) . . . . ?
C13A C8A C9A C10A -1.9(15) . . . . ?
C11' C11A C12A C13A 179.4(9) . . . . ?
C14A N3A C1A N1A 11.8(16) . . . . ?
C14A N3A C1A N2A -166.6(9) . . . . ?
C14A C15A C16A C17A 1.0(12) . . . . ?
C15A C14A C19A C18A -1.8(15) . . . . ?
C15A C14A C19A C19' 176.9(9) . . . . ?
C15A C16A C17A C18A -3.7(13) . . . . ?
C15A C16A C17A C17' 176.7(8) . . . . ?
C16A C17A C18A C19A 3.7(15) . . . . ?
C17A C18A C19A C14A -1.2(15) . . . . ?
C17A C18A C19A C19' -179.8(9) . . . . ?
C19A C14A C15A Pt1A -175.9(7) . . . . ?
C19A C14A C15A C16A 1.8(13) . . . . ?
C17' C17A C18A C19A -176.7(9) . . . . ?
C20A C21A C22A C23A 172.0(8) . . . . ?
C21A C22A C23A O2A 2.2(16) . . . . ?
C21A C22A C23A C24A -175.1(9) . . . . ?
Pt1B O1B C21B C20B 178.6(6) . . . . ?
Pt1B O1B C21B C22B -0.3(16) . . . . ?
Pt1B O2B C23B C22B 1.2(17) . . . . ?
Pt1B O2B C23B C24B 179.9(7) . . . . ?
Pt1B N1B C1B N2B 169.9(7) . . . . ?
Pt1B N1B C1B N3B -9.1(14) . . . . ?
Pt1B N1B C2B C3B 87.9(9) . . . . ?
Pt1B N1B C2B C7B -87.9(11) . . . . ?
Pt1B C15B C16B C17B -178.5(7) . . . . ?
O1B C21B C22B C23B -3(2) . . . . ?
N1B C2B C3B C4B -177.5(8) . . . . ?
N1B C2B C7B C6B 178.2(8) . . . . ?
N1B C2B C7B C7" -2.0(16) . . . . ?
N2B C8B C9B C10B 174.7(8) . . . . ?
N2B C8B C13B C12B -174.5(8) . . . . ?
N2B C8B C13B C13" 5.8(14) . . . . ?
N3B C14B C15B Pt1B 0.4(13) . . . . ?
N3B C14B C15B C16B 180.0(8) . . . . ?
N3B C14B C19B C18B 178.6(9) . . . . ?
N3B C14B C19B C19" -2.5(14) . . . . ?
C1B N1B C2B C3B -96.6(12) . . . . ?
C1B N1B C2B C7B 87.6(11) . . . . ?
C1B N2B C8B C9B 92.6(12) . . . . ?
C1B N2B C8B C13B -90.8(12) . . . . ?
C1B N3B C14B C15B 13.2(16) . . . . ?
C1B N3B C14B C19B -164.9(10) . . . . ?
C2B N1B C1B N2B -5.1(15) . . . . ?
C2B N1B C1B N3B 175.9(10) . . . . ?
C2B C3B C4B C5B 0.1(16) . . . . ?
C3B C2B C7B C6B 2.5(17) . . . . ?
C3B C2B C7B C7" -177.7(9) . . . . ?
C3B C4B C5B C6B 1.1(17) . . . . ?
C3B C4B C5B C5" -177.3(9) . . . . ?
C4B C5B C6B C7B -0.5(16) . . . . ?
C5B C6B C7B C2B -1.2(16) . . . . ?
C5B C6B C7B C7" 179.0(9) . . . . ?
C7B C2B C3B C4B -2.0(15) . . . . ?
C5" C5B C6B C7B 177.8(10) . . . . ?
C8B N2B C1B N1B 174.4(10) . . . . ?
C8B N2B C1B N3B -6.5(15) . . . . ?
C8B C9B C10B C11B -1.3(14) . . . . ?
C9B C8B C13B C12B 2.0(14) . . . . ?
C9B C8B C13B C13" -177.8(10) . . . . ?
C9B C10B C11B C12B 4.4(15) . . . . ?
C9B C10B C11B C11" -176.4(8) . . . . ?
C10B C11B C12B C13B -4.5(16) . . . . ?
C11B C12B C13B C8B 1.2(16) . . . . ?
C11B C12B C13B C13" -179.1(10) . . . . ?
C13B C8B C9B C10B -1.9(14) . . . . ?
C11" C11B C12B C13B 176.3(9) . . . . ?
C14B N3B C1B N1B -8.7(17) . . . . ?
C14B N3B C1B N2B 172.1(9) . . . . ?
C14B C15B C16B C17B 1.8(14) . . . . ?
C15B C14B C19B C18B 0.5(15) . . . . ?
C15B C14B C19B C19" 179.4(9) . . . . ?
C15B C16B C17B C18B -0.2(15) . . . . ?
C15B C16B C17B C17" 179.5(9) . . . . ?
C16B C17B C18B C19B -1.4(16) . . . . ?
C17B C18B C19B C14B 1.3(16) . . . . ?
C17B C18B C19B C19" -177.6(10) . . . . ?
C19B C14B C15B Pt1B 178.4(7) . . . . ?
C19B C14B C15B C16B -2.0(14) . . . . ?
C17" C17B C18B C19B 178.8(10) . . . . ?
C20B C21B C22B C23B 177.9(11) . . . . ?
C21B C22B C23B O2B 3(2) . . . . ?
C21B C22B C23B C24B -175.9(11) . . . . ?
C25 C26 C27 C28 -174.3(19) . . . . ?
C25 C26 C31 C30 179.8(18) . . . . ?
C26 C27 C28 C29 -10(4) . . . . ?
C27 C26 C31 C30 -2(3) . . . . ?
C27 C28 C29 C30 9(6) . . . . ?
C28 C29 C30 C31 -3(7) . . . . ?
C29 C30 C31 C26 -1(4) . . . . ?
C31 C26 C27 C28 7(3) . . . . ?
