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#$Date: 2024-04-24 04:02:58 +0300 (Wed, 24 Apr 2024) $
#$Revision: 291344 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/85/7248520.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_7248520
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         'C28 H26 N4 O5 Pt'
_chemical_formula_sum            'C28 H26 N4 O5 Pt'
_chemical_formula_weight         693.62
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-12-28 deposited with the CCDC.	2024-04-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.968(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9894(3)
_cell_length_b                   22.7931(7)
_cell_length_c                   11.6752(3)
_cell_measurement_reflns_used    10869
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.3710
_cell_measurement_theta_min      3.7190
_cell_volume                     2651.95(13)
_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
_computing_publication_material  Wingx-2014
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    SHELXL-2016
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 15.9853
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_av_unetI/netI     0.0282
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            36627
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.367
_diffrn_reflns_theta_min         3.306
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    5.336
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38289
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.020
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.836
_refine_diff_density_min         -0.764
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.195
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5400
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.195
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0401
_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)+(0.0188P)²+5.1586P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0708
_refine_ls_wR_factor_ref         0.0731
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4871
_reflns_number_total             5400
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ra00828f3.cif
_cod_data_source_block           Complex-19
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7248520
_shelx_shelxl_version_number     2018/3
_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_min   0.901
_shelx_estimated_absorpt_t_max   0.949
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_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
Pt01 Pt -0.23696(2) 0.06083(2) 1.33013(2) 0.04238(8) Uani 1 1 d . . . . .
O1 O -0.2216(4) 0.04321(18) 0.9934(4) 0.0662(11) Uani 1 1 d . . . . .
O2 O -0.5024(4) 0.0998(2) 0.8485(4) 0.0764(13) Uani 1 1 d . . . . .
O3 O -0.6200(4) 0.2206(2) 1.2894(4) 0.0804(14) Uani 1 1 d . . . . .
O4 O -0.0903(4) 0.00343(17) 1.2697(3) 0.0559(10) Uani 1 1 d . . . . .
O5 O 0.0440(5) -0.0697(2) 1.3322(4) 0.0827(14) Uani 1 1 d . . . . .
N1 N -0.2437(4) 0.11016(18) 1.1874(3) 0.0405(10) Uani 1 1 d . . . . .
N2 N -0.3715(4) 0.1467(2) 1.0278(4) 0.0522(11) Uani 1 1 d . . . . .
H2 H -0.309885 0.134960 0.985266 0.063 Uiso 1 1 calc R U . . .
N3 N -0.4617(4) 0.14408(19) 1.2056(4) 0.0480(11) Uani 1 1 d . . . . .
H3 H -0.539926 0.147443 1.170600 0.058 Uiso 1 1 calc R U . . .
N4 N -0.2290(4) 0.0005(2) 1.4560(3) 0.0466(11) Uani 1 1 d . . . . .
C1 C -0.3559(5) 0.1328(2) 1.1414(4) 0.0423(12) Uani 1 1 d . . . . .
C2 C -0.1264(5) 0.1123(2) 1.1215(4) 0.0427(12) Uani 1 1 d . . . . .
C3 C -0.0227(6) 0.1491(3) 1.1583(5) 0.0569(15) Uani 1 1 d . . . . .
H3A H -0.029303 0.171265 1.224591 0.068 Uiso 1 1 calc R U . . .
C4 C 0.0912(6) 0.1535(3) 1.0977(7) 0.075(2) Uani 1 1 d . . . . .
H4 H 0.159855 0.179094 1.121926 0.090 Uiso 1 1 calc R U . . .
C5 C 0.1015(7) 0.1204(4) 1.0036(7) 0.083(2) Uani 1 1 d . . . . .
H5 H 0.179043 0.122996 0.964221 0.100 Uiso 1 1 calc R U . . .
C6 C 0.0012(7) 0.0829(3) 0.9636(5) 0.0714(19) Uani 1 1 d . . . . .
H6 H 0.010118 0.060961 0.897365 0.086 Uiso 1 1 calc R U . . .
C7 C -0.1144(6) 0.0782(3) 1.0240(5) 0.0514(14) Uani 1 1 d . . . . .
C7' C -0.2242(8) 0.0147(3) 0.8823(6) 0.092(3) Uani 1 1 d . . . . .
H7'1 H -0.304231 -0.008536 0.870998 0.139 Uiso 1 1 calc R U . . .
H7'2 H -0.223249 0.043884 0.823080 0.139 Uiso 1 1 calc R U . . .
H7'3 H -0.146968 -0.010149 0.879199 0.139 Uiso 1 1 calc R U . . .
C8 C -0.4792(5) 0.1788(2) 0.9729(5) 0.0490(13) Uani 1 1 d . . . . .
C9 C -0.5132(7) 0.2344(3) 1.0079(7) 0.0743(19) Uani 1 1 d . . . . .
H9 H -0.466993 0.251993 1.070729 0.089 Uiso 1 1 calc R U . . .
C10 C -0.6185(8) 0.2638(3) 0.9471(8) 0.093(3) Uani 1 1 d . . . . .
H10 H -0.642866 0.301131 0.969989 0.111 Uiso 1 1 calc R U . . .
C11 C -0.6856(8) 0.2382(4) 0.8546(8) 0.098(3) Uani 1 1 d . . . . .
H11 H -0.756341 0.257993 0.815501 0.118 Uiso 1 1 calc R U . . .
C12 C -0.6497(6) 0.1839(4) 0.8190(6) 0.079(2) Uani 1 1 d . . . . .
H12 H -0.694428 0.167122 0.754570 0.094 Uiso 1 1 calc R U . . .
C13 C -0.5466(6) 0.1533(3) 0.8785(5) 0.0561(15) Uani 1 1 d . . . . .
C13' C -0.5855(8) 0.0646(4) 0.7748(8) 0.112(3) Uani 1 1 d . . . . .
H13A H -0.540882 0.028151 0.761405 0.168 Uiso 1 1 calc R U . . .
H13B H -0.668028 0.056904 0.809558 0.168 Uiso 1 1 calc R U . . .
H13C H -0.604209 0.084580 0.703143 0.168 Uiso 1 1 calc R U . . .
C14 C -0.4509(5) 0.1506(2) 1.3268(4) 0.0453(12) Uani 1 1 d . . . . .
C15 C -0.3612(5) 0.1181(2) 1.3963(4) 0.0444(12) Uani 1 1 d . . . . .
C16 C -0.3566(6) 0.1313(3) 1.5144(5) 0.0573(15) Uani 1 1 d . . . . .
H16 H -0.294909 0.112000 1.564401 0.069 Uiso 1 1 calc R U . . .
C17 C -0.4418(7) 0.1722(3) 1.5574(6) 0.0712(19) Uani 1 1 d . . . . .
H17 H -0.437453 0.179262 1.636014 0.085 Uiso 1 1 calc R U . . .
C18 C -0.5330(7) 0.2028(3) 1.4866(6) 0.075(2) Uani 1 1 d . . . . .
H18 H -0.590991 0.229733 1.516841 0.089 Uiso 1 1 calc R U . . .
C19 C -0.5366(6) 0.1929(3) 1.3700(5) 0.0602(16) Uani 1 1 d . . . . .
C19' C -0.6839(11) 0.2727(5) 1.3203(9) 0.173(6) Uani 1 1 d . . . . .
H19A H -0.738859 0.287187 1.255746 0.259 Uiso 1 1 calc R U . . .
H19B H -0.739016 0.264919 1.382778 0.259 Uiso 1 1 calc R U . . .
H19C H -0.617475 0.301559 1.343603 0.259 Uiso 1 1 calc R U . . .
C20 C -0.3148(6) -0.0062(3) 1.5399(5) 0.0567(15) Uani 1 1 d . . . . .
H20 H -0.383338 0.020957 1.545819 0.068 Uiso 1 1 calc R U . . .
C21 C -0.3038(8) -0.0517(3) 1.6160(5) 0.0712(19) Uani 1 1 d . . . . .
H21 H -0.365055 -0.055490 1.671962 0.085 Uiso 1 1 calc R U . . .
C22 C -0.2025(8) -0.0918(3) 1.6097(6) 0.081(2) Uani 1 1 d . . . . .
H22 H -0.192774 -0.122359 1.662346 0.097 Uiso 1 1 calc R U . . .
C23 C -0.1149(7) -0.0859(3) 1.5237(6) 0.0737(19) Uani 1 1 d . . . . .
H23 H -0.044768 -0.112351 1.518324 0.088 Uiso 1 1 calc R U . . .
C24 C -0.1324(6) -0.0407(3) 1.4463(5) 0.0533(14) Uani 1 1 d . . . . .
C25 C -0.0498(6) -0.0356(3) 1.3421(5) 0.0576(15) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C15 Pt01 N1 88.23(19) . . ?
C15 Pt01 N4 99.1(2) . . ?
N1 Pt01 N4 170.90(16) . . ?
C15 Pt01 O4 174.70(17) . . ?
N1 Pt01 O4 93.07(15) . . ?
N4 Pt01 O4 80.12(17) . . ?
C7 O1 C7' 117.5(5) . . ?
C13 O2 C13' 119.0(6) . . ?
C19 O3 C19' 118.6(6) . . ?
C25 O4 Pt01 113.9(4) . . ?
C1 N1 C2 117.9(4) . . ?
C1 N1 Pt01 122.5(3) . . ?
C2 N1 Pt01 118.6(3) . . ?
C1 N2 C8 126.3(4) . . ?
C1 N2 H2 116.8 . . ?
C8 N2 H2 116.8 . . ?
C1 N3 C14 124.1(4) . . ?
C1 N3 H3 118.0 . . ?
C14 N3 H3 118.0 . . ?
C20 N4 C24 118.1(5) . . ?
C20 N4 Pt01 127.7(4) . . ?
C24 N4 Pt01 113.9(4) . . ?
N1 C1 N2 121.7(4) . . ?
N1 C1 N3 121.4(5) . . ?
N2 C1 N3 116.8(5) . . ?
C3 C2 C7 119.3(5) . . ?
C3 C2 N1 118.2(5) . . ?
C7 C2 N1 122.4(5) . . ?
C2 C3 C4 120.7(6) . . ?
C2 C3 H3A 119.7 . . ?
C4 C3 H3A 119.7 . . ?
C5 C4 C3 119.4(7) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C4 C5 C6 122.2(6) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C5 C6 C7 118.9(6) . . ?
C5 C6 H6 120.5 . . ?
C7 C6 H6 120.5 . . ?
O1 C7 C2 115.5(5) . . ?
O1 C7 C6 125.0(5) . . ?
C2 C7 C6 119.5(6) . . ?
O1 C7' H7'1 109.5 . . ?
O1 C7' H7'2 109.5 . . ?
H7'1 C7' H7'2 109.5 . . ?
O1 C7' H7'3 109.5 . . ?
H7'1 C7' H7'3 109.5 . . ?
H7'2 C7' H7'3 109.5 . . ?
C13 C8 C9 120.4(6) . . ?
C13 C8 N2 117.3(5) . . ?
C9 C8 N2 122.2(6) . . ?
C8 C9 C10 118.7(7) . . ?
C8 C9 H9 120.6 . . ?
C10 C9 H9 120.6 . . ?
C11 C10 C9 120.7(8) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 120.3(7) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C13 120.3(8) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
O2 C13 C8 115.8(5) . . ?
O2 C13 C12 124.5(6) . . ?
C8 C13 C12 119.6(6) . . ?
O2 C13' H13A 109.5 . . ?
O2 C13' H13B 109.5 . . ?
H13A C13' H13B 109.5 . . ?
O2 C13' H13C 109.5 . . ?
H13A C13' H13C 109.5 . . ?
H13B C13' H13C 109.5 . . ?
C15 C14 C19 122.9(5) . . ?
C15 C14 N3 122.0(4) . . ?
C19 C14 N3 115.1(5) . . ?
C14 C15 C16 115.8(5) . . ?
C14 C15 Pt01 121.3(4) . . ?
C16 C15 Pt01 122.7(4) . . ?
C17 C16 C15 121.4(6) . . ?
C17 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
C18 C17 C16 121.5(6) . . ?
C18 C17 H17 119.2 . . ?
C16 C17 H17 119.2 . . ?
C19 C18 C17 118.7(6) . . ?
C19 C18 H18 120.6 . . ?
C17 C18 H18 120.6 . . ?
O3 C19 C18 125.2(6) . . ?
O3 C19 C14 115.3(5) . . ?
C18 C19 C14 119.5(6) . . ?
O3 C19' H19A 109.5 . . ?
O3 C19' H19B 109.5 . . ?
H19A C19' H19B 109.5 . . ?
O3 C19' H19C 109.5 . . ?
H19A C19' H19C 109.5 . . ?
H19B C19' H19C 109.5 . . ?
N4 C20 C21 122.1(6) . . ?
N4 C20 H20 119.0 . . ?
C21 C20 H20 119.0 . . ?
C20 C21 C22 119.9(6) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 C23 118.8(6) . . ?
C21 C22 H22 120.6 . . ?
C23 C22 H22 120.6 . . ?
C24 C23 C22 119.5(7) . . ?
C24 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
N4 C24 C23 121.6(6) . . ?
N4 C24 C25 116.2(5) . . ?
C23 C24 C25 122.1(6) . . ?
O5 C25 O4 126.0(6) . . ?
O5 C25 C24 119.1(6) . . ?
O4 C25 C24 114.8(5) . . ?
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
Pt01 C15 1.993(5) . ?
Pt01 N1 2.007(4) . ?
Pt01 N4 2.009(4) . ?
Pt01 O4 2.121(4) . ?
O1 C7 1.364(7) . ?
O1 C7' 1.450(7) . ?
O2 C13 1.351(7) . ?
O2 C13' 1.406(8) . ?
O3 C19 1.368(8) . ?
O3 C19' 1.407(9) . ?
O4 C25 1.273(7) . ?
O5 C25 1.230(7) . ?
N1 C1 1.315(6) . ?
N1 C2 1.447(6) . ?
N2 C1 1.362(6) . ?
N2 C8 1.416(7) . ?
N2 H2 0.8600 . ?
N3 C1 1.362(6) . ?
N3 C14 1.419(6) . ?
N3 H3 0.8600 . ?
N4 C20 1.354(6) . ?
N4 C24 1.357(7) . ?
C2 C3 1.379(7) . ?
C2 C7 1.389(7) . ?
C3 C4 1.384(8) . ?
C3 H3A 0.9300 . ?
C4 C5 1.342(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.374(10) . ?
C5 H5 0.9300 . ?
C6 C7 1.398(8) . ?
C6 H6 0.9300 . ?
C7' H7'1 0.9600 . ?
C7' H7'2 0.9600 . ?
C7' H7'3 0.9600 . ?
C8 C13 1.379(8) . ?
C8 C9 1.383(8) . ?
C9 C10 1.398(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.362(11) . ?
C10 H10 0.9300 . ?
C11 C12 1.363(11) . ?
C11 H11 0.9300 . ?
C12 C13 1.388(8) . ?
C12 H12 0.9300 . ?
C13' H13A 0.9600 . ?
C13' H13B 0.9600 . ?
C13' H13C 0.9600 . ?
C14 C15 1.383(7) . ?
C14 C19 1.405(7) . ?
C15 C16 1.408(7) . ?
C16 C17 1.380(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.377(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.378(8) . ?
C18 H18 0.9300 . ?
C19' H19A 0.9600 . ?
C19' H19B 0.9600 . ?
C19' H19C 0.9600 . ?
C20 C21 1.365(8) . ?
C20 H20 0.9300 . ?
C21 C22 1.368(10) . ?
C21 H21 0.9300 . ?
C22 C23 1.383(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.374(8) . ?
C23 H23 0.9300 . ?
C24 C25 1.521(8) . ?
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
C2 N1 C1 N2 13.5(7) . . . . ?
Pt01 N1 C1 N2 -155.2(4) . . . . ?
C2 N1 C1 N3 -165.6(5) . . . . ?
Pt01 N1 C1 N3 25.6(6) . . . . ?
C8 N2 C1 N1 -170.3(5) . . . . ?
C8 N2 C1 N3 8.9(8) . . . . ?
C14 N3 C1 N1 20.5(8) . . . . ?
C14 N3 C1 N2 -158.7(5) . . . . ?
C1 N1 C2 C3 110.1(5) . . . . ?
Pt01 N1 C2 C3 -80.7(5) . . . . ?
C1 N1 C2 C7 -70.6(7) . . . . ?
Pt01 N1 C2 C7 98.6(5) . . . . ?
C7 C2 C3 C4 1.6(8) . . . . ?
N1 C2 C3 C4 -179.1(5) . . . . ?
C2 C3 C4 C5 -1.5(10) . . . . ?
C3 C4 C5 C6 1.3(11) . . . . ?
C4 C5 C6 C7 -1.2(11) . . . . ?
C7' O1 C7 C2 169.6(5) . . . . ?
C7' O1 C7 C6 -8.7(8) . . . . ?
C3 C2 C7 O1 -179.8(5) . . . . ?
N1 C2 C7 O1 1.0(7) . . . . ?
C3 C2 C7 C6 -1.4(8) . . . . ?
N1 C2 C7 C6 179.3(5) . . . . ?
C5 C6 C7 O1 179.4(6) . . . . ?
C5 C6 C7 C2 1.2(9) . . . . ?
C1 N2 C8 C13 -126.4(6) . . . . ?
C1 N2 C8 C9 56.5(8) . . . . ?
C13 C8 C9 C10 1.2(9) . . . . ?
N2 C8 C9 C10 178.1(5) . . . . ?
C8 C9 C10 C11 -0.5(11) . . . . ?
C9 C10 C11 C12 -1.0(12) . . . . ?
C10 C11 C12 C13 1.7(11) . . . . ?
C13' O2 C13 C8 163.1(6) . . . . ?
C13' O2 C13 C12 -19.1(9) . . . . ?
C9 C8 C13 O2 177.5(5) . . . . ?
N2 C8 C13 O2 0.4(7) . . . . ?
C9 C8 C13 C12 -0.5(8) . . . . ?
N2 C8 C13 C12 -177.6(5) . . . . ?
C11 C12 C13 O2 -178.7(6) . . . . ?
C11 C12 C13 C8 -1.0(9) . . . . ?
C1 N3 C14 C15 -35.6(8) . . . . ?
C1 N3 C14 C19 143.7(5) . . . . ?
C19 C14 C15 C16 -2.3(8) . . . . ?
N3 C14 C15 C16 176.9(5) . . . . ?
C19 C14 C15 Pt01 -177.6(4) . . . . ?
N3 C14 C15 Pt01 1.6(7) . . . . ?
C14 C15 C16 C17 3.1(8) . . . . ?
Pt01 C15 C16 C17 178.4(4) . . . . ?
C15 C16 C17 C18 -1.4(9) . . . . ?
C16 C17 C18 C19 -1.3(10) . . . . ?
C19' O3 C19 C18 16.5(11) . . . . ?
C19' O3 C19 C14 -164.4(8) . . . . ?
C17 C18 C19 O3 -178.9(6) . . . . ?
C17 C18 C19 C14 2.1(9) . . . . ?
C15 C14 C19 O3 -179.3(5) . . . . ?
N3 C14 C19 O3 1.4(7) . . . . ?
C15 C14 C19 C18 -0.2(9) . . . . ?
N3 C14 C19 C18 -179.5(5) . . . . ?
C24 N4 C20 C21 2.2(8) . . . . ?
Pt01 N4 C20 C21 175.3(4) . . . . ?
N4 C20 C21 C22 0.9(9) . . . . ?
C20 C21 C22 C23 -1.6(10) . . . . ?
C21 C22 C23 C24 -0.7(10) . . . . ?
C20 N4 C24 C23 -4.6(8) . . . . ?
Pt01 N4 C24 C23 -178.6(5) . . . . ?
C20 N4 C24 C25 172.5(5) . . . . ?
Pt01 N4 C24 C25 -1.5(6) . . . . ?
C22 C23 C24 N4 3.9(9) . . . . ?
C22 C23 C24 C25 -173.0(6) . . . . ?
Pt01 O4 C25 O5 -171.9(5) . . . . ?
Pt01 O4 C25 C24 11.3(6) . . . . ?
N4 C24 C25 O5 176.0(5) . . . . ?
C23 C24 C25 O5 -6.9(9) . . . . ?
N4 C24 C25 O4 -6.9(7) . . . . ?
C23 C24 C25 O4 170.2(5) . . . . ?
