# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_R_PtBINOLbpy
_database_code_depnum_ccdc_archive 'CCDC 2213938'
loop_
_audit_author_name
_audit_author_address
'Takuya Shiga'
;University of Tsukuba
Japan
;
_audit_update_record             
;
2023-02-07 deposited with the CCDC.	2023-03-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H20 N2 O2 Pt'
_chemical_formula_sum            'C30 H20 N2 O2 Pt'
_chemical_formula_weight         635.57

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   14.9659(16)
_cell_length_b                   17.1787(18)
_cell_length_c                   18.703(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4808.3(9)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9244
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      27.46

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_F_000             2464
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    5.867
_shelx_estimated_absorpt_T_min   0.473
_shelx_estimated_absorpt_T_max   0.592
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.3382
_exptl_absorpt_correction_T_max  0.4662
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.366
_diffrn_reflns_number            46240
_diffrn_reflns_av_unetI/netI     0.0246
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.610
_diffrn_reflns_theta_max         25.498
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8954
_reflns_number_gt                8602
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.807
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+19.8030P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 3716 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.018(3)
_chemical_absolute_configuration syn
_refine_ls_number_reflns         8954
_refine_ls_number_parameters     631
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0283
_refine_ls_wR_factor_ref         0.0617
_refine_ls_wR_factor_gt          0.0595
_refine_ls_goodness_of_fit_ref   1.305
_refine_ls_restrained_S_all      1.303
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Pt1 Pt 0.76042(2) -0.23786(2) -0.10688(2) 0.01878(8) Uani 1 1 d . . . . .
Pt2 Pt 0.15658(2) 0.03147(2) -0.05385(2) 0.02011(9) Uani 1 1 d . . . . .
N1 N 0.7832(5) -0.3434(5) -0.1465(4) 0.0254(19) Uani 1 1 d . . . . .
N2 N 0.7420(5) -0.2141(5) -0.2092(4) 0.0270(14) Uani 1 1 d . U . . .
O1 O 0.7354(4) -0.1267(4) -0.0807(3) 0.0227(14) Uani 1 1 d . . . . .
O2 O 0.7816(4) -0.2699(4) -0.0049(3) 0.0218(13) Uani 1 1 d . . . . .
N3 N 0.1065(5) -0.0718(5) -0.0791(4) 0.0218(17) Uani 1 1 d . . . . .
N4 N 0.0278(5) 0.0615(4) -0.0628(4) 0.0220(17) Uani 1 1 d . . . . .
O3 O 0.1949(4) 0.1416(4) -0.0365(4) 0.0279(16) Uani 1 1 d . . . . .
O4 O 0.2808(4) -0.0105(3) -0.0400(3) 0.0238(14) Uani 1 1 d . . . . .
C1 C 0.7983(6) -0.4076(5) -0.1078(5) 0.0229(19) Uani 1 1 d . . . . .
H1 H 0.803073 -0.403471 -0.057274 0.028 Uiso 1 1 calc R U . . .
C2 C 0.8073(6) -0.4807(6) -0.1402(5) 0.028(2) Uani 1 1 d . . . . .
H2 H 0.817358 -0.525802 -0.112004 0.033 Uiso 1 1 calc R U . . .
C3 C 0.8014(7) -0.4864(7) -0.2139(6) 0.037(3) Uani 1 1 d . . . . .
H3 H 0.807641 -0.535387 -0.236990 0.044 Uiso 1 1 calc R U . . .
C4 C 0.7862(7) -0.4196(7) -0.2535(5) 0.035(3) Uani 1 1 d . . . . .
H4 H 0.782998 -0.422623 -0.304114 0.042 Uiso 1 1 calc R U . . .
C5 C 0.7756(6) -0.3489(6) -0.2199(5) 0.025(2) Uani 1 1 d . . . . .
C6 C 0.7543(6) -0.2747(6) -0.2553(4) 0.0298(15) Uani 1 1 d . U . . .
C7 C 0.7470(6) -0.2649(7) -0.3284(4) 0.0358(16) Uani 1 1 d . U . . .
H5 H 0.756065 -0.307644 -0.359865 0.043 Uiso 1 1 calc R U . . .
C8 C 0.7261(7) -0.1913(7) -0.3554(5) 0.0404(18) Uani 1 1 d . U . . .
H6 H 0.719940 -0.183654 -0.405491 0.048 Uiso 1 1 calc R U . . .
C9 C 0.7147(7) -0.1303(8) -0.3091(5) 0.0375(18) Uani 1 1 d . U . . .
H7 H 0.701491 -0.079675 -0.326630 0.045 Uiso 1 1 calc R U . . .
C10 C 0.7227(6) -0.1436(7) -0.2361(5) 0.0331(17) Uani 1 1 d . U . . .
H8 H 0.714301 -0.101272 -0.204115 0.040 Uiso 1 1 calc R U . . .
C11 C 0.6959(6) -0.1112(5) -0.0182(5) 0.021(2) Uani 1 1 d . . . . .
C12 C 0.6059(6) -0.0815(6) -0.0201(5) 0.023(2) Uani 1 1 d . . . . .
H9 H 0.577222 -0.073190 -0.064743 0.028 Uiso 1 1 calc R U . . .
C13 C 0.5620(7) -0.0654(6) 0.0412(6) 0.032(2) Uani 1 1 d . . . . .
H10 H 0.502340 -0.046812 0.038731 0.038 Uiso 1 1 calc R U . . .
C14 C 0.6017(6) -0.0752(6) 0.1080(6) 0.027(2) Uani 1 1 d . . . . .
C15 C 0.5553(8) -0.0621(8) 0.1723(6) 0.047(3) Uani 1 1 d . . . . .
H11 H 0.495614 -0.043364 0.169971 0.056 Uiso 1 1 calc R U . . .
C16 C 0.5930(8) -0.0754(9) 0.2388(7) 0.056(4) Uani 1 1 d . . . . .
H12 H 0.559585 -0.067454 0.281396 0.068 Uiso 1 1 calc R U . . .
C17 C 0.6829(7) -0.1014(7) 0.2414(6) 0.039(3) Uani 1 1 d . . . . .
H13 H 0.710415 -0.109751 0.286543 0.047 Uiso 1 1 calc R U . . .
C18 C 0.7308(7) -0.1146(6) 0.1802(5) 0.027(2) Uani 1 1 d . . . . .
H14 H 0.790693 -0.132569 0.183597 0.033 Uiso 1 1 calc R U . . .
C19 C 0.6925(6) -0.1019(5) 0.1117(5) 0.0217(19) Uani 1 1 d . . . . .
C20 C 0.7387(6) -0.1195(5) 0.0468(5) 0.0192(17) Uani 1 1 d . . . . .
C21 C 0.8315(6) -0.1526(5) 0.0501(4) 0.0166(17) Uani 1 1 d . . . . .
C22 C 0.9057(6) -0.1068(5) 0.0743(4) 0.0190(19) Uani 1 1 d . . . . .
C23 C 0.8977(6) -0.0274(6) 0.0919(4) 0.023(2) Uani 1 1 d . . . . .
H15 H 0.840474 -0.003519 0.089748 0.028 Uiso 1 1 calc R U . . .
C24 C 0.9701(6) 0.0167(6) 0.1121(5) 0.028(2) Uani 1 1 d . . . . .
H16 H 0.962802 0.070456 0.122246 0.034 Uiso 1 1 calc R U . . .
C25 C 1.0555(6) -0.0180(7) 0.1176(5) 0.035(3) Uani 1 1 d . . . . .
H17 H 1.105859 0.012259 0.131099 0.042 Uiso 1 1 calc R U . . .
C26 C 1.0646(6) -0.0957(7) 0.1034(6) 0.033(2) Uani 1 1 d . . . . .
H18 H 1.121746 -0.119153 0.108622 0.039 Uiso 1 1 calc R U . . .
C27 C 0.9915(6) -0.1424(6) 0.0812(5) 0.027(2) Uani 1 1 d . . . . .
C28 C 1.0004(6) -0.2222(6) 0.0651(5) 0.029(2) Uani 1 1 d . . . . .
H19 H 1.055922 -0.247362 0.073360 0.035 Uiso 1 1 calc R U . . .
C29 C 0.9308(6) -0.2638(6) 0.0380(4) 0.024(2) Uani 1 1 d . . . . .
H20 H 0.938539 -0.317244 0.026519 0.029 Uiso 1 1 calc R U . . .
C30 C 0.8463(6) -0.2274(5) 0.0269(4) 0.0200(18) Uani 1 1 d . . . . .
C31 C 0.1528(7) -0.1376(5) -0.0852(4) 0.0230(19) Uani 1 1 d . . . . .
H21 H 0.215180 -0.136859 -0.075790 0.028 Uiso 1 1 calc R U . . .
C32 C 0.1131(6) -0.2072(6) -0.1046(6) 0.031(2) Uani 1 1 d . . . . .
H22 H 0.147516 -0.253424 -0.108507 0.037 Uiso 1 1 calc R U . . .
C33 C 0.0218(7) -0.2081(6) -0.1185(5) 0.028(2) Uani 1 1 d . . . . .
H23 H -0.006484 -0.254903 -0.133363 0.034 Uiso 1 1 calc R U . . .
C34 C -0.0269(6) -0.1415(6) -0.1105(5) 0.025(2) Uani 1 1 d . . . . .
H24 H -0.089561 -0.141701 -0.118738 0.030 Uiso 1 1 calc R U . . .
C35 C 0.0164(6) -0.0727(6) -0.0899(5) 0.024(2) Uani 1 1 d . . . . .
C36 C -0.0282(6) 0.0017(5) -0.0781(5) 0.022(2) Uani 1 1 d . . . . .
C37 C -0.1204(6) 0.0124(6) -0.0793(5) 0.026(2) Uani 1 1 d . . . . .
H25 H -0.159015 -0.029798 -0.090302 0.031 Uiso 1 1 calc R U . . .
C38 C -0.1552(7) 0.0850(6) -0.0643(5) 0.027(2) Uani 1 1 d . . . . .
H26 H -0.217903 0.093312 -0.064109 0.032 Uiso 1 1 calc R U . . .
C39 C -0.0963(6) 0.1459(6) -0.0494(6) 0.028(2) Uani 1 1 d . . . . .
H27 H -0.118769 0.196495 -0.039345 0.034 Uiso 1 1 calc R U . . .
C40 C -0.0055(6) 0.1324(5) -0.0494(6) 0.025(2) Uani 1 1 d . . . . .
H28 H 0.034225 0.174178 -0.039734 0.030 Uiso 1 1 calc R U . . .
C41 C 0.2584(7) 0.1531(5) 0.0146(5) 0.029(2) Uani 1 1 d . . . . .
C42 C 0.2335(8) 0.1889(5) 0.0796(6) 0.035(3) Uani 1 1 d . . . . .
H29 H 0.173041 0.204485 0.085434 0.042 Uiso 1 1 calc R U . . .
C43 C 0.2909(8) 0.2020(7) 0.1336(6) 0.041(3) Uani 1 1 d . . . . .
H30 H 0.270870 0.226263 0.176307 0.049 Uiso 1 1 calc R U . . .
C44 C 0.3814(7) 0.1795(6) 0.1262(5) 0.033(3) Uani 1 1 d . . . . .
C45 C 0.4441(9) 0.1894(7) 0.1827(6) 0.044(3) Uani 1 1 d . . . . .
H31 H 0.425180 0.212515 0.226284 0.052 Uiso 1 1 calc R U . . .
C46 C 0.5311(10) 0.1663(8) 0.1753(7) 0.053(3) Uani 1 1 d . . . . .
H32 H 0.571766 0.171836 0.213961 0.063 Uiso 1 1 calc R U . . .
C47 C 0.5594(8) 0.1347(7) 0.1108(7) 0.045(3) Uani 1 1 d . . . . .
H33 H 0.619814 0.118430 0.106075 0.054 Uiso 1 1 calc R U . . .
C48 C 0.5025(7) 0.1263(6) 0.0536(6) 0.032(2) Uani 1 1 d . . . . .
H34 H 0.524461 0.106029 0.009691 0.039 Uiso 1 1 calc R U . . .
C49 C 0.4105(7) 0.1480(6) 0.0596(6) 0.027(2) Uani 1 1 d . . . . .
C50 C 0.3491(7) 0.1365(5) 0.0025(5) 0.024(2) Uani 1 1 d . . . . .
C51 C 0.3771(6) 0.0970(5) -0.0657(5) 0.021(2) Uani 1 1 d . . . . .
C52 C 0.4380(6) 0.1332(6) -0.1144(5) 0.022(2) Uani 1 1 d . . . . .
C53 C 0.4671(5) 0.2114(5) -0.1073(5) 0.0223(19) Uani 1 1 d . . . . .
H35 H 0.449320 0.240717 -0.066640 0.027 Uiso 1 1 calc R U . . .
C54 C 0.5207(6) 0.2455(6) -0.1581(5) 0.032(2) Uani 1 1 d . . . . .
H36 H 0.536365 0.298892 -0.153706 0.039 Uiso 1 1 calc R U . . .
C55 C 0.5523(7) 0.2022(7) -0.2163(6) 0.034(2) Uani 1 1 d . . . . .
H37 H 0.590532 0.225939 -0.250483 0.041 Uiso 1 1 calc R U . . .
C56 C 0.5280(7) 0.1249(7) -0.2242(5) 0.033(2) Uani 1 1 d . . . . .
H38 H 0.550422 0.095473 -0.263323 0.039 Uiso 1 1 calc R U . . .
C57 C 0.4700(6) 0.0897(6) -0.1743(5) 0.025(2) Uani 1 1 d . . . . .
C58 C 0.4417(7) 0.0111(6) -0.1842(5) 0.031(2) Uani 1 1 d . . . . .
H39 H 0.465125 -0.019196 -0.222310 0.037 Uiso 1 1 calc R U . . .
C59 C 0.3801(6) -0.0202(6) -0.1379(5) 0.024(2) Uani 1 1 d . . . . .
H40 H 0.360368 -0.072167 -0.145238 0.029 Uiso 1 1 calc R U . . .
C60 C 0.3453(6) 0.0227(5) -0.0797(4) 0.0185(18) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 1.976(7) . ?
Pt1 N1 1.988(8) . ?
Pt1 O1 2.006(6) . ?
Pt1 O2 2.010(6) . ?
Pt2 N3 1.982(8) . ?
Pt2 N4 2.002(8) . ?
Pt2 O3 2.003(7) . ?
Pt2 O4 2.011(6) . ?
N1 C1 1.338(12) . ?
N1 C5 1.380(12) . ?
N2 C10 1.343(13) . ?
N2 C6 1.364(12) . ?
O1 C11 1.338(11) . ?
O2 C30 1.350(11) . ?
N3 C31 1.331(12) . ?
N3 C35 1.364(12) . ?
N4 C40 1.339(12) . ?
N4 C36 1.357(12) . ?
O3 C41 1.363(12) . ?
O4 C60 1.344(11) . ?
C1 C2 1.401(13) . ?
C1 H1 0.9500 . ?
C2 C3 1.385(14) . ?
C2 H2 0.9500 . ?
C3 C4 1.383(16) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(14) . ?
C4 H4 0.9500 . ?
C5 C6 1.470(14) . ?
C6 C7 1.383(12) . ?
C7 C8 1.397(16) . ?
C7 H5 0.9500 . ?
C8 C9 1.371(16) . ?
C8 H6 0.9500 . ?
C9 C10 1.389(13) . ?
C9 H7 0.9500 . ?
C10 H8 0.9500 . ?
C11 C20 1.381(13) . ?
C11 C12 1.440(13) . ?
C12 C13 1.349(14) . ?
C12 H9 0.9500 . ?
C13 C14 1.393(15) . ?
C13 H10 0.9500 . ?
C14 C15 1.406(15) . ?
C14 C19 1.436(12) . ?
C15 C16 1.385(17) . ?
C15 H11 0.9500 . ?
C16 C17 1.418(16) . ?
C16 H12 0.9500 . ?
C17 C18 1.371(14) . ?
C17 H13 0.9500 . ?
C18 C19 1.420(14) . ?
C18 H14 0.9500 . ?
C19 C20 1.430(13) . ?
C20 C21 1.502(12) . ?
C21 C30 1.375(12) . ?
C21 C22 1.434(12) . ?
C22 C23 1.408(14) . ?
C22 C27 1.429(13) . ?
C23 C24 1.375(13) . ?
C23 H15 0.9500 . ?
C24 C25 1.413(14) . ?
C24 H16 0.9500 . ?
C25 C26 1.368(16) . ?
C25 H17 0.9500 . ?
C26 C27 1.419(14) . ?
C26 H18 0.9500 . ?
C27 C28 1.409(15) . ?
C28 C29 1.361(14) . ?
C28 H19 0.9500 . ?
C29 C30 1.426(12) . ?
C29 H20 0.9500 . ?
C31 C32 1.383(13) . ?
C31 H21 0.9500 . ?
C32 C33 1.390(13) . ?
C32 H22 0.9500 . ?
C33 C34 1.366(14) . ?
C33 H23 0.9500 . ?
C34 C35 1.401(13) . ?
C34 H24 0.9500 . ?
C35 C36 1.459(13) . ?
C36 C37 1.392(13) . ?
C37 C38 1.379(14) . ?
C37 H25 0.9500 . ?
C38 C39 1.396(14) . ?
C38 H26 0.9500 . ?
C39 C40 1.379(13) . ?
C39 H27 0.9500 . ?
C40 H28 0.9500 . ?
C41 C50 1.406(14) . ?
C41 C42 1.411(13) . ?
C42 C43 1.345(16) . ?
C42 H29 0.9500 . ?
C43 C44 1.416(16) . ?
C43 H30 0.9500 . ?
C44 C45 1.424(15) . ?
C44 C49 1.425(15) . ?
C45 C46 1.368(18) . ?
C45 H31 0.9500 . ?
C46 C47 1.390(18) . ?
C46 H32 0.9500 . ?
C47 C48 1.375(15) . ?
C47 H33 0.9500 . ?
C48 C49 1.431(14) . ?
C48 H34 0.9500 . ?
C49 C50 1.423(14) . ?
C50 C51 1.504(13) . ?
C51 C60 1.388(13) . ?
C51 C52 1.431(12) . ?
C52 C53 1.418(13) . ?
C52 C57 1.428(13) . ?
C53 C54 1.374(13) . ?
C53 H35 0.9500 . ?
C54 C55 1.401(15) . ?
C54 H36 0.9500 . ?
C55 C56 1.385(15) . ?
C55 H37 0.9500 . ?
C56 C57 1.411(14) . ?
C56 H38 0.9500 . ?
C57 C58 1.428(15) . ?
C58 C59 1.374(13) . ?
C58 H39 0.9500 . ?
C59 C60 1.415(12) . ?
C59 H40 0.9500 . ?

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 N1 81.4(3) . . ?
N2 Pt1 O1 90.8(3) . . ?
N1 Pt1 O1 172.2(3) . . ?
N2 Pt1 O2 175.9(3) . . ?
N1 Pt1 O2 94.4(3) . . ?
O1 Pt1 O2 93.3(2) . . ?
N3 Pt2 N4 81.2(3) . . ?
N3 Pt2 O3 172.6(3) . . ?
N4 Pt2 O3 92.6(3) . . ?
N3 Pt2 O4 93.4(3) . . ?
N4 Pt2 O4 173.3(3) . . ?
O3 Pt2 O4 93.0(2) . . ?
C1 N1 C5 119.8(9) . . ?
C1 N1 Pt1 125.3(7) . . ?
C5 N1 Pt1 114.7(7) . . ?
C10 N2 C6 118.7(8) . . ?
C10 N2 Pt1 125.4(7) . . ?
C6 N2 Pt1 115.8(6) . . ?
C11 O1 Pt1 119.1(5) . . ?
C30 O2 Pt1 112.5(5) . . ?
C31 N3 C35 119.5(9) . . ?
C31 N3 Pt2 125.8(7) . . ?
C35 N3 Pt2 114.8(7) . . ?
C40 N4 C36 119.8(8) . . ?
C40 N4 Pt2 125.3(6) . . ?
C36 N4 Pt2 114.7(6) . . ?
C41 O3 Pt2 116.8(5) . . ?
C60 O4 Pt2 116.1(5) . . ?
N1 C1 C2 121.3(9) . . ?
N1 C1 H1 119.3 . . ?
C2 C1 H1 119.3 . . ?
C3 C2 C1 119.3(10) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C4 C3 C2 118.9(10) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C5 C4 C3 120.5(9) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 N1 120.2(9) . . ?
C4 C5 C6 125.8(9) . . ?
N1 C5 C6 114.0(8) . . ?
N2 C6 C7 121.4(10) . . ?
N2 C6 C5 114.0(7) . . ?
C7 C6 C5 124.6(10) . . ?
C6 C7 C8 119.0(10) . . ?
C6 C7 H5 120.5 . . ?
C8 C7 H5 120.5 . . ?
C9 C8 C7 119.4(9) . . ?
C9 C8 H6 120.3 . . ?
C7 C8 H6 120.3 . . ?
C8 C9 C10 119.0(11) . . ?
C8 C9 H7 120.5 . . ?
C10 C9 H7 120.5 . . ?
N2 C10 C9 122.4(11) . . ?
N2 C10 H8 118.8 . . ?
C9 C10 H8 118.8 . . ?
O1 C11 C20 122.9(8) . . ?
O1 C11 C12 117.6(8) . . ?
C20 C11 C12 119.5(9) . . ?
C13 C12 C11 120.4(9) . . ?
C13 C12 H9 119.8 . . ?
C11 C12 H9 119.8 . . ?
C12 C13 C14 122.0(9) . . ?
C12 C13 H10 119.0 . . ?
C14 C13 H10 119.0 . . ?
C13 C14 C15 122.5(9) . . ?
C13 C14 C19 119.0(10) . . ?
C15 C14 C19 118.5(10) . . ?
C16 C15 C14 122.7(10) . . ?
C16 C15 H11 118.7 . . ?
C14 C15 H11 118.7 . . ?
C15 C16 C17 118.0(10) . . ?
C15 C16 H12 121.0 . . ?
C17 C16 H12 121.0 . . ?
C18 C17 C16 121.3(10) . . ?
C18 C17 H13 119.3 . . ?
C16 C17 H13 119.3 . . ?
C17 C18 C19 121.1(9) . . ?
C17 C18 H14 119.4 . . ?
C19 C18 H14 119.4 . . ?
C18 C19 C20 122.6(8) . . ?
C18 C19 C14 118.4(9) . . ?
C20 C19 C14 118.9(9) . . ?
C11 C20 C19 120.1(8) . . ?
C11 C20 C21 120.3(8) . . ?
C19 C20 C21 119.5(8) . . ?
C30 C21 C22 119.2(8) . . ?
C30 C21 C20 119.3(8) . . ?
C22 C21 C20 121.5(7) . . ?
C23 C22 C27 118.1(8) . . ?
C23 C22 C21 122.6(8) . . ?
C27 C22 C21 119.3(9) . . ?
C24 C23 C22 122.0(9) . . ?
C24 C23 H15 119.0 . . ?
C22 C23 H15 119.0 . . ?
C23 C24 C25 120.1(9) . . ?
C23 C24 H16 120.0 . . ?
C25 C24 H16 120.0 . . ?
C26 C25 C24 119.2(9) . . ?
C26 C25 H17 120.4 . . ?
C24 C25 H17 120.4 . . ?
C25 C26 C27 122.1(9) . . ?
C25 C26 H18 118.9 . . ?
C27 C26 H18 118.9 . . ?
C28 C27 C26 122.7(9) . . ?
C28 C27 C22 118.8(9) . . ?
C26 C27 C22 118.5(9) . . ?
C29 C28 C27 121.3(9) . . ?
C29 C28 H19 119.4 . . ?
C27 C28 H19 119.4 . . ?
C28 C29 C30 120.2(9) . . ?
C28 C29 H20 119.9 . . ?
C30 C29 H20 119.9 . . ?
O2 C30 C21 122.0(8) . . ?
O2 C30 C29 117.6(8) . . ?
C21 C30 C29 120.4(8) . . ?
N3 C31 C32 122.2(9) . . ?
N3 C31 H21 118.9 . . ?
C32 C31 H21 118.9 . . ?
C31 C32 C33 118.8(9) . . ?
C31 C32 H22 120.6 . . ?
C33 C32 H22 120.6 . . ?
C34 C33 C32 119.6(9) . . ?
C34 C33 H23 120.2 . . ?
C32 C33 H23 120.2 . . ?
C33 C34 C35 119.3(9) . . ?
C33 C34 H24 120.4 . . ?
C35 C34 H24 120.4 . . ?
N3 C35 C34 120.6(9) . . ?
N3 C35 C36 114.9(8) . . ?
C34 C35 C36 124.6(8) . . ?
N4 C36 C37 121.0(9) . . ?
N4 C36 C35 114.3(8) . . ?
C37 C36 C35 124.6(9) . . ?
C38 C37 C36 119.3(9) . . ?
C38 C37 H25 120.3 . . ?
C36 C37 H25 120.3 . . ?
C37 C38 C39 118.7(9) . . ?
C37 C38 H26 120.6 . . ?
C39 C38 H26 120.6 . . ?
C40 C39 C38 119.6(9) . . ?
C40 C39 H27 120.2 . . ?
C38 C39 H27 120.2 . . ?
N4 C40 C39 121.4(9) . . ?
N4 C40 H28 119.3 . . ?
C39 C40 H28 119.3 . . ?
O3 C41 C50 122.0(8) . . ?
O3 C41 C42 118.9(9) . . ?
C50 C41 C42 118.9(10) . . ?
C43 C42 C41 123.4(11) . . ?
C43 C42 H29 118.3 . . ?
C41 C42 H29 118.3 . . ?
C42 C43 C44 119.5(10) . . ?
C42 C43 H30 120.3 . . ?
C44 C43 H30 120.3 . . ?
C43 C44 C45 121.7(11) . . ?
C43 C44 C49 118.8(10) . . ?
C45 C44 C49 119.5(10) . . ?
C46 C45 C44 121.2(11) . . ?
C46 C45 H31 119.4 . . ?
C44 C45 H31 119.4 . . ?
C45 C46 C47 119.4(11) . . ?
C45 C46 H32 120.3 . . ?
C47 C46 H32 120.3 . . ?
C48 C47 C46 121.8(12) . . ?
C48 C47 H33 119.1 . . ?
C46 C47 H33 119.1 . . ?
C47 C48 C49 120.5(11) . . ?
C47 C48 H34 119.8 . . ?
C49 C48 H34 119.8 . . ?
C50 C49 C44 120.7(9) . . ?
C50 C49 C48 121.7(10) . . ?
C44 C49 C48 117.5(10) . . ?
C41 C50 C49 118.3(9) . . ?
C41 C50 C51 119.8(9) . . ?
C49 C50 C51 121.3(9) . . ?
C60 C51 C52 119.9(8) . . ?
C60 C51 C50 118.6(8) . . ?
C52 C51 C50 121.4(8) . . ?
C53 C52 C57 117.8(8) . . ?
C53 C52 C51 123.2(8) . . ?
C57 C52 C51 119.0(9) . . ?
C54 C53 C52 121.2(9) . . ?
C54 C53 H35 119.4 . . ?
C52 C53 H35 119.4 . . ?
C53 C54 C55 120.5(10) . . ?
C53 C54 H36 119.7 . . ?
C55 C54 H36 119.7 . . ?
C56 C55 C54 120.3(10) . . ?
C56 C55 H37 119.9 . . ?
C54 C55 H37 119.9 . . ?
C55 C56 C57 120.1(9) . . ?
C55 C56 H38 120.0 . . ?
C57 C56 H38 120.0 . . ?
C56 C57 C58 120.1(9) . . ?
C56 C57 C52 120.1(9) . . ?
C58 C57 C52 119.8(9) . . ?
C59 C58 C57 119.2(9) . . ?
C59 C58 H39 120.4 . . ?
C57 C58 H39 120.4 . . ?
C58 C59 C60 121.9(9) . . ?
C58 C59 H40 119.1 . . ?
C60 C59 H40 119.1 . . ?
O4 C60 C51 122.2(7) . . ?
O4 C60 C59 117.9(8) . . ?
C51 C60 C59 119.9(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
C5 N1 C1 C2 0.4(13) . . . . ?
Pt1 N1 C1 C2 175.3(6) . . . . ?
N1 C1 C2 C3 0.7(13) . . . . ?
C1 C2 C3 C4 -0.4(14) . . . . ?
C2 C3 C4 C5 -1.1(15) . . . . ?
C3 C4 C5 N1 2.3(14) . . . . ?
C3 C4 C5 C6 -176.4(9) . . . . ?
C1 N1 C5 C4 -1.9(13) . . . . ?
Pt1 N1 C5 C4 -177.3(7) . . . . ?
C1 N1 C5 C6 176.9(8) . . . . ?
Pt1 N1 C5 C6 1.5(10) . . . . ?
C10 N2 C6 C7 -0.3(14) . . . . ?
Pt1 N2 C6 C7 -177.3(7) . . . . ?
C10 N2 C6 C5 179.6(8) . . . . ?
Pt1 N2 C6 C5 2.6(10) . . . . ?
C4 C5 C6 N2 176.1(9) . . . . ?
N1 C5 C6 N2 -2.6(12) . . . . ?
C4 C5 C6 C7 -4.0(15) . . . . ?
N1 C5 C6 C7 177.2(9) . . . . ?
N2 C6 C7 C8 -0.3(15) . . . . ?
C5 C6 C7 C8 179.8(9) . . . . ?
C6 C7 C8 C9 1.0(15) . . . . ?
C7 C8 C9 C10 -1.1(16) . . . . ?
C6 N2 C10 C9 0.2(14) . . . . ?
Pt1 N2 C10 C9 176.9(8) . . . . ?
C8 C9 C10 N2 0.5(16) . . . . ?
Pt1 O1 C11 C20 71.4(10) . . . . ?
Pt1 O1 C11 C12 -111.2(8) . . . . ?
O1 C11 C12 C13 179.3(9) . . . . ?
C20 C11 C12 C13 -3.2(14) . . . . ?
C11 C12 C13 C14 1.2(15) . . . . ?
C12 C13 C14 C15 -177.0(11) . . . . ?
C12 C13 C14 C19 1.2(15) . . . . ?
C13 C14 C15 C16 176.8(13) . . . . ?
C19 C14 C15 C16 -1.4(19) . . . . ?
C14 C15 C16 C17 2(2) . . . . ?
C15 C16 C17 C18 -1(2) . . . . ?
C16 C17 C18 C19 0.8(18) . . . . ?
C17 C18 C19 C20 -176.1(10) . . . . ?
C17 C18 C19 C14 -0.4(15) . . . . ?
C13 C14 C19 C18 -177.5(9) . . . . ?
C15 C14 C19 C18 0.7(14) . . . . ?
C13 C14 C19 C20 -1.7(14) . . . . ?
C15 C14 C19 C20 176.6(10) . . . . ?
O1 C11 C20 C19 180.0(8) . . . . ?
C12 C11 C20 C19 2.6(12) . . . . ?
O1 C11 C20 C21 -4.4(13) . . . . ?
C12 C11 C20 C21 178.2(8) . . . . ?
C18 C19 C20 C11 175.4(9) . . . . ?
C14 C19 C20 C11 -0.3(12) . . . . ?
C18 C19 C20 C21 -0.2(13) . . . . ?
C14 C19 C20 C21 -175.9(8) . . . . ?
C11 C20 C21 C30 -62.0(11) . . . . ?
C19 C20 C21 C30 113.6(9) . . . . ?
C11 C20 C21 C22 115.5(9) . . . . ?
C19 C20 C21 C22 -68.9(11) . . . . ?
C30 C21 C22 C23 173.3(8) . . . . ?
C20 C21 C22 C23 -4.2(13) . . . . ?
C30 C21 C22 C27 -6.7(12) . . . . ?
C20 C21 C22 C27 175.7(8) . . . . ?
C27 C22 C23 C24 2.9(13) . . . . ?
C21 C22 C23 C24 -177.1(8) . . . . ?
C22 C23 C24 C25 -1.8(14) . . . . ?
C23 C24 C25 C26 -0.6(15) . . . . ?
C24 C25 C26 C27 1.9(16) . . . . ?
C25 C26 C27 C28 178.8(10) . . . . ?
C25 C26 C27 C22 -0.7(15) . . . . ?
C23 C22 C27 C28 178.8(8) . . . . ?
C21 C22 C27 C28 -1.2(13) . . . . ?
C23 C22 C27 C26 -1.6(13) . . . . ?
C21 C22 C27 C26 178.4(9) . . . . ?
C26 C27 C28 C29 -174.2(9) . . . . ?
C22 C27 C28 C29 5.3(14) . . . . ?
C27 C28 C29 C30 -1.5(14) . . . . ?
Pt1 O2 C30 C21 76.4(8) . . . . ?
Pt1 O2 C30 C29 -105.6(7) . . . . ?
C22 C21 C30 O2 -171.4(7) . . . . ?
C20 C21 C30 O2 6.2(12) . . . . ?
C22 C21 C30 C29 10.7(12) . . . . ?
C20 C21 C30 C29 -171.7(8) . . . . ?
C28 C29 C30 O2 175.3(8) . . . . ?
C28 C29 C30 C21 -6.7(13) . . . . ?
C35 N3 C31 C32 2.3(13) . . . . ?
Pt2 N3 C31 C32 -178.5(7) . . . . ?
N3 C31 C32 C33 0.1(15) . . . . ?
C31 C32 C33 C34 -2.0(15) . . . . ?
C32 C33 C34 C35 1.4(15) . . . . ?
C31 N3 C35 C34 -2.9(13) . . . . ?
Pt2 N3 C35 C34 177.8(7) . . . . ?
C31 N3 C35 C36 176.8(8) . . . . ?
Pt2 N3 C35 C36 -2.6(10) . . . . ?
C33 C34 C35 N3 1.0(14) . . . . ?
C33 C34 C35 C36 -178.5(9) . . . . ?
C40 N4 C36 C37 -0.8(13) . . . . ?
Pt2 N4 C36 C37 174.0(7) . . . . ?
C40 N4 C36 C35 -178.7(8) . . . . ?
Pt2 N4 C36 C35 -3.9(10) . . . . ?
N3 C35 C36 N4 4.3(11) . . . . ?
C34 C35 C36 N4 -176.1(8) . . . . ?
N3 C35 C36 C37 -173.5(8) . . . . ?
C34 C35 C36 C37 6.1(15) . . . . ?
N4 C36 C37 C38 -0.4(13) . . . . ?
C35 C36 C37 C38 177.3(8) . . . . ?
C36 C37 C38 C39 1.0(13) . . . . ?
C37 C38 C39 C40 -0.5(15) . . . . ?
C36 N4 C40 C39 1.3(15) . . . . ?
Pt2 N4 C40 C39 -172.9(8) . . . . ?
C38 C39 C40 N4 -0.6(16) . . . . ?
Pt2 O3 C41 C50 76.2(10) . . . . ?
Pt2 O3 C41 C42 -109.2(8) . . . . ?
O3 C41 C42 C43 179.2(9) . . . . ?
C50 C41 C42 C43 -6.0(14) . . . . ?
C41 C42 C43 C44 0.1(16) . . . . ?
C42 C43 C44 C45 -177.6(10) . . . . ?
C42 C43 C44 C49 4.1(15) . . . . ?
C43 C44 C45 C46 179.0(11) . . . . ?
C49 C44 C45 C46 -2.8(17) . . . . ?
C44 C45 C46 C47 1.9(19) . . . . ?
C45 C46 C47 C48 0(2) . . . . ?
C46 C47 C48 C49 -2.0(18) . . . . ?
C43 C44 C49 C50 -2.5(15) . . . . ?
C45 C44 C49 C50 179.2(9) . . . . ?
C43 C44 C49 C48 179.5(9) . . . . ?
C45 C44 C49 C48 1.2(15) . . . . ?
C47 C48 C49 C50 -176.9(10) . . . . ?
C47 C48 C49 C44 1.1(15) . . . . ?
O3 C41 C50 C49 -178.0(8) . . . . ?
C42 C41 C50 C49 7.3(13) . . . . ?
O3 C41 C50 C51 -6.5(13) . . . . ?
C42 C41 C50 C51 178.8(8) . . . . ?
C44 C49 C50 C41 -3.3(14) . . . . ?
C48 C49 C50 C41 174.7(9) . . . . ?
C44 C49 C50 C51 -174.7(9) . . . . ?
C48 C49 C50 C51 3.3(14) . . . . ?
C41 C50 C51 C60 -62.4(12) . . . . ?
C49 C50 C51 C60 108.8(10) . . . . ?
C41 C50 C51 C52 120.0(10) . . . . ?
C49 C50 C51 C52 -68.8(12) . . . . ?
C60 C51 C52 C53 174.2(8) . . . . ?
C50 C51 C52 C53 -8.3(14) . . . . ?
C60 C51 C52 C57 -4.5(13) . . . . ?
C50 C51 C52 C57 173.0(8) . . . . ?
C57 C52 C53 C54 3.3(13) . . . . ?
C51 C52 C53 C54 -175.4(9) . . . . ?
C52 C53 C54 C55 -3.9(14) . . . . ?
C53 C54 C55 C56 1.6(15) . . . . ?
C54 C55 C56 C57 1.1(16) . . . . ?
C55 C56 C57 C58 177.1(10) . . . . ?
C55 C56 C57 C52 -1.5(15) . . . . ?
C53 C52 C57 C56 -0.6(13) . . . . ?
C51 C52 C57 C56 178.1(9) . . . . ?
C53 C52 C57 C58 -179.3(9) . . . . ?
C51 C52 C57 C58 -0.5(13) . . . . ?
C56 C57 C58 C59 -175.2(9) . . . . ?
C52 C57 C58 C59 3.4(14) . . . . ?
C57 C58 C59 C60 -1.4(14) . . . . ?
Pt2 O4 C60 C51 72.9(9) . . . . ?
Pt2 O4 C60 C59 -106.3(7) . . . . ?
C52 C51 C60 O4 -172.6(8) . . . . ?
C50 C51 C60 O4 9.8(13) . . . . ?
C52 C51 C60 C59 6.6(13) . . . . ?
C50 C51 C60 C59 -171.0(8) . . . . ?
C58 C59 C60 O4 175.5(8) . . . . ?
C58 C59 C60 C51 -3.7(13) . . . . ?

_refine_diff_density_max         1.066
_refine_diff_density_min         -1.093
_refine_diff_density_rms         0.130



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_S_PtBINOLbpy
_database_code_depnum_ccdc_archive 'CCDC 2213940'
loop_
_audit_author_name
_audit_author_address
'Takuya Shiga'
;University of Tsukuba
Japan
;
_audit_update_record             
;
2023-02-07 deposited with the CCDC.	2023-03-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H20 N2 O2 Pt'
_chemical_formula_sum            'C30 H20 N2 O2 Pt'
_chemical_formula_weight         635.57

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   14.959(2)
_cell_length_b                   17.171(3)
_cell_length_c                   18.707(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4805.1(13)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9986
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      27.39

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_F_000             2464
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    5.871
_shelx_estimated_absorpt_T_min   0.248
_shelx_estimated_absorpt_T_max   0.758
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.1430
_exptl_absorpt_correction_T_max  0.5800
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.366
_diffrn_reflns_number            46078
_diffrn_reflns_av_unetI/netI     0.0397
_diffrn_reflns_av_R_equivalents  0.0570
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.610
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8950
_reflns_number_gt                8236
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.807
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+21.9323P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 3462 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.016(4)
_chemical_absolute_configuration syn
_refine_ls_number_reflns         8950
_refine_ls_number_parameters     631
_refine_ls_number_restraints     306
_refine_ls_R_factor_all          0.0391
_refine_ls_R_factor_gt           0.0313
_refine_ls_wR_factor_ref         0.0665
_refine_ls_wR_factor_gt          0.0621
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_restrained_S_all      1.131
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Pt1 Pt 0.23957(2) 0.23784(2) 0.10695(2) 0.02000(9) Uani 1 1 d . . . . .
Pt2 Pt 0.84343(3) -0.03144(2) 0.05382(2) 0.02133(10) Uani 1 1 d . . . . .
N1 N 0.2171(5) 0.3429(5) 0.1472(4) 0.0245(15) Uani 1 1 d . U . . .
N2 N 0.2575(6) 0.2138(5) 0.2094(4) 0.0260(14) Uani 1 1 d . U . . .
O1 O 0.2648(5) 0.1267(4) 0.0805(3) 0.0240(15) Uani 1 1 d . . . . .
O2 O 0.2189(4) 0.2693(4) 0.0051(3) 0.0225(15) Uani 1 1 d . . . . .
N3 N 0.8935(6) 0.0717(5) 0.0788(4) 0.0212(19) Uani 1 1 d . . . . .
N4 N 0.9722(5) -0.0615(5) 0.0629(4) 0.0229(19) Uani 1 1 d . . . . .
O3 O 0.8046(5) -0.1416(4) 0.0360(4) 0.0291(18) Uani 1 1 d . . . . .
O4 O 0.7191(4) 0.0106(4) 0.0399(4) 0.0247(16) Uani 1 1 d . . . . .
C1 C 0.2017(6) 0.4082(6) 0.1082(6) 0.0248(15) Uani 1 1 d . U . . .
H1 H 0.197412 0.404408 0.057614 0.030 Uiso 1 1 calc R U . . .
C2 C 0.1922(6) 0.4806(6) 0.1408(6) 0.0283(17) Uani 1 1 d . U . . .
H2 H 0.181494 0.525805 0.112715 0.034 Uiso 1 1 calc R U . . .
C3 C 0.1984(7) 0.4862(7) 0.2138(6) 0.0333(17) Uani 1 1 d . U . . .
H3 H 0.191970 0.535234 0.236659 0.040 Uiso 1 1 calc R U . . .
C4 C 0.2141(7) 0.4200(7) 0.2538(6) 0.0331(17) Uani 1 1 d . U . . .
H4 H 0.217614 0.423239 0.304462 0.040 Uiso 1 1 calc R U . . .
C5 C 0.2246(7) 0.3486(6) 0.2198(5) 0.0283(15) Uani 1 1 d . U . . .
C6 C 0.2459(7) 0.2740(6) 0.2552(5) 0.0295(14) Uani 1 1 d . U . . .
C7 C 0.2531(7) 0.2643(7) 0.3284(5) 0.0359(17) Uani 1 1 d . U . . .
H5 H 0.244135 0.306979 0.359948 0.043 Uiso 1 1 calc R U . . .
C8 C 0.2736(8) 0.1912(7) 0.3546(6) 0.0411(19) Uani 1 1 d . U . . .
H6 H 0.279562 0.183528 0.404642 0.049 Uiso 1 1 calc R U . . .
C9 C 0.2853(7) 0.1299(8) 0.3093(6) 0.0383(19) Uani 1 1 d . U . . .
H7 H 0.298353 0.079426 0.327161 0.046 Uiso 1 1 calc R U . . .
C10 C 0.2776(7) 0.1433(7) 0.2359(6) 0.0328(17) Uani 1 1 d . U . . .
H8 H 0.286854 0.101163 0.203816 0.039 Uiso 1 1 calc R U . . .
C11 C 0.3042(7) 0.1108(6) 0.0182(5) 0.021(2) Uani 1 1 d . . . . .
C12 C 0.3943(7) 0.0815(6) 0.0203(6) 0.028(3) Uani 1 1 d . . . . .
H9 H 0.423145 0.073736 0.064944 0.033 Uiso 1 1 calc R U . . .
C13 C 0.4382(7) 0.0650(6) -0.0412(6) 0.032(3) Uani 1 1 d . . . . .
H10 H 0.497712 0.045958 -0.038982 0.038 Uiso 1 1 calc R U . . .
C14 C 0.3979(7) 0.0755(6) -0.1080(7) 0.030(2) Uani 1 1 d . . . . .
C15 C 0.4448(8) 0.0622(8) -0.1724(7) 0.046(3) Uani 1 1 d . . . . .
H11 H 0.504730 0.043953 -0.170339 0.056 Uiso 1 1 calc R U . . .
C16 C 0.4060(9) 0.0749(9) -0.2382(7) 0.058(4) Uani 1 1 d . . . . .
H12 H 0.438911 0.065999 -0.280839 0.070 Uiso 1 1 calc R U . . .
C17 C 0.3167(8) 0.1013(8) -0.2413(6) 0.040(3) Uani 1 1 d . . . . .
H13 H 0.289412 0.110258 -0.286341 0.048 Uiso 1 1 calc R U . . .
C18 C 0.2695(7) 0.1139(6) -0.1802(5) 0.028(2) Uani 1 1 d . . . . .
H14 H 0.209270 0.131133 -0.183491 0.034 Uiso 1 1 calc R U . . .
C19 C 0.3074(6) 0.1022(6) -0.1123(6) 0.023(2) Uani 1 1 d . . . . .
C20 C 0.2613(7) 0.1197(5) -0.0468(5) 0.021(2) Uani 1 1 d . . . . .
C21 C 0.1681(6) 0.1524(5) -0.0500(5) 0.0184(19) Uani 1 1 d . . . . .
C22 C 0.0942(7) 0.1065(6) -0.0743(5) 0.020(2) Uani 1 1 d . . . . .
C23 C 0.1021(6) 0.0274(6) -0.0917(5) 0.023(2) Uani 1 1 d . . . . .
H15 H 0.159296 0.003433 -0.089442 0.028 Uiso 1 1 calc R U . . .
C24 C 0.0297(7) -0.0166(6) -0.1119(5) 0.029(2) Uani 1 1 d . . . . .
H16 H 0.036622 -0.070549 -0.121837 0.034 Uiso 1 1 calc R U . . .
C25 C -0.0552(7) 0.0189(7) -0.1177(6) 0.036(3) Uani 1 1 d . . . . .
H17 H -0.105709 -0.011090 -0.131318 0.043 Uiso 1 1 calc R U . . .
C26 C -0.0644(7) 0.0955(7) -0.1038(6) 0.033(3) Uani 1 1 d . . . . .
H18 H -0.121612 0.118827 -0.109055 0.040 Uiso 1 1 calc R U . . .
C27 C 0.0086(7) 0.1427(7) -0.0815(5) 0.027(2) Uani 1 1 d . . . . .
C28 C -0.0006(7) 0.2222(6) -0.0653(6) 0.031(3) Uani 1 1 d . . . . .
H19 H -0.056378 0.247190 -0.073457 0.037 Uiso 1 1 calc R U . . .
C29 C 0.0691(7) 0.2644(6) -0.0379(5) 0.025(2) Uani 1 1 d . . . . .
H20 H 0.061342 0.317839 -0.026362 0.030 Uiso 1 1 calc R U . . .
C30 C 0.1536(7) 0.2275(6) -0.0268(4) 0.022(2) Uani 1 1 d . . . . .
C31 C 0.8472(8) 0.1376(6) 0.0853(5) 0.024(2) Uani 1 1 d . . . . .
H21 H 0.784734 0.136806 0.076223 0.029 Uiso 1 1 calc R U . . .
C32 C 0.8869(7) 0.2073(6) 0.1049(6) 0.033(2) Uani 1 1 d . . . . .
H22 H 0.852536 0.253627 0.108611 0.040 Uiso 1 1 calc R U . . .
C33 C 0.9778(7) 0.2080(6) 0.1188(6) 0.031(3) Uani 1 1 d . . . . .
H23 H 1.005993 0.254700 0.134062 0.037 Uiso 1 1 calc R U . . .
C34 C 1.0269(7) 0.1417(6) 0.1107(6) 0.028(2) Uani 1 1 d . . . . .
H24 H 1.089549 0.141806 0.118949 0.034 Uiso 1 1 calc R U . . .
C35 C 0.9829(7) 0.0733(6) 0.0900(5) 0.023(2) Uani 1 1 d . . . . .
C36 C 1.0281(7) -0.0016(6) 0.0779(5) 0.021(2) Uani 1 1 d . . . . .
C37 C 1.1206(7) -0.0124(6) 0.0791(5) 0.025(2) Uani 1 1 d . . . . .
H25 H 1.159402 0.029802 0.090010 0.030 Uiso 1 1 calc R U . . .
C38 C 1.1548(8) -0.0854(6) 0.0642(5) 0.027(2) Uani 1 1 d . . . . .
H26 H 1.217490 -0.094106 0.064190 0.033 Uiso 1 1 calc R U . . .
C39 C 1.0962(7) -0.1454(6) 0.0493(6) 0.027(2) Uani 1 1 d . . . . .
H27 H 1.118726 -0.196018 0.039378 0.033 Uiso 1 1 calc R U . . .
C40 C 1.0056(7) -0.1323(6) 0.0488(6) 0.027(2) Uani 1 1 d . . . . .
H28 H 0.966010 -0.174041 0.038383 0.032 Uiso 1 1 calc R U . . .
C41 C 0.7411(8) -0.1531(6) -0.0146(5) 0.030(2) Uani 1 1 d . . . . .
C42 C 0.7665(8) -0.1893(6) -0.0795(6) 0.036(3) Uani 1 1 d . . . . .
H29 H 0.826812 -0.205494 -0.085064 0.043 Uiso 1 1 calc R U . . .
C43 C 0.7091(9) -0.2018(7) -0.1336(6) 0.040(3) Uani 1 1 d . . . . .
H30 H 0.729177 -0.225443 -0.176569 0.048 Uiso 1 1 calc R U . . .
C44 C 0.6187(8) -0.1795(6) -0.1260(6) 0.034(3) Uani 1 1 d . . . . .
C45 C 0.5549(10) -0.1894(7) -0.1828(6) 0.045(3) Uani 1 1 d . . . . .
H31 H 0.573406 -0.212887 -0.226321 0.055 Uiso 1 1 calc R U . . .
C46 C 0.4698(11) -0.1661(8) -0.1754(8) 0.054(4) Uani 1 1 d . . . . .
H32 H 0.429533 -0.170794 -0.214463 0.065 Uiso 1 1 calc R U . . .
C47 C 0.4399(9) -0.1348(7) -0.1106(7) 0.046(3) Uani 1 1 d . . . . .
H33 H 0.379231 -0.119425 -0.105605 0.056 Uiso 1 1 calc R U . . .
C48 C 0.4980(7) -0.1263(6) -0.0540(7) 0.033(2) Uani 1 1 d . . . . .
H34 H 0.476614 -0.105252 -0.010297 0.040 Uiso 1 1 calc R U . . .
C49 C 0.5891(7) -0.1483(6) -0.0597(6) 0.027(2) Uani 1 1 d . . . . .
C50 C 0.6515(7) -0.1366(6) -0.0026(5) 0.024(2) Uani 1 1 d . . . . .
C51 C 0.6225(6) -0.0970(6) 0.0658(5) 0.0228(16) Uani 1 1 d . U . . .
C52 C 0.5618(6) -0.1329(6) 0.1142(5) 0.0238(14) Uani 1 1 d . U . . .
C53 C 0.5330(6) -0.2115(6) 0.1071(6) 0.0259(16) Uani 1 1 d . U . . .
H35 H 0.551441 -0.240929 0.066760 0.031 Uiso 1 1 calc R U . . .
C54 C 0.4790(6) -0.2455(7) 0.1575(5) 0.0301(17) Uani 1 1 d . U . . .
H36 H 0.462763 -0.298688 0.152659 0.036 Uiso 1 1 calc R U . . .
C55 C 0.4476(7) -0.2025(7) 0.2161(6) 0.0332(18) Uani 1 1 d . U . . .
H37 H 0.409741 -0.226350 0.250471 0.040 Uiso 1 1 calc R U . . .
C56 C 0.4720(7) -0.1252(7) 0.2237(6) 0.0315(17) Uani 1 1 d . U . . .
H38 H 0.449287 -0.095800 0.262718 0.038 Uiso 1 1 calc R U . . .
C57 C 0.5299(7) -0.0895(6) 0.1743(6) 0.0274(15) Uani 1 1 d . U . . .
C58 C 0.5583(7) -0.0114(6) 0.1843(5) 0.0278(17) Uani 1 1 d . U . . .
H39 H 0.535044 0.018672 0.222658 0.033 Uiso 1 1 calc R U . . .
C59 C 0.6197(6) 0.0204(6) 0.1380(5) 0.0250(16) Uani 1 1 d . U . . .
H40 H 0.639616 0.072314 0.145531 0.030 Uiso 1 1 calc R U . . .
C60 C 0.6542(7) -0.0224(6) 0.0791(5) 0.0213(15) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 1.978(7) . ?
Pt1 N1 1.984(8) . ?
Pt1 O2 2.005(6) . ?
Pt1 O1 2.007(6) . ?
Pt2 N3 1.979(8) . ?
Pt2 N4 2.001(8) . ?
Pt2 O3 2.006(7) . ?
Pt2 O4 2.011(6) . ?
N1 C1 1.357(13) . ?
N1 C5 1.367(13) . ?
N2 C10 1.343(13) . ?
N2 C6 1.354(13) . ?
O1 C11 1.333(12) . ?
O2 C30 1.351(11) . ?
N3 C31 1.332(13) . ?
N3 C35 1.354(13) . ?
N4 C40 1.341(13) . ?
N4 C36 1.354(12) . ?
O3 C41 1.354(13) . ?
O4 C60 1.342(11) . ?
C1 C2 1.392(14) . ?
C1 H1 0.9500 . ?
C2 C3 1.373(15) . ?
C2 H2 0.9500 . ?
C3 C4 1.381(16) . ?
C3 H3 0.9500 . ?
C4 C5 1.390(15) . ?
C4 H4 0.9500 . ?
C5 C6 1.477(15) . ?
C6 C7 1.383(13) . ?
C7 C8 1.383(16) . ?
C7 H5 0.9500 . ?
C8 C9 1.361(17) . ?
C8 H6 0.9500 . ?
C9 C10 1.396(15) . ?
C9 H7 0.9500 . ?
C10 H8 0.9500 . ?
C11 C20 1.383(14) . ?
C11 C12 1.439(14) . ?
C12 C13 1.355(16) . ?
C12 H9 0.9500 . ?
C13 C14 1.398(16) . ?
C13 H10 0.9500 . ?
C14 C15 1.414(16) . ?
C14 C19 1.431(13) . ?
C15 C16 1.377(19) . ?
C15 H11 0.9500 . ?
C16 C17 1.412(17) . ?
C16 H12 0.9500 . ?
C17 C18 1.361(15) . ?
C17 H13 0.9500 . ?
C18 C19 1.404(15) . ?
C18 H14 0.9500 . ?
C19 C20 1.438(14) . ?
C20 C21 1.505(13) . ?
C21 C30 1.378(13) . ?
C21 C22 1.432(13) . ?
C22 C23 1.402(14) . ?
C22 C27 1.430(14) . ?
C23 C24 1.373(13) . ?
C23 H15 0.9500 . ?
C24 C25 1.413(15) . ?
C24 H16 0.9500 . ?
C25 C26 1.348(16) . ?
C25 H17 0.9500 . ?
C26 C27 1.422(15) . ?
C26 H18 0.9500 . ?
C27 C28 1.405(15) . ?
C28 C29 1.369(15) . ?
C28 H19 0.9500 . ?
C29 C30 1.429(14) . ?
C29 H20 0.9500 . ?
C31 C32 1.385(14) . ?
C31 H21 0.9500 . ?
C32 C33 1.384(15) . ?
C32 H22 0.9500 . ?
C33 C34 1.364(15) . ?
C33 H23 0.9500 . ?
C34 C35 1.400(14) . ?
C34 H24 0.9500 . ?
C35 C36 1.472(14) . ?
C36 C37 1.396(14) . ?
C37 C38 1.382(14) . ?
C37 H25 0.9500 . ?
C38 C39 1.381(14) . ?
C38 H26 0.9500 . ?
C39 C40 1.375(14) . ?
C39 H27 0.9500 . ?
C40 H28 0.9500 . ?
C41 C50 1.388(16) . ?
C41 C42 1.416(14) . ?
C42 C43 1.344(17) . ?
C42 H29 0.9500 . ?
C43 C44 1.413(16) . ?
C43 H30 0.9500 . ?
C44 C49 1.423(16) . ?
C44 C45 1.437(17) . ?
C45 C46 1.343(19) . ?
C45 H31 0.9500 . ?
C46 C47 1.399(19) . ?
C46 H32 0.9500 . ?
C47 C48 1.378(17) . ?
C47 H33 0.9500 . ?
C48 C49 1.417(15) . ?
C48 H34 0.9500 . ?
C49 C50 1.433(15) . ?
C50 C51 1.513(14) . ?
C51 C60 1.389(14) . ?
C51 C52 1.423(14) . ?
C52 C53 1.422(13) . ?
C52 C57 1.431(14) . ?
C53 C54 1.371(14) . ?
C53 H35 0.9500 . ?
C54 C55 1.403(15) . ?
C54 H36 0.9500 . ?
C55 C56 1.384(15) . ?
C55 H37 0.9500 . ?
C56 C57 1.406(15) . ?
C56 H38 0.9500 . ?
C57 C58 1.419(15) . ?
C58 C59 1.377(14) . ?
C58 H39 0.9500 . ?
C59 C60 1.420(13) . ?
C59 H40 0.9500 . ?

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 N1 81.1(3) . . ?
N2 Pt1 O2 176.2(3) . . ?
N1 Pt1 O2 95.1(3) . . ?
N2 Pt1 O1 90.9(3) . . ?
N1 Pt1 O1 172.0(3) . . ?
O2 Pt1 O1 92.9(3) . . ?
N3 Pt2 N4 81.2(3) . . ?
N3 Pt2 O3 173.0(3) . . ?
N4 Pt2 O3 92.9(3) . . ?
N3 Pt2 O4 93.4(3) . . ?
N4 Pt2 O4 173.3(3) . . ?
O3 Pt2 O4 92.8(3) . . ?
C1 N1 C5 119.3(9) . . ?
C1 N1 Pt1 125.1(7) . . ?
C5 N1 Pt1 115.4(7) . . ?
C10 N2 C6 118.9(8) . . ?
C10 N2 Pt1 125.2(7) . . ?
C6 N2 Pt1 115.9(7) . . ?
C11 O1 Pt1 119.6(6) . . ?
C30 O2 Pt1 112.8(5) . . ?
C31 N3 C35 118.8(9) . . ?
C31 N3 Pt2 125.8(7) . . ?
C35 N3 Pt2 115.4(7) . . ?
C40 N4 C36 119.9(8) . . ?
C40 N4 Pt2 125.2(7) . . ?
C36 N4 Pt2 114.6(6) . . ?
C41 O3 Pt2 117.2(6) . . ?
C60 O4 Pt2 116.6(6) . . ?
N1 C1 C2 121.3(10) . . ?
N1 C1 H1 119.4 . . ?
C2 C1 H1 119.4 . . ?
C3 C2 C1 119.4(11) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C2 C3 C4 119.6(10) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 119.7(10) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
N1 C5 C4 120.6(10) . . ?
N1 C5 C6 113.6(9) . . ?
C4 C5 C6 125.8(10) . . ?
N2 C6 C7 121.7(10) . . ?
N2 C6 C5 114.0(8) . . ?
C7 C6 C5 124.3(10) . . ?
C8 C7 C6 118.5(11) . . ?
C8 C7 H5 120.8 . . ?
C6 C7 H5 120.8 . . ?
C9 C8 C7 120.6(11) . . ?
C9 C8 H6 119.7 . . ?
C7 C8 H6 119.7 . . ?
C8 C9 C10 118.3(12) . . ?
C8 C9 H7 120.8 . . ?
C10 C9 H7 120.8 . . ?
N2 C10 C9 122.0(11) . . ?
N2 C10 H8 119.0 . . ?
C9 C10 H8 119.0 . . ?
O1 C11 C20 122.7(9) . . ?
O1 C11 C12 117.5(9) . . ?
C20 C11 C12 119.7(10) . . ?
C13 C12 C11 120.3(10) . . ?
C13 C12 H9 119.9 . . ?
C11 C12 H9 119.9 . . ?
C12 C13 C14 121.5(10) . . ?
C12 C13 H10 119.2 . . ?
C14 C13 H10 119.2 . . ?
C13 C14 C15 121.8(10) . . ?
C13 C14 C19 119.9(11) . . ?
C15 C14 C19 118.3(11) . . ?
C16 C15 C14 121.8(11) . . ?
C16 C15 H11 119.1 . . ?
C14 C15 H11 119.1 . . ?
C15 C16 C17 119.1(12) . . ?
C15 C16 H12 120.5 . . ?
C17 C16 H12 120.5 . . ?
C18 C17 C16 120.5(12) . . ?
C18 C17 H13 119.7 . . ?
C16 C17 H13 119.7 . . ?
C17 C18 C19 121.7(10) . . ?
C17 C18 H14 119.1 . . ?
C19 C18 H14 119.1 . . ?
C18 C19 C14 118.6(10) . . ?
C18 C19 C20 123.2(9) . . ?
C14 C19 C20 118.1(10) . . ?
C11 C20 C19 120.3(9) . . ?
C11 C20 C21 120.4(9) . . ?
C19 C20 C21 119.2(9) . . ?
C30 C21 C22 119.6(9) . . ?
C30 C21 C20 118.9(8) . . ?
C22 C21 C20 121.5(8) . . ?
C23 C22 C27 118.4(9) . . ?
C23 C22 C21 122.8(9) . . ?
C27 C22 C21 118.8(9) . . ?
C24 C23 C22 122.0(9) . . ?
C24 C23 H15 119.0 . . ?
C22 C23 H15 119.0 . . ?
C23 C24 C25 119.5(10) . . ?
C23 C24 H16 120.3 . . ?
C25 C24 H16 120.3 . . ?
C26 C25 C24 119.9(9) . . ?
C26 C25 H17 120.0 . . ?
C24 C25 H17 120.0 . . ?
C25 C26 C27 122.3(10) . . ?
C25 C26 H18 118.9 . . ?
C27 C26 H18 118.9 . . ?
C28 C27 C26 122.8(10) . . ?
C28 C27 C22 119.4(10) . . ?
C26 C27 C22 117.8(10) . . ?
C29 C28 C27 121.3(9) . . ?
C29 C28 H19 119.4 . . ?
C27 C28 H19 119.4 . . ?
C28 C29 C30 119.6(9) . . ?
C28 C29 H20 120.2 . . ?
C30 C29 H20 120.2 . . ?
O2 C30 C21 121.4(9) . . ?
O2 C30 C29 118.0(8) . . ?
C21 C30 C29 120.6(9) . . ?
N3 C31 C32 122.4(10) . . ?
N3 C31 H21 118.8 . . ?
C32 C31 H21 118.8 . . ?
C33 C32 C31 118.6(10) . . ?
C33 C32 H22 120.7 . . ?
C31 C32 H22 120.7 . . ?
C34 C33 C32 120.0(10) . . ?
C34 C33 H23 120.0 . . ?
C32 C33 H23 120.0 . . ?
C33 C34 C35 118.6(10) . . ?
C33 C34 H24 120.7 . . ?
C35 C34 H24 120.7 . . ?
N3 C35 C34 121.6(10) . . ?
N3 C35 C36 114.3(9) . . ?
C34 C35 C36 124.1(9) . . ?
N4 C36 C37 121.1(9) . . ?
N4 C36 C35 114.3(8) . . ?
C37 C36 C35 124.6(9) . . ?
C38 C37 C36 118.9(10) . . ?
C38 C37 H25 120.6 . . ?
C36 C37 H25 120.6 . . ?
C39 C38 C37 118.9(10) . . ?
C39 C38 H26 120.5 . . ?
C37 C38 H26 120.5 . . ?
C40 C39 C38 120.3(9) . . ?
C40 C39 H27 119.9 . . ?
C38 C39 H27 119.9 . . ?
N4 C40 C39 121.0(9) . . ?
N4 C40 H28 119.5 . . ?
C39 C40 H28 119.5 . . ?
O3 C41 C50 122.3(9) . . ?
O3 C41 C42 118.4(10) . . ?
C50 C41 C42 119.1(11) . . ?
C43 C42 C41 123.0(12) . . ?
C43 C42 H29 118.5 . . ?
C41 C42 H29 118.5 . . ?
C42 C43 C44 119.5(11) . . ?
C42 C43 H30 120.2 . . ?
C44 C43 H30 120.2 . . ?
C43 C44 C49 119.2(11) . . ?
C43 C44 C45 122.0(11) . . ?
C49 C44 C45 118.9(11) . . ?
C46 C45 C44 121.2(12) . . ?
C46 C45 H31 119.4 . . ?
C44 C45 H31 119.4 . . ?
C45 C46 C47 120.4(13) . . ?
C45 C46 H32 119.8 . . ?
C47 C46 H32 119.8 . . ?
C48 C47 C46 120.3(13) . . ?
C48 C47 H33 119.8 . . ?
C46 C47 H33 119.8 . . ?
C47 C48 C49 121.4(12) . . ?
C47 C48 H34 119.3 . . ?
C49 C48 H34 119.3 . . ?
C48 C49 C44 117.7(11) . . ?
C48 C49 C50 122.3(10) . . ?
C44 C49 C50 120.0(10) . . ?
C41 C50 C49 118.8(9) . . ?
C41 C50 C51 120.4(9) . . ?
C49 C50 C51 120.4(9) . . ?
C60 C51 C52 120.3(9) . . ?
C60 C51 C50 118.0(8) . . ?
C52 C51 C50 121.7(9) . . ?
C53 C52 C51 123.1(9) . . ?
C53 C52 C57 117.7(9) . . ?
C51 C52 C57 119.1(9) . . ?
C54 C53 C52 121.2(10) . . ?
C54 C53 H35 119.4 . . ?
C52 C53 H35 119.4 . . ?
C53 C54 C55 120.7(11) . . ?
C53 C54 H36 119.7 . . ?
C55 C54 H36 119.7 . . ?
C56 C55 C54 119.8(10) . . ?
C56 C55 H37 120.1 . . ?
C54 C55 H37 120.1 . . ?
C55 C56 C57 120.8(10) . . ?
C55 C56 H38 119.6 . . ?
C57 C56 H38 119.6 . . ?
C56 C57 C58 120.6(10) . . ?
C56 C57 C52 119.7(10) . . ?
C58 C57 C52 119.7(9) . . ?
C59 C58 C57 119.5(9) . . ?
C59 C58 H39 120.3 . . ?
C57 C58 H39 120.3 . . ?
C58 C59 C60 121.7(10) . . ?
C58 C59 H40 119.2 . . ?
C60 C59 H40 119.2 . . ?
O4 C60 C51 122.6(8) . . ?
O4 C60 C59 117.9(9) . . ?
C51 C60 C59 119.5(9) . . ?

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
C5 N1 C1 C2 -1.0(14) . . . . ?
Pt1 N1 C1 C2 -175.9(7) . . . . ?
N1 C1 C2 C3 0.0(14) . . . . ?
C1 C2 C3 C4 0.1(15) . . . . ?
C2 C3 C4 C5 0.9(16) . . . . ?
C1 N1 C5 C4 1.9(14) . . . . ?
Pt1 N1 C5 C4 177.3(8) . . . . ?
C1 N1 C5 C6 -177.0(8) . . . . ?
Pt1 N1 C5 C6 -1.6(11) . . . . ?
C3 C4 C5 N1 -1.9(16) . . . . ?
C3 C4 C5 C6 176.9(10) . . . . ?
C10 N2 C6 C7 -0.9(15) . . . . ?
Pt1 N2 C6 C7 177.5(8) . . . . ?
C10 N2 C6 C5 179.6(9) . . . . ?
Pt1 N2 C6 C5 -2.0(11) . . . . ?
N1 C5 C6 N2 2.3(13) . . . . ?
C4 C5 C6 N2 -176.5(10) . . . . ?
N1 C5 C6 C7 -177.1(10) . . . . ?
C4 C5 C6 C7 4.0(17) . . . . ?
N2 C6 C7 C8 0.7(16) . . . . ?
C5 C6 C7 C8 -179.9(10) . . . . ?
C6 C7 C8 C9 -0.8(17) . . . . ?
C7 C8 C9 C10 1.1(17) . . . . ?
C6 N2 C10 C9 1.2(16) . . . . ?
Pt1 N2 C10 C9 -177.0(8) . . . . ?
C8 C9 C10 N2 -1.3(17) . . . . ?
Pt1 O1 C11 C20 -70.7(10) . . . . ?
Pt1 O1 C11 C12 110.7(8) . . . . ?
O1 C11 C12 C13 -179.3(9) . . . . ?
C20 C11 C12 C13 2.1(15) . . . . ?
C11 C12 C13 C14 -0.2(16) . . . . ?
C12 C13 C14 C15 176.7(12) . . . . ?
C12 C13 C14 C19 -1.7(16) . . . . ?
C13 C14 C15 C16 -177.8(13) . . . . ?
C19 C14 C15 C16 0.6(19) . . . . ?
C14 C15 C16 C17 -1(2) . . . . ?
C15 C16 C17 C18 0(2) . . . . ?
C16 C17 C18 C19 0.7(19) . . . . ?
C17 C18 C19 C14 -0.7(16) . . . . ?
C17 C18 C19 C20 176.0(11) . . . . ?
C13 C14 C19 C18 178.5(10) . . . . ?
C15 C14 C19 C18 0.0(15) . . . . ?
C13 C14 C19 C20 1.7(14) . . . . ?
C15 C14 C19 C20 -176.8(10) . . . . ?
O1 C11 C20 C19 179.4(9) . . . . ?
C12 C11 C20 C19 -2.0(13) . . . . ?
O1 C11 C20 C21 3.3(13) . . . . ?
C12 C11 C20 C21 -178.2(8) . . . . ?
C18 C19 C20 C11 -176.5(10) . . . . ?
C14 C19 C20 C11 0.2(13) . . . . ?
C18 C19 C20 C21 -0.3(14) . . . . ?
C14 C19 C20 C21 176.4(8) . . . . ?
C11 C20 C21 C30 62.8(12) . . . . ?
C19 C20 C21 C30 -113.4(10) . . . . ?
C11 C20 C21 C22 -115.1(10) . . . . ?
C19 C20 C21 C22 68.7(12) . . . . ?
C30 C21 C22 C23 -173.3(9) . . . . ?
C20 C21 C22 C23 4.6(14) . . . . ?
C30 C21 C22 C27 7.1(13) . . . . ?
C20 C21 C22 C27 -175.1(9) . . . . ?
C27 C22 C23 C24 -3.3(14) . . . . ?
C21 C22 C23 C24 177.1(9) . . . . ?
C22 C23 C24 C25 2.1(15) . . . . ?
C23 C24 C25 C26 0.4(16) . . . . ?
C24 C25 C26 C27 -1.5(17) . . . . ?
C25 C26 C27 C28 -178.5(10) . . . . ?
C25 C26 C27 C22 0.3(16) . . . . ?
C23 C22 C27 C28 -179.1(9) . . . . ?
C21 C22 C27 C28 0.5(14) . . . . ?
C23 C22 C27 C26 2.0(14) . . . . ?
C21 C22 C27 C26 -178.3(9) . . . . ?
C26 C27 C28 C29 174.1(10) . . . . ?
C22 C27 C28 C29 -4.7(15) . . . . ?
C27 C28 C29 C30 1.2(15) . . . . ?
Pt1 O2 C30 C21 -76.8(9) . . . . ?
Pt1 O2 C30 C29 105.1(8) . . . . ?
C22 C21 C30 O2 171.3(8) . . . . ?
C20 C21 C30 O2 -6.6(13) . . . . ?
C22 C21 C30 C29 -10.7(13) . . . . ?
C20 C21 C30 C29 171.4(8) . . . . ?
C28 C29 C30 O2 -175.3(8) . . . . ?
C28 C29 C30 C21 6.6(14) . . . . ?
C35 N3 C31 C32 -1.8(14) . . . . ?
Pt2 N3 C31 C32 178.3(8) . . . . ?
N3 C31 C32 C33 -0.7(16) . . . . ?
C31 C32 C33 C34 2.4(17) . . . . ?
C32 C33 C34 C35 -1.6(16) . . . . ?
C31 N3 C35 C34 2.5(14) . . . . ?
Pt2 N3 C35 C34 -177.5(7) . . . . ?
C31 N3 C35 C36 -177.0(8) . . . . ?
Pt2 N3 C35 C36 2.9(10) . . . . ?
C33 C34 C35 N3 -0.9(15) . . . . ?
C33 C34 C35 C36 178.7(10) . . . . ?
C40 N4 C36 C37 -0.2(14) . . . . ?
Pt2 N4 C36 C37 -173.9(7) . . . . ?
C40 N4 C36 C35 178.1(9) . . . . ?
Pt2 N4 C36 C35 4.3(10) . . . . ?
N3 C35 C36 N4 -4.8(12) . . . . ?
C34 C35 C36 N4 175.7(9) . . . . ?
N3 C35 C36 C37 173.4(9) . . . . ?
C34 C35 C36 C37 -6.2(15) . . . . ?
N4 C36 C37 C38 0.5(14) . . . . ?
C35 C36 C37 C38 -177.6(9) . . . . ?
C36 C37 C38 C39 -0.7(14) . . . . ?
C37 C38 C39 C40 0.5(16) . . . . ?
C36 N4 C40 C39 0.0(16) . . . . ?
Pt2 N4 C40 C39 173.1(8) . . . . ?
C38 C39 C40 N4 -0.2(17) . . . . ?
Pt2 O3 C41 C50 -75.9(10) . . . . ?
Pt2 O3 C41 C42 109.5(8) . . . . ?
O3 C41 C42 C43 -178.5(9) . . . . ?
C50 C41 C42 C43 6.7(15) . . . . ?
C41 C42 C43 C44 -1.2(16) . . . . ?
C42 C43 C44 C49 -3.5(16) . . . . ?
C42 C43 C44 C45 178.2(10) . . . . ?
C43 C44 C45 C46 -178.2(12) . . . . ?
C49 C44 C45 C46 3.5(18) . . . . ?
C44 C45 C46 C47 -3(2) . . . . ?
C45 C46 C47 C48 1(2) . . . . ?
C46 C47 C48 C49 0.3(19) . . . . ?
C47 C48 C49 C44 0.0(16) . . . . ?
C47 C48 C49 C50 177.1(11) . . . . ?
C43 C44 C49 C48 179.8(10) . . . . ?
C45 C44 C49 C48 -1.8(15) . . . . ?
C43 C44 C49 C50 2.7(15) . . . . ?
C45 C44 C49 C50 -179.0(10) . . . . ?
O3 C41 C50 C49 178.1(9) . . . . ?
C42 C41 C50 C49 -7.3(14) . . . . ?
O3 C41 C50 C51 6.3(14) . . . . ?
C42 C41 C50 C51 -179.2(9) . . . . ?
C48 C49 C50 C41 -174.2(10) . . . . ?
C44 C49 C50 C41 2.8(14) . . . . ?
C48 C49 C50 C51 -2.3(15) . . . . ?
C44 C49 C50 C51 174.7(9) . . . . ?
C41 C50 C51 C60 62.7(13) . . . . ?
C49 C50 C51 C60 -109.0(11) . . . . ?
C41 C50 C51 C52 -119.7(11) . . . . ?
C49 C50 C51 C52 68.5(13) . . . . ?
C60 C51 C52 C53 -174.3(9) . . . . ?
C50 C51 C52 C53 8.2(15) . . . . ?
C60 C51 C52 C57 3.7(14) . . . . ?
C50 C51 C52 C57 -173.8(9) . . . . ?
C51 C52 C53 C54 175.7(10) . . . . ?
C57 C52 C53 C54 -2.3(15) . . . . ?
C52 C53 C54 C55 2.7(16) . . . . ?
C53 C54 C55 C56 -0.7(16) . . . . ?
C54 C55 C56 C57 -1.7(17) . . . . ?
C55 C56 C57 C58 -176.8(10) . . . . ?
C55 C56 C57 C52 2.0(16) . . . . ?
C53 C52 C57 C56 0.0(15) . . . . ?
C51 C52 C57 C56 -178.1(10) . . . . ?
C53 C52 C57 C58 178.8(9) . . . . ?
C51 C52 C57 C58 0.6(15) . . . . ?
C56 C57 C58 C59 175.5(10) . . . . ?
C52 C57 C58 C59 -3.2(15) . . . . ?
C57 C58 C59 C60 1.5(15) . . . . ?
Pt2 O4 C60 C51 -72.0(10) . . . . ?
Pt2 O4 C60 C59 105.5(8) . . . . ?
C52 C51 C60 O4 172.0(9) . . . . ?
C50 C51 C60 O4 -10.4(14) . . . . ?
C52 C51 C60 C59 -5.5(14) . . . . ?
C50 C51 C60 C59 172.1(9) . . . . ?
C58 C59 C60 O4 -174.7(9) . . . . ?
C58 C59 C60 C51 2.9(14) . . . . ?

_refine_diff_density_max         2.035
_refine_diff_density_min         -1.522
_refine_diff_density_rms         0.146



