# Electronic Supplementary Material (ESI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2019

####################################################################### 
# 
# 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_zxg-gf-c1
_database_code_depnum_ccdc_archive 'CCDC 1589683'
loop_
_audit_author_name
_audit_author_address
'Haifeng Xiang' ??'f?ffb
_audit_update_record             
;
2017-12-07 deposited with the CCDC.	2019-04-18 downloaded from the CCDC.
;
_audit_creation_date             2016-09-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H36 N4 O2 Pt2'
_chemical_formula_sum            'C42 H36 N4 O2 Pt2'
_chemical_formula_weight         1018.93
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.7680(3)
_cell_length_b                   17.4213(5)
_cell_length_c                   17.5279(5)
_cell_angle_alpha                90
_cell_angle_beta                 97.615(2)
_cell_angle_gamma                90
_cell_volume                     3561.78(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8037
_cell_measurement_temperature    294.56(10)
_cell_measurement_theta_max      27.6430
_cell_measurement_theta_min      3.5900
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.889
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.31598
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orangish orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.900
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0517
_diffrn_reflns_av_unetI/netI     0.0508
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.909
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24508
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.909
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.037
_diffrn_reflns_theta_min         3.317
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      294.56(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9595
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.909
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -11.00  103.00   1.0000    8.0200
omega____ theta____ kappa____ phi______ frames
    -       26.8306   57.0000 -180.0000 114

#__ type_ start__ end____ width___ exp.time_
  2 omega  -49.00   65.00   1.0000    8.0200
omega____ theta____ kappa____ phi______ frames
    -       26.8306  -57.0000   30.0000 114

#__ type_ start__ end____ width___ exp.time_
  3 omega  -58.00   70.00   1.0000    8.0200
omega____ theta____ kappa____ phi______ frames
    -       26.8306  -77.0000  -60.0000 128

#__ type_ start__ end____ width___ exp.time_
  4 omega  -11.00  103.00   1.0000    8.0200
omega____ theta____ kappa____ phi______ frames
    -       26.8306   57.0000   30.0000 114
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Gemini, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0353838000
_diffrn_orient_matrix_UB_12      0.0053065000
_diffrn_orient_matrix_UB_13      0.0293424000
_diffrn_orient_matrix_UB_21      -0.0196555000
_diffrn_orient_matrix_UB_22      0.0353674000
_diffrn_orient_matrix_UB_23      -0.0169608000
_diffrn_orient_matrix_UB_31      -0.0454211000
_diffrn_orient_matrix_UB_32      -0.0194381000
_diffrn_orient_matrix_UB_33      -0.0227427000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6284
_reflns_number_total             7845
_reflns_odcompleteness_completeness 99.64
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.965
_refine_diff_density_min         -2.292
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         7845
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0378
_refine_ls_restrained_S_all      1.040
_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)+(0.0450P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0851
_refine_ls_wR_factor_ref         0.0945
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00D(H00D), C00F(H00F)
2.b Secondary CH2 refined with riding coordinates:
 C00U(H00A,H00B), C010(H01A,H01B), C018(H01C,H01D), C019(H01E,H01F)
2.c Aromatic/amide H refined with riding coordinates:
 C009(H009), C00C(H00C), C00K(H00K), C00M(H00M), C00N(H00N), C00P(H00P),
 C00Q(H00Q), C00R(H00R), C00S(H00S), C00V(H00V), C00W(H00W), C00X(H00X),
 C00Y(H00Y), C00Z(H00Z), C011(H011), C012(H012), C013(H013), C014(H014),
 C015(H015), C016(H016), C017(H017), C01A(H01G), C01B(H01H), C01C(H01I),
 C01D(H01J), C01E(H01K)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.22000(2) 0.29961(2) 0.29244(2) 0.03405(8) Uani 1 1 d . . . . .
Pt02 Pt 0.29948(2) 0.52383(2) 0.29814(2) 0.03683(8) Uani 1 1 d . . . . .
O003 O 0.1570(4) 0.3641(2) 0.1975(2) 0.0445(10) Uani 1 1 d . . . . .
N004 N 0.3399(4) 0.4568(3) 0.3914(3) 0.0347(11) Uani 1 1 d . . . . .
O005 O 0.4107(4) 0.4634(3) 0.2379(3) 0.0558(12) Uani 1 1 d . . . . .
N006 N 0.1370(4) 0.3658(3) 0.3608(3) 0.0343(11) Uani 1 1 d . . . . .
N007 N 0.3280(4) 0.2476(3) 0.2290(3) 0.0411(12) Uani 1 1 d . . . . .
N008 N 0.2354(4) 0.5787(3) 0.2004(3) 0.0479(14) Uani 1 1 d . . . . .
C009 C 0.4221(5) 0.4054(4) 0.3962(4) 0.0429(15) Uani 1 1 d . . . . .
H009 H 0.4282 0.3740 0.4395 0.052 Uiso 1 1 calc R . . . .
C00A C 0.0678(4) 0.4092(3) 0.1928(3) 0.0349(13) Uani 1 1 d . . . . .
C00B C 0.2783(5) 0.2166(4) 0.3660(4) 0.0408(14) Uani 1 1 d . . . . .
C00C C 0.0565(5) 0.4139(3) 0.3342(3) 0.0409(14) Uani 1 1 d . . . . .
H00C H 0.0238 0.4413 0.3713 0.049 Uiso 1 1 calc R . . . .
C00D C 0.1884(5) 0.3777(3) 0.4421(3) 0.0369(13) Uani 1 1 d . . . . .
H00D H 0.2405 0.3346 0.4564 0.044 Uiso 1 1 calc R . . . .
C00E C 0.2087(4) 0.6052(3) 0.3427(3) 0.0379(13) Uani 1 1 d . . . . .
C00F C 0.2605(5) 0.4514(3) 0.4499(3) 0.0351(13) Uani 1 1 d . . . . .
H00F H 0.2068 0.4944 0.4407 0.042 Uiso 1 1 calc R . . . .
C00G C 0.3632(5) 0.1700(4) 0.3395(4) 0.0456(15) Uani 1 1 d . . . . .
C00H C 0.0112(5) 0.4307(4) 0.2560(3) 0.0379(13) Uani 1 1 d . . . . .
C00I C 0.4944(5) 0.4201(4) 0.2700(4) 0.0532(18) Uani 1 1 d . . . . .
C00J C 0.3946(5) 0.1904(4) 0.2642(4) 0.0448(16) Uani 1 1 d . . . . .
C00K C 0.0242(5) 0.4400(4) 0.1203(3) 0.0436(15) Uani 1 1 d . . . . .
H00K H 0.0593 0.4267 0.0776 0.052 Uiso 1 1 calc R . . . .
C00L C 0.5032(5) 0.3909(4) 0.3444(4) 0.0512(17) Uani 1 1 d . . . . .
C00M C 0.3470(6) 0.2742(4) 0.1603(4) 0.0503(16) Uani 1 1 d . . . . .
H00M H 0.3015 0.3138 0.1376 0.060 Uiso 1 1 calc R . . . .
C00N C 0.2162(5) 0.6323(4) 0.4177(4) 0.0454(15) Uani 1 1 d . . . . .
H00N H 0.2640 0.6066 0.4559 0.055 Uiso 1 1 calc R . . . .
C00O C 0.1396(5) 0.6493(4) 0.2864(4) 0.0488(16) Uani 1 1 d . . . . .
C00P C 0.1558(7) 0.6959(4) 0.4386(5) 0.061(2) Uani 1 1 d . . . . .
H00P H 0.1636 0.7128 0.4894 0.073 Uiso 1 1 calc R . . . .
C00Q C -0.0815(6) 0.4824(4) 0.2445(4) 0.0550(19) Uani 1 1 d . . . . .
H00Q H -0.1164 0.4979 0.2865 0.066 Uiso 1 1 calc R . . . .
C00R C -0.1213(6) 0.5102(4) 0.1734(4) 0.0585(19) Uani 1 1 d . . . . .
H00R H -0.1838 0.5434 0.1669 0.070 Uiso 1 1 calc R . . . .
C00S C 0.4781(6) 0.1584(5) 0.2271(5) 0.068(2) Uani 1 1 d . . . . .
H00S H 0.5214 0.1178 0.2498 0.082 Uiso 1 1 calc R . . . .
C00T C 0.1504(6) 0.6305(4) 0.2080(4) 0.0504(17) Uani 1 1 d . . . . .
C00U C 0.1002(6) 0.3794(4) 0.4998(3) 0.0507(17) Uani 1 1 d . . . . .
H00A H 0.0464 0.4210 0.4867 0.061 Uiso 1 1 calc R . . . .
H00B H 0.0576 0.3316 0.4967 0.061 Uiso 1 1 calc R . . . .
C00V C 0.0768(6) 0.7117(4) 0.3080(5) 0.061(2) Uani 1 1 d . . . . .
H00V H 0.0294 0.7387 0.2705 0.073 Uiso 1 1 calc R . . . .
C00W C 0.2390(6) 0.1925(4) 0.4333(4) 0.0482(16) Uani 1 1 d . . . . .
H00W H 0.1792 0.2191 0.4511 0.058 Uiso 1 1 calc R . . . .
C00X C 0.4988(6) 0.1855(5) 0.1569(5) 0.069(2) Uani 1 1 d . . . . .
H00X H 0.5573 0.1643 0.1328 0.083 Uiso 1 1 calc R . . . .
C00Y C -0.0677(6) 0.4887(4) 0.1108(4) 0.0506(17) Uani 1 1 d . . . . .
H00Y H -0.0945 0.5075 0.0620 0.061 Uiso 1 1 calc R . . . .
C00Z C 0.2870(7) 0.1289(4) 0.4753(4) 0.0591(19) Uani 1 1 d . . . . .
H00Z H 0.2599 0.1148 0.5208 0.071 Uiso 1 1 calc R . . . .
C010 C 0.3201(6) 0.4598(4) 0.5319(3) 0.0523(17) Uani 1 1 d . . . . .
H01A H 0.3724 0.4171 0.5440 0.063 Uiso 1 1 calc R . . . .
H01B H 0.3646 0.5068 0.5363 0.063 Uiso 1 1 calc R . . . .
C011 C 0.4126(6) 0.1076(4) 0.3819(5) 0.066(2) Uani 1 1 d . . . . .
H011 H 0.4714 0.0797 0.3644 0.080 Uiso 1 1 calc R . . . .
C012 C 0.2640(7) 0.5596(5) 0.1306(4) 0.067(2) Uani 1 1 d . . . . .
H012 H 0.3218 0.5241 0.1263 0.080 Uiso 1 1 calc R . . . .
C013 C 0.0837(7) 0.7334(5) 0.3818(5) 0.073(2) Uani 1 1 d . . . . .
H013 H 0.0393 0.7742 0.3950 0.088 Uiso 1 1 calc R . . . .
C014 C 0.4327(6) 0.2442(5) 0.1220(4) 0.066(2) Uani 1 1 d . . . . .
H014 H 0.4452 0.2631 0.0742 0.079 Uiso 1 1 calc R . . . .
C015 C 0.0886(7) 0.6636(5) 0.1429(4) 0.067(2) Uani 1 1 d . . . . .
H015 H 0.0300 0.6985 0.1477 0.081 Uiso 1 1 calc R . . . .
C016 C 0.3731(7) 0.0878(5) 0.4497(5) 0.072(2) Uani 1 1 d . . . . .
H016 H 0.4053 0.0464 0.4782 0.087 Uiso 1 1 calc R . . . .
C017 C 0.5827(6) 0.4002(5) 0.2245(5) 0.075(2) Uani 1 1 d . . . . .
H017 H 0.5803 0.4198 0.1749 0.090 Uiso 1 1 calc R . . . .
C018 C 0.1607(7) 0.3906(5) 0.5822(4) 0.063(2) Uani 1 1 d . . . . .
H01C H 0.1037 0.3944 0.6172 0.076 Uiso 1 1 calc R . . . .
H01D H 0.2084 0.3462 0.5970 0.076 Uiso 1 1 calc R . . . .
C019 C 0.2336(7) 0.4615(5) 0.5888(4) 0.061(2) Uani 1 1 d . . . . .
H01E H 0.2738 0.4654 0.6407 0.073 Uiso 1 1 calc R . . . .
H01F H 0.1851 0.5063 0.5791 0.073 Uiso 1 1 calc R . . . .
C01A C 0.5947(6) 0.3407(5) 0.3717(5) 0.068(2) Uani 1 1 d . . . . .
H01G H 0.5987 0.3212 0.4214 0.081 Uiso 1 1 calc R . . . .
C01B C 0.2048(9) 0.5946(6) 0.0641(5) 0.089(3) Uani 1 1 d . . . . .
H01H H 0.2261 0.5843 0.0159 0.107 Uiso 1 1 calc R . . . .
C01C C 0.6709(7) 0.3523(6) 0.2537(7) 0.099(4) Uani 1 1 d . . . . .
H01I H 0.7283 0.3408 0.2238 0.119 Uiso 1 1 calc R . . . .
C01D C 0.1157(9) 0.6439(6) 0.0712(5) 0.085(3) Uani 1 1 d . . . . .
H01J H 0.0732 0.6641 0.0272 0.102 Uiso 1 1 calc R . . . .
C01E C 0.6759(7) 0.3201(6) 0.3282(7) 0.093(3) Uani 1 1 d . . . . .
H01K H 0.7336 0.2858 0.3467 0.112 Uiso 1 1 calc R . . . .


_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
Pt01 O003 2.063(4) . ?
Pt01 N006 2.007(4) . ?
Pt01 N007 2.012(5) . ?
Pt01 C00B 1.997(6) . ?
Pt02 N004 2.015(5) . ?
Pt02 O005 2.074(4) . ?
Pt02 N008 2.018(5) . ?
Pt02 C00E 1.996(6) . ?
O003 C00A 1.305(6) . ?
N004 C009 1.312(7) . ?
N004 C00F 1.479(7) . ?
O005 C00I 1.308(8) . ?
N006 C00C 1.304(7) . ?
N006 C00D 1.488(7) . ?
N007 C00J 1.363(8) . ?
N007 C00M 1.336(8) . ?
N008 C00T 1.367(9) . ?
N008 C012 1.354(8) . ?
C009 H009 0.9300 . ?
C009 C00L 1.424(9) . ?
C00A C00H 1.417(8) . ?
C00A C00K 1.411(8) . ?
C00B C00G 1.413(8) . ?
C00B C00W 1.388(9) . ?
C00C H00C 0.9300 . ?
C00C C00H 1.433(8) . ?
C00D H00D 0.9800 . ?
C00D C00F 1.534(8) . ?
C00D C00U 1.542(8) . ?
C00E C00N 1.387(8) . ?
C00E C00O 1.418(8) . ?
C00F H00F 0.9800 . ?
C00F C010 1.520(8) . ?
C00G C00J 1.461(9) . ?
C00G C011 1.400(9) . ?
C00H C00Q 1.408(8) . ?
C00I C00L 1.391(10) . ?
C00I C017 1.434(9) . ?
C00J C00S 1.368(9) . ?
C00K H00K 0.9300 . ?
C00K C00Y 1.368(9) . ?
C00L C01A 1.421(9) . ?
C00M H00M 0.9300 . ?
C00M C014 1.385(9) . ?
C00N H00N 0.9300 . ?
C00N C00P 1.392(9) . ?
C00O C00T 1.435(9) . ?
C00O C00V 1.395(9) . ?
C00P H00P 0.9300 . ?
C00P C013 1.383(11) . ?
C00Q H00Q 0.9300 . ?
C00Q C00R 1.361(9) . ?
C00R H00R 0.9300 . ?
C00R C00Y 1.388(9) . ?
C00S H00S 0.9300 . ?
C00S C00X 1.369(11) . ?
C00T C015 1.395(9) . ?
C00U H00A 0.9700 . ?
C00U H00B 0.9700 . ?
C00U C018 1.535(9) . ?
C00V H00V 0.9300 . ?
C00V C013 1.340(10) . ?
C00W H00W 0.9300 . ?
C00W C00Z 1.408(9) . ?
C00X H00X 0.9300 . ?
C00X C014 1.379(10) . ?
C00Y H00Y 0.9300 . ?
C00Z H00Z 0.9300 . ?
C00Z C016 1.364(10) . ?
C010 H01A 0.9700 . ?
C010 H01B 0.9700 . ?
C010 C019 1.517(10) . ?
C011 H011 0.9300 . ?
C011 C016 1.376(11) . ?
C012 H012 0.9300 . ?
C012 C01B 1.413(12) . ?
C013 H013 0.9300 . ?
C014 H014 0.9300 . ?
C015 H015 0.9300 . ?
C015 C01D 1.381(12) . ?
C016 H016 0.9300 . ?
C017 H017 0.9300 . ?
C017 C01C 1.377(13) . ?
C018 H01C 0.9700 . ?
C018 H01D 0.9700 . ?
C018 C019 1.499(10) . ?
C019 H01E 0.9700 . ?
C019 H01F 0.9700 . ?
C01A H01G 0.9300 . ?
C01A C01E 1.347(11) . ?
C01B H01H 0.9300 . ?
C01B C01D 1.374(13) . ?
C01C H01I 0.9300 . ?
C01C C01E 1.416(14) . ?
C01D H01J 0.9300 . ?
C01E H01K 0.9300 . ?

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
N006 Pt01 O003 90.99(17) . . ?
N006 Pt01 N007 169.00(19) . . ?
N007 Pt01 O003 89.14(18) . . ?
C00B Pt01 O003 166.2(2) . . ?
C00B Pt01 N006 100.5(2) . . ?
C00B Pt01 N007 81.0(2) . . ?
N004 Pt02 O005 91.26(19) . . ?
N004 Pt02 N008 170.01(19) . . ?
N008 Pt02 O005 89.9(2) . . ?
C00E Pt02 N004 100.1(2) . . ?
C00E Pt02 O005 165.1(2) . . ?
C00E Pt02 N008 80.6(2) . . ?
C00A O003 Pt01 125.4(4) . . ?
C009 N004 Pt02 122.7(4) . . ?
C009 N004 C00F 116.1(5) . . ?
C00F N004 Pt02 119.8(4) . . ?
C00I O005 Pt02 124.3(4) . . ?
C00C N006 Pt01 122.9(4) . . ?
C00C N006 C00D 115.9(5) . . ?
C00D N006 Pt01 118.9(3) . . ?
C00J N007 Pt01 116.5(4) . . ?
C00M N007 Pt01 122.4(4) . . ?
C00M N007 C00J 120.4(5) . . ?
C00T N008 Pt02 115.2(4) . . ?
C012 N008 Pt02 122.8(5) . . ?
C012 N008 C00T 121.5(6) . . ?
N004 C009 H009 115.5 . . ?
N004 C009 C00L 129.1(6) . . ?
C00L C009 H009 115.5 . . ?
O003 C00A C00H 124.6(5) . . ?
O003 C00A C00K 118.6(5) . . ?
C00K C00A C00H 116.8(5) . . ?
C00G C00B Pt01 113.6(5) . . ?
C00W C00B Pt01 130.0(5) . . ?
C00W C00B C00G 115.8(6) . . ?
N006 C00C H00C 115.3 . . ?
N006 C00C C00H 129.3(5) . . ?
C00H C00C H00C 115.3 . . ?
N006 C00D H00D 107.4 . . ?
N006 C00D C00F 110.6(4) . . ?
N006 C00D C00U 114.0(5) . . ?
C00F C00D H00D 107.4 . . ?
C00F C00D C00U 109.7(5) . . ?
C00U C00D H00D 107.4 . . ?
C00N C00E Pt02 130.0(5) . . ?
C00N C00E C00O 115.7(6) . . ?
C00O C00E Pt02 113.5(5) . . ?
N004 C00F C00D 112.6(4) . . ?
N004 C00F H00F 106.8 . . ?
N004 C00F C010 113.2(5) . . ?
C00D C00F H00F 106.8 . . ?
C010 C00F C00D 110.2(5) . . ?
C010 C00F H00F 106.8 . . ?
C00B C00G C00J 115.6(5) . . ?
C011 C00G C00B 122.3(7) . . ?
C011 C00G C00J 122.1(6) . . ?
C00A C00H C00C 122.6(5) . . ?
C00Q C00H C00A 119.5(6) . . ?
C00Q C00H C00C 116.8(5) . . ?
O005 C00I C00L 124.9(6) . . ?
O005 C00I C017 117.4(7) . . ?
C00L C00I C017 117.7(7) . . ?
N007 C00J C00G 112.8(5) . . ?
N007 C00J C00S 119.3(7) . . ?
C00S C00J C00G 127.9(6) . . ?
C00A C00K H00K 118.9 . . ?
C00Y C00K C00A 122.2(6) . . ?
C00Y C00K H00K 118.9 . . ?
C00I C00L C009 124.1(6) . . ?
C00I C00L C01A 119.9(6) . . ?
C01A C00L C009 115.9(7) . . ?
N007 C00M H00M 119.2 . . ?
N007 C00M C014 121.7(7) . . ?
C014 C00M H00M 119.2 . . ?
C00E C00N H00N 118.3 . . ?
C00E C00N C00P 123.4(6) . . ?
C00P C00N H00N 118.3 . . ?
C00E C00O C00T 115.3(6) . . ?
C00V C00O C00E 120.6(6) . . ?
C00V C00O C00T 123.6(6) . . ?
C00N C00P H00P 121.0 . . ?
C013 C00P C00N 118.1(7) . . ?
C013 C00P H00P 121.0 . . ?
C00H C00Q H00Q 119.1 . . ?
C00R C00Q C00H 121.7(6) . . ?
C00R C00Q H00Q 119.1 . . ?
C00Q C00R H00R 120.3 . . ?
C00Q C00R C00Y 119.4(6) . . ?
C00Y C00R H00R 120.3 . . ?
C00J C00S H00S 119.6 . . ?
C00J C00S C00X 120.8(7) . . ?
C00X C00S H00S 119.6 . . ?
N008 C00T C00O 113.8(6) . . ?
N008 C00T C015 120.2(7) . . ?
C015 C00T C00O 125.9(7) . . ?
C00D C00U H00A 109.5 . . ?
C00D C00U H00B 109.5 . . ?
H00A C00U H00B 108.1 . . ?
C018 C00U C00D 110.5(5) . . ?
C018 C00U H00A 109.5 . . ?
C018 C00U H00B 109.5 . . ?
C00O C00V H00V 119.5 . . ?
C013 C00V C00O 120.9(7) . . ?
C013 C00V H00V 119.5 . . ?
C00B C00W H00W 119.1 . . ?
C00B C00W C00Z 121.8(7) . . ?
C00Z C00W H00W 119.1 . . ?
C00S C00X H00X 120.1 . . ?
C00S C00X C014 119.8(7) . . ?
C014 C00X H00X 120.1 . . ?
C00K C00Y C00R 120.3(6) . . ?
C00K C00Y H00Y 119.8 . . ?
C00R C00Y H00Y 119.8 . . ?
C00W C00Z H00Z 119.8 . . ?
C016 C00Z C00W 120.3(7) . . ?
C016 C00Z H00Z 119.8 . . ?
C00F C010 H01A 109.5 . . ?
C00F C010 H01B 109.5 . . ?
H01A C010 H01B 108.0 . . ?
C019 C010 C00F 110.9(5) . . ?
C019 C010 H01A 109.5 . . ?
C019 C010 H01B 109.5 . . ?
C00G C011 H011 120.4 . . ?
C016 C011 C00G 119.3(7) . . ?
C016 C011 H011 120.4 . . ?
N008 C012 H012 120.5 . . ?
N008 C012 C01B 119.1(9) . . ?
C01B C012 H012 120.5 . . ?
C00P C013 H013 119.5 . . ?
C00V C013 C00P 121.1(7) . . ?
C00V C013 H013 119.5 . . ?
C00M C014 H014 121.0 . . ?
C00X C014 C00M 118.0(7) . . ?
C00X C014 H014 121.0 . . ?
C00T C015 H015 120.5 . . ?
C01D C015 C00T 118.9(8) . . ?
C01D C015 H015 120.5 . . ?
C00Z C016 C011 120.3(7) . . ?
C00Z C016 H016 119.9 . . ?
C011 C016 H016 119.9 . . ?
C00I C017 H017 119.8 . . ?
C01C C017 C00I 120.4(9) . . ?
C01C C017 H017 119.8 . . ?
C00U C018 H01C 109.3 . . ?
C00U C018 H01D 109.3 . . ?
H01C C018 H01D 108.0 . . ?
C019 C018 C00U 111.5(5) . . ?
C019 C018 H01C 109.3 . . ?
C019 C018 H01D 109.3 . . ?
C010 C019 H01E 109.4 . . ?
C010 C019 H01F 109.4 . . ?
C018 C019 C010 111.1(6) . . ?
C018 C019 H01E 109.4 . . ?
C018 C019 H01F 109.4 . . ?
H01E C019 H01F 108.0 . . ?
C00L C01A H01G 118.8 . . ?
C01E C01A C00L 122.4(9) . . ?
C01E C01A H01G 118.8 . . ?
C012 C01B H01H 120.2 . . ?
C01D C01B C012 119.6(8) . . ?
C01D C01B H01H 120.2 . . ?
C017 C01C H01I 119.3 . . ?
C017 C01C C01E 121.4(7) . . ?
C01E C01C H01I 119.3 . . ?
C015 C01D H01J 119.7 . . ?
C01B C01D C015 120.6(8) . . ?
C01B C01D H01J 119.7 . . ?
C01A C01E C01C 118.1(9) . . ?
C01A C01E H01K 121.0 . . ?
C01C C01E H01K 121.0 . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_date_sample_data_collection 2016-09-26
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_zxg-s-cy-mo
_database_code_depnum_ccdc_archive 'CCDC 1589685'
loop_
_audit_author_name
_audit_author_address
'Haifeng Xiang' ??'f?ffb
_audit_update_record             
;
2017-12-07 deposited with the CCDC.	2019-04-18 downloaded from the CCDC.
;
_audit_creation_date             2016-09-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H36 N4 O2 Pt2, C H2 Cl2'
_chemical_formula_sum            'C43 H38 Cl2 N4 O2 Pt2'
_chemical_formula_weight         1103.85
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'

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

_cell_length_a                   11.0565(5)
_cell_length_b                   16.7748(6)
_cell_length_c                   20.3659(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3777.3(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4758
_cell_measurement_temperature    294.0(2)
_cell_measurement_theta_max      26.9960
_cell_measurement_theta_min      3.7230
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.584
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.42018
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear reddish red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.941
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_av_unetI/netI     0.0594
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11004
_diffrn_reflns_point_group_measured_fraction_full 0.953
_diffrn_reflns_point_group_measured_fraction_max 0.953
_diffrn_reflns_theta_full        24.401
_diffrn_reflns_theta_max         24.401
_diffrn_reflns_theta_min         3.522
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      294.0(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9595
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -25.00  108.00   1.0000    7.9100
omega____ theta____ kappa____ phi______ frames
    -       26.3202   38.0000  150.0000 133

#__ type_ start__ end____ width___ exp.time_
  2 omega  -20.00   57.00   1.0000    7.9100
omega____ theta____ kappa____ phi______ frames
    -       26.3202  -99.0000  -90.0000 77

#__ type_ start__ end____ width___ exp.time_
  3 omega  -18.00    8.00   1.0000    7.9100
omega____ theta____ kappa____ phi______ frames
    -      -27.3358  -99.0000  120.0000 26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Gemini, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0094812000
_diffrn_orient_matrix_UB_12      -0.0096404000
_diffrn_orient_matrix_UB_13      -0.0335083000
_diffrn_orient_matrix_UB_21      -0.0172098000
_diffrn_orient_matrix_UB_22      -0.0391877000
_diffrn_orient_matrix_UB_23      0.0091125000
_diffrn_orient_matrix_UB_31      -0.0610928000
_diffrn_orient_matrix_UB_32      0.0125744000
_diffrn_orient_matrix_UB_33      0.0026627000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.703
_reflns_Friedel_fraction_full    0.898
_reflns_Friedel_fraction_max     0.898
_reflns_number_gt                5512
_reflns_number_total             5923
_reflns_odcompleteness_completeness 99.56
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.532
_refine_diff_density_min         -1.069
_refine_diff_density_rms         0.126
_refine_ls_abs_structure_details 
;
 Flack x determined using 2101 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.024(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         5923
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0362
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0324P)²+1.0397P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0807
_refine_ls_wR_factor_ref         0.0840
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00J(H00J), C00N(H00N)
2.b Secondary CH2 refined with riding coordinates:
 C00S(H00A,H00B), C00X(H00C,H00F), C010(H01A,H01B), C015(H01C,H01D), C8(H8A,H8B)
2.c Aromatic/amide H refined with riding coordinates:
 C00D(H00D), C00E(H00E), C00K(H00K), C00O(H00O), C00P(H00P), C00Q(H00Q),
 C00U(H00U), C00V(H00V), C00W(H00W), C00Y(H00Y), C00Z(H00Z), C011(H011),
 C012(H012), C013(H013), C014(H014), C016(H016), C017(H017), C018(H018),
 C019(H019), C01A(H01E), C01B(H01F), C01C(H01G), C01D(H01H), C01E(H01I),
 C01F(H01J), C01G(H01K)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.52416(4) 0.57693(3) 0.52329(2) 0.03218(15) Uani 1 1 d . . . . .
Pt02 Pt 0.19449(5) 0.44205(3) 0.45979(3) 0.03777(16) Uani 1 1 d . . . . .
Cl00 Cl 0.2705(5) 0.1626(3) 0.6144(3) 0.0930(18) Uani 1 1 d . . . . .
O004 O 0.5298(9) 0.5041(5) 0.4415(5) 0.043(2) Uani 1 1 d . . . . .
O005 O 0.3306(11) 0.3697(6) 0.4901(6) 0.064(3) Uani 1 1 d . . . . .
N006 N 0.3683(9) 0.6262(6) 0.4890(6) 0.034(3) Uani 1 1 d . . . . .
N007 N 0.2107(9) 0.5104(6) 0.5414(6) 0.034(3) Uani 1 1 d . . . . .
C008 C 0.6653(10) 0.5178(7) 0.5637(6) 0.020(3) Uani 1 1 d . . . . .
N009 N 0.5550(11) 0.6475(8) 0.6001(7) 0.054(4) Uani 1 1 d . . . . .
N00A N 0.1981(10) 0.3869(6) 0.3729(6) 0.039(3) Uani 1 1 d . . . . .
Cl1 Cl 0.0919(7) 0.2789(5) 0.6438(7) 0.199(5) Uani 1 1 d . . . . .
C00C C 0.3935(12) 0.5802(9) 0.3766(7) 0.040(3) Uani 1 1 d . . . . .
C00D C -0.1441(12) 0.5582(9) 0.4108(8) 0.051(4) Uani 1 1 d . . . . .
H00D H -0.2054 0.5870 0.4312 0.061 Uiso 1 1 calc R . . . .
C00E C 0.3347(13) 0.6218(8) 0.4304(7) 0.040(4) Uani 1 1 d . . . . .
H00E H 0.2634 0.6484 0.4201 0.048 Uiso 1 1 calc R . . . .
C00F C 0.4830(13) 0.5191(9) 0.3857(7) 0.045(4) Uani 1 1 d . . . . .
C00G C 0.7001(12) 0.5426(8) 0.6221(8) 0.046(4) Uani 1 1 d . . . . .
C00H C 0.0309(14) 0.4696(8) 0.3527(7) 0.039(3) Uani 1 1 d . . . . .
C00I C 0.0466(12) 0.4909(8) 0.4185(7) 0.036(3) Uani 1 1 d . . . . .
C00J C 0.1688(11) 0.5943(7) 0.5388(7) 0.035(3) Uani 1 1 d . . . . .
H00J H 0.1219 0.6016 0.4984 0.042 Uiso 1 1 calc R . . . .
C00K C 0.2807(12) 0.4928(8) 0.5891(7) 0.041(4) Uani 1 1 d . . . . .
H00K H 0.2817 0.5299 0.6230 0.049 Uiso 1 1 calc R . . . .
C00L C 0.3598(13) 0.4238(8) 0.5993(7) 0.040(3) Uani 1 1 d . . . . .
C00M C 0.3818(13) 0.3681(8) 0.5490(8) 0.042(4) Uani 1 1 d . . . . .
C00N C 0.2748(11) 0.6534(7) 0.5377(7) 0.033(3) Uani 1 1 d . . . . .
H00N H 0.3122 0.6533 0.5814 0.039 Uiso 1 1 calc R . . . .
C00O C -0.0479(12) 0.5347(8) 0.4463(8) 0.048(4) Uani 1 1 d . . . . .
H00O H -0.0442 0.5479 0.4906 0.058 Uiso 1 1 calc R . . . .
C00P C 0.7104(12) 0.4528(8) 0.5384(8) 0.050(4) Uani 1 1 d . . . . .
H00P H 0.6815 0.4357 0.4979 0.060 Uiso 1 1 calc R . . . .
C00Q C 0.5131(13) 0.4747(8) 0.3308(7) 0.043(4) Uani 1 1 d . . . . .
H00Q H 0.5706 0.4346 0.3355 0.051 Uiso 1 1 calc R . . . .
C00R C 0.6476(12) 0.6170(8) 0.6426(7) 0.038(3) Uani 1 1 d . . . . .
C00S C 0.1400(14) 0.7615(9) 0.5808(7) 0.048(4) Uani 1 1 d . . . . .
H00A H 0.1861 0.7653 0.6212 0.058 Uiso 1 1 calc R . . . .
H00B H 0.1055 0.8135 0.5718 0.058 Uiso 1 1 calc R . . . .
C00T C 0.1181(13) 0.4098(9) 0.3272(8) 0.046(4) Uani 1 1 d . . . . .
C00U C 0.5522(14) 0.7671(9) 0.6679(8) 0.050(4) Uani 1 1 d . . . . .
H00U H 0.5220 0.8179 0.6759 0.060 Uiso 1 1 calc R . . . .
C00V C 0.5122(12) 0.7242(7) 0.6124(8) 0.041(3) Uani 1 1 d . . . . .
H00V H 0.4568 0.7474 0.5838 0.049 Uiso 1 1 calc R . . . .
C00W C 0.2836(14) 0.3316(9) 0.3554(9) 0.054(4) Uani 1 1 d . . . . .
H00W H 0.3404 0.3160 0.3866 0.065 Uiso 1 1 calc R . . . .
C00X C 0.2243(12) 0.7380(7) 0.5247(7) 0.038(3) Uani 1 1 d . . . . .
H00C H 0.2904 0.7759 0.5216 0.045 Uiso 1 1 calc R . . . .
H00F H 0.1804 0.7387 0.4835 0.045 Uiso 1 1 calc R . . . .
C00Y C 0.4208(13) 0.4199(9) 0.6588(8) 0.051(4) Uani 1 1 d . . . . .
H00Y H 0.4053 0.4578 0.6910 0.061 Uiso 1 1 calc R . . . .
C00Z C 0.7880(13) 0.4999(10) 0.6574(9) 0.058(5) Uani 1 1 d . . . . .
H00Z H 0.8128 0.5176 0.6985 0.070 Uiso 1 1 calc R . . . .
C010 C 0.0876(13) 0.6167(9) 0.5974(8) 0.045(4) Uani 1 1 d . . . . .
H01A H 0.0204 0.5796 0.6002 0.054 Uiso 1 1 calc R . . . .
H01B H 0.1337 0.6128 0.6378 0.054 Uiso 1 1 calc R . . . .
C011 C 0.2887(17) 0.2989(10) 0.2946(9) 0.062(5) Uani 1 1 d . . . . .
H011 H 0.3489 0.2622 0.2845 0.074 Uiso 1 1 calc R . . . .
C012 C -0.1542(15) 0.5407(9) 0.3445(9) 0.058(5) Uani 1 1 d . . . . .
H012 H -0.2192 0.5599 0.3202 0.070 Uiso 1 1 calc R . . . .
C013 C 0.6832(13) 0.6630(10) 0.6978(7) 0.049(4) Uani 1 1 d . . . . .
H013 H 0.7417 0.6428 0.7261 0.059 Uiso 1 1 calc R . . . .
C014 C 0.5247(17) 0.3049(10) 0.6231(10) 0.067(5) Uani 1 1 d . . . . .
H014 H 0.5796 0.2640 0.6310 0.080 Uiso 1 1 calc R . . . .
C015 C 0.0393(13) 0.7016(9) 0.5896(8) 0.051(4) Uani 1 1 d . . . . .
H01C H -0.0140 0.7037 0.5518 0.061 Uiso 1 1 calc R . . . .
H01D H -0.0077 0.7157 0.6281 0.061 Uiso 1 1 calc R . . . .
C016 C 0.3434(14) 0.5905(11) 0.3138(8) 0.059(5) Uani 1 1 d . . . . .
H016 H 0.2840 0.6290 0.3074 0.071 Uiso 1 1 calc R . . . .
C017 C 0.2039(15) 0.3203(9) 0.2473(9) 0.058(4) Uani 1 1 d . . . . .
H017 H 0.2045 0.2975 0.2057 0.069 Uiso 1 1 calc R . . . .
C018 C 0.5047(16) 0.3600(10) 0.6708(9) 0.066(5) Uani 1 1 d . . . . .
H018 H 0.5462 0.3578 0.7104 0.080 Uiso 1 1 calc R . . . .
C019 C 0.4646(15) 0.4861(10) 0.2714(8) 0.054(4) Uani 1 1 d . . . . .
H019 H 0.4879 0.4539 0.2365 0.064 Uiso 1 1 calc R . . . .
C01A C -0.0681(14) 0.4953(8) 0.3157(8) 0.049(4) Uani 1 1 d . . . . .
H01E H -0.0748 0.4814 0.2716 0.059 Uiso 1 1 calc R . . . .
C01B C 0.6349(16) 0.7346(10) 0.7103(8) 0.054(4) Uani 1 1 d . . . . .
H01F H 0.6576 0.7624 0.7479 0.065 Uiso 1 1 calc R . . . .
C01C C 0.8366(15) 0.4328(10) 0.6312(10) 0.069(5) Uani 1 1 d . . . . .
H01G H 0.8939 0.4037 0.6545 0.083 Uiso 1 1 calc R . . . .
C01D C 0.1187(15) 0.3770(10) 0.2645(8) 0.053(4) Uani 1 1 d . . . . .
H01H H 0.0614 0.3933 0.2339 0.064 Uiso 1 1 calc R . . . .
C01E C 0.4658(15) 0.3080(9) 0.5633(9) 0.061(5) Uani 1 1 d . . . . .
H01I H 0.4823 0.2693 0.5319 0.073 Uiso 1 1 calc R . . . .
C01F C 0.7996(16) 0.4081(10) 0.5692(9) 0.066(5) Uani 1 1 d . . . . .
H01J H 0.8332 0.3634 0.5491 0.079 Uiso 1 1 calc R . . . .
C01G C 0.3805(15) 0.5449(12) 0.2620(8) 0.065(5) Uani 1 1 d . . . . .
H01K H 0.3487 0.5539 0.2203 0.077 Uiso 1 1 calc R . . . .
C8 C 0.156(2) 0.2212(13) 0.5810(11) 0.099(8) Uani 1 1 d . . . . .
H8A H 0.0952 0.1876 0.5611 0.119 Uiso 1 1 calc R . . . .
H8B H 0.1896 0.2557 0.5473 0.119 Uiso 1 1 calc R . . . .


_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
Pt01 O004 2.067(9) . ?
Pt01 N006 2.035(10) . ?
Pt01 C008 2.024(11) . ?
Pt01 N009 1.991(14) . ?
Pt02 O005 2.029(13) . ?
Pt02 N007 2.027(11) . ?
Pt02 N00A 1.998(12) . ?
Pt02 C00I 2.013(14) . ?
Cl00 C8 1.74(2) . ?
O004 C00F 1.273(17) . ?
O005 C00M 1.326(18) . ?
N006 C00E 1.251(17) . ?
N006 C00N 1.505(16) . ?
N007 C00J 1.483(14) . ?
N007 C00K 1.277(17) . ?
C008 C00G 1.317(19) . ?
C008 C00P 1.305(17) . ?
N009 C00R 1.436(18) . ?
N009 C00V 1.394(17) . ?
N00A C00T 1.339(18) . ?
N00A C00W 1.370(18) . ?
Cl1 C8 1.76(2) . ?
C00C C00E 1.452(19) . ?
C00C C00F 1.438(19) . ?
C00C C016 1.40(2) . ?
C00D H00D 0.9300 . ?
C00D C00O 1.345(19) . ?
C00D C012 1.39(2) . ?
C00E H00E 0.9300 . ?
C00F C00Q 1.384(19) . ?
C00G C00R 1.439(19) . ?
C00G C00Z 1.41(2) . ?
C00H C00I 1.399(19) . ?
C00H C00T 1.48(2) . ?
C00H C01A 1.40(2) . ?
C00I C00O 1.396(18) . ?
C00J H00J 0.9800 . ?
C00J C00N 1.534(16) . ?
C00J C010 1.541(19) . ?
C00K H00K 0.9300 . ?
C00K C00L 1.466(19) . ?
C00L C00M 1.41(2) . ?
C00L C00Y 1.389(19) . ?
C00M C01E 1.40(2) . ?
C00N H00N 0.9800 . ?
C00N C00X 1.549(16) . ?
C00O H00O 0.9300 . ?
C00P H00P 0.9300 . ?
C00P C01F 1.39(2) . ?
C00Q H00Q 0.9300 . ?
C00Q C019 1.34(2) . ?
C00R C013 1.42(2) . ?
C00S H00A 0.9700 . ?
C00S H00B 0.9700 . ?
C00S C00X 1.526(19) . ?
C00S C015 1.51(2) . ?
C00T C01D 1.39(2) . ?
C00U H00U 0.9300 . ?
C00U C00V 1.41(2) . ?
C00U C01B 1.37(2) . ?
C00V H00V 0.9300 . ?
C00W H00W 0.9300 . ?
C00W C011 1.36(2) . ?
C00X H00C 0.9700 . ?
C00X H00F 0.9700 . ?
C00Y H00Y 0.9300 . ?
C00Y C018 1.39(2) . ?
C00Z H00Z 0.9300 . ?
C00Z C01C 1.36(2) . ?
C010 H01A 0.9700 . ?
C010 H01B 0.9700 . ?
C010 C015 1.530(19) . ?
C011 H011 0.9300 . ?
C011 C017 1.39(2) . ?
C012 H012 0.9300 . ?
C012 C01A 1.35(2) . ?
C013 H013 0.9300 . ?
C013 C01B 1.34(2) . ?
C014 H014 0.9300 . ?
C014 C018 1.36(2) . ?
C014 C01E 1.38(2) . ?
C015 H01C 0.9700 . ?
C015 H01D 0.9700 . ?
C016 H016 0.9300 . ?
C016 C01G 1.37(2) . ?
C017 H017 0.9300 . ?
C017 C01D 1.38(2) . ?
C018 H018 0.9300 . ?
C019 H019 0.9300 . ?
C019 C01G 1.37(2) . ?
C01A H01E 0.9300 . ?
C01B H01F 0.9300 . ?
C01C H01G 0.9300 . ?
C01C C01F 1.39(2) . ?
C01D H01H 0.9300 . ?
C01E H01I 0.9300 . ?
C01F H01J 0.9300 . ?
C01G H01K 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?

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
N006 Pt01 O004 89.3(4) . . ?
C008 Pt01 O004 90.9(4) . . ?
C008 Pt01 N006 172.6(4) . . ?
N009 Pt01 O004 168.4(5) . . ?
N009 Pt01 N006 100.0(5) . . ?
N009 Pt01 C008 80.8(5) . . ?
N007 Pt02 O005 91.3(4) . . ?
N00A Pt02 O005 88.7(5) . . ?
N00A Pt02 N007 170.6(4) . . ?
N00A Pt02 C00I 80.5(5) . . ?
C00I Pt02 O005 166.6(5) . . ?
C00I Pt02 N007 100.6(5) . . ?
C00F O004 Pt01 126.2(9) . . ?
C00M O005 Pt02 127.2(9) . . ?
C00E N006 Pt01 123.7(10) . . ?
C00E N006 C00N 116.3(11) . . ?
C00N N006 Pt01 118.6(8) . . ?
C00J N007 Pt02 118.7(9) . . ?
C00K N007 Pt02 123.1(9) . . ?
C00K N007 C00J 115.9(12) . . ?
C00G C008 Pt01 115.9(9) . . ?
C00P C008 Pt01 122.9(10) . . ?
C00P C008 C00G 120.6(13) . . ?
C00R N009 Pt01 112.6(10) . . ?
C00V N009 Pt01 129.2(10) . . ?
C00V N009 C00R 117.5(13) . . ?
C00T N00A Pt02 117.9(10) . . ?
C00T N00A C00W 118.0(14) . . ?
C00W N00A Pt02 123.8(11) . . ?
C00F C00C C00E 123.6(13) . . ?
C016 C00C C00E 116.9(13) . . ?
C016 C00C C00F 118.5(14) . . ?
C00O C00D H00D 119.2 . . ?
C00O C00D C012 121.7(16) . . ?
C012 C00D H00D 119.2 . . ?
N006 C00E C00C 127.9(14) . . ?
N006 C00E H00E 116.0 . . ?
C00C C00E H00E 116.0 . . ?
O004 C00F C00C 122.4(13) . . ?
O004 C00F C00Q 121.1(14) . . ?
C00Q C00F C00C 116.5(13) . . ?
C008 C00G C00R 114.7(13) . . ?
C008 C00G C00Z 120.2(15) . . ?
C00Z C00G C00R 125.0(16) . . ?
C00I C00H C00T 115.3(13) . . ?
C00I C00H C01A 122.3(15) . . ?
C01A C00H C00T 121.9(14) . . ?
C00H C00I Pt02 113.4(11) . . ?
C00O C00I Pt02 130.8(11) . . ?
C00O C00I C00H 115.4(14) . . ?
N007 C00J H00J 108.2 . . ?
N007 C00J C00N 112.0(10) . . ?
N007 C00J C010 112.6(11) . . ?
C00N C00J H00J 108.2 . . ?
C00N C00J C010 107.4(11) . . ?
C010 C00J H00J 108.2 . . ?
N007 C00K H00K 114.7 . . ?
N007 C00K C00L 130.7(14) . . ?
C00L C00K H00K 114.7 . . ?
C00M C00L C00K 121.7(13) . . ?
C00Y C00L C00K 116.7(14) . . ?
C00Y C00L C00M 121.3(14) . . ?
O005 C00M C00L 124.8(13) . . ?
O005 C00M C01E 119.1(15) . . ?
C01E C00M C00L 116.1(15) . . ?
N006 C00N C00J 109.8(10) . . ?
N006 C00N H00N 108.0 . . ?
N006 C00N C00X 114.4(10) . . ?
C00J C00N H00N 108.0 . . ?
C00J C00N C00X 108.6(10) . . ?
C00X C00N H00N 108.0 . . ?
C00D C00O C00I 121.9(16) . . ?
C00D C00O H00O 119.0 . . ?
C00I C00O H00O 119.0 . . ?
C008 C00P H00P 118.5 . . ?
C008 C00P C01F 123.0(16) . . ?
C01F C00P H00P 118.5 . . ?
C00F C00Q H00Q 118.1 . . ?
C019 C00Q C00F 123.8(14) . . ?
C019 C00Q H00Q 118.1 . . ?
N009 C00R C00G 114.9(13) . . ?
C013 C00R N009 118.9(13) . . ?
C013 C00R C00G 126.1(14) . . ?
H00A C00S H00B 108.0 . . ?
C00X C00S H00A 109.3 . . ?
C00X C00S H00B 109.3 . . ?
C015 C00S H00A 109.3 . . ?
C015 C00S H00B 109.3 . . ?
C015 C00S C00X 111.5(12) . . ?
N00A C00T C00H 112.4(13) . . ?
N00A C00T C01D 121.4(15) . . ?
C01D C00T C00H 126.2(14) . . ?
C00V C00U H00U 119.6 . . ?
C01B C00U H00U 119.6 . . ?
C01B C00U C00V 120.8(15) . . ?
N009 C00V C00U 120.6(14) . . ?
N009 C00V H00V 119.7 . . ?
C00U C00V H00V 119.7 . . ?
N00A C00W H00W 118.7 . . ?
C011 C00W N00A 122.6(16) . . ?
C011 C00W H00W 118.7 . . ?
C00N C00X H00C 109.8 . . ?
C00N C00X H00F 109.8 . . ?
C00S C00X C00N 109.2(11) . . ?
C00S C00X H00C 109.8 . . ?
C00S C00X H00F 109.8 . . ?
H00C C00X H00F 108.3 . . ?
C00L C00Y H00Y 119.6 . . ?
C018 C00Y C00L 120.8(16) . . ?
C018 C00Y H00Y 119.6 . . ?
C00G C00Z H00Z 120.1 . . ?
C01C C00Z C00G 119.8(17) . . ?
C01C C00Z H00Z 120.1 . . ?
C00J C010 H01A 109.6 . . ?
C00J C010 H01B 109.6 . . ?
H01A C010 H01B 108.1 . . ?
C015 C010 C00J 110.4(12) . . ?
C015 C010 H01A 109.6 . . ?
C015 C010 H01B 109.6 . . ?
C00W C011 H011 120.0 . . ?
C00W C011 C017 120.0(17) . . ?
C017 C011 H011 120.0 . . ?
C00D C012 H012 120.5 . . ?
C01A C012 C00D 119.0(16) . . ?
C01A C012 H012 120.5 . . ?
C00R C013 H013 119.1 . . ?
C01B C013 C00R 121.8(14) . . ?
C01B C013 H013 119.1 . . ?
C018 C014 H014 119.1 . . ?
C018 C014 C01E 121.8(16) . . ?
C01E C014 H014 119.1 . . ?
C00S C015 C010 112.0(11) . . ?
C00S C015 H01C 109.2 . . ?
C00S C015 H01D 109.2 . . ?
C010 C015 H01C 109.2 . . ?
C010 C015 H01D 109.2 . . ?
H01C C015 H01D 107.9 . . ?
C00C C016 H016 119.5 . . ?
C01G C016 C00C 121.1(16) . . ?
C01G C016 H016 119.5 . . ?
C011 C017 H017 121.3 . . ?
C01D C017 C011 117.4(16) . . ?
C01D C017 H017 121.3 . . ?
C00Y C018 H018 120.8 . . ?
C014 C018 C00Y 118.4(16) . . ?
C014 C018 H018 120.8 . . ?
C00Q C019 H019 119.9 . . ?
C00Q C019 C01G 120.2(15) . . ?
C01G C019 H019 119.9 . . ?
C00H C01A H01E 120.3 . . ?
C012 C01A C00H 119.4(16) . . ?
C012 C01A H01E 120.3 . . ?
C00U C01B H01F 119.9 . . ?
C013 C01B C00U 120.2(16) . . ?
C013 C01B H01F 119.9 . . ?
C00Z C01C H01G 120.4 . . ?
C00Z C01C C01F 119.2(16) . . ?
C01F C01C H01G 120.4 . . ?
C00T C01D H01H 119.7 . . ?
C017 C01D C00T 120.5(16) . . ?
C017 C01D H01H 119.7 . . ?
C00M C01E H01I 119.3 . . ?
C014 C01E C00M 121.5(16) . . ?
C014 C01E H01I 119.3 . . ?
C00P C01F C01C 117.2(16) . . ?
C00P C01F H01J 121.4 . . ?
C01C C01F H01J 121.4 . . ?
C016 C01G C019 119.9(16) . . ?
C016 C01G H01K 120.1 . . ?
C019 C01G H01K 120.1 . . ?
Cl00 C8 Cl1 108.8(13) . . ?
Cl00 C8 H8A 109.9 . . ?
Cl00 C8 H8B 109.9 . . ?
Cl1 C8 H8A 109.9 . . ?
Cl1 C8 H8B 109.9 . . ?
H8A C8 H8B 108.3 . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_date_sample_data_collection 2016-09-20
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_160623_s1_gf
_database_code_depnum_ccdc_archive 'CCDC 1589703'
loop_
_audit_author_name
_audit_author_address
'Haifeng Xiang' ??'f?ffb
_audit_update_record             
;
2017-12-07 deposited with the CCDC.	2019-04-18 downloaded from the CCDC.
;
_audit_creation_date             2016-06-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C42 H28 Cl2 N4 O2 Pt2'
_chemical_formula_sum            'C42 H28 Cl2 N4 O2 Pt2'
_chemical_formula_weight         1081.76
_chemical_melting_point          ?
_chemical_oxdiff_formula         c12h12n2o3cl1pt1
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'
Cl Cl 0.1484 0.1585 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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'

_cell_length_a                   9.6783(5)
_cell_length_b                   18.7346(11)
_cell_length_c                   19.5011(10)
_cell_angle_alpha                90
_cell_angle_beta                 100.777(5)
_cell_angle_gamma                90
_cell_volume                     3473.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6137
_cell_measurement_temperature    143.00(10)
_cell_measurement_theta_max      29.1790
_cell_measurement_theta_min      3.3560
_shelx_estimated_absorpt_T_max   0.191
_shelx_estimated_absorpt_T_min   0.137
_exptl_absorpt_coefficient_mu    8.245
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.25790
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.069
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.3
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_unetI/netI     0.0506
_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       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            15355
_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         26.372
_diffrn_reflns_theta_min         3.042
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      143.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0874
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    7.00   69.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       16.6856   57.0000   60.0000 62

#__ type_ start__ end____ width___ exp.time_
  2 omega  -10.00   77.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       16.6856   77.0000  -60.0000 87

#__ type_ start__ end____ width___ exp.time_
  3 omega  -19.00   18.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      -14.9669  -99.0000 -180.0000 37

#__ type_ start__ end____ width___ exp.time_
  4 omega  -83.00  -57.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      -14.9669  -38.0000 -150.0000 26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0275690000
_diffrn_orient_matrix_UB_12      0.0273937000
_diffrn_orient_matrix_UB_13      -0.0238674000
_diffrn_orient_matrix_UB_21      -0.0528020000
_diffrn_orient_matrix_UB_22      -0.0237195000
_diffrn_orient_matrix_UB_23      -0.0167033000
_diffrn_orient_matrix_UB_31      -0.0447859000
_diffrn_orient_matrix_UB_32      0.0111520000
_diffrn_orient_matrix_UB_33      0.0228380000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5734
_reflns_number_total             7085
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.030
_refine_diff_density_min         -1.104
_refine_diff_density_rms         0.153
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         7085
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0319
_refine_ls_restrained_S_all      1.055
_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)+(0.0216P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0581
_refine_ls_wR_factor_ref         0.0640
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C14(H14), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24),
  C27(H27), C28(H28), C29(H29), C30(H30), C32(H32), C33(H33), C34(H34),
 C35(H35), C38(H38), C39(H39), C40(H40), C41(H41)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 -0.02966(2) 0.45466(2) 0.31341(2) 0.02384(7) Uani 1 1 d . . . . .
Pt2 Pt 0.14040(2) 0.29302(2) 0.31909(2) 0.02349(7) Uani 1 1 d . . . . .
Cl1 Cl -0.43004(14) 0.31313(10) 0.19644(8) 0.0457(4) Uani 1 1 d . . . . .
Cl2 Cl 0.11078(18) 0.33574(11) 0.07010(7) 0.0536(5) Uani 1 1 d . . . . .
O1 O -0.1896(3) 0.3828(2) 0.27862(18) 0.0338(10) Uani 1 1 d . . . . .
O2 O 0.1400(3) 0.3306(2) 0.21919(17) 0.0309(9) Uani 1 1 d . . . . .
N1 N 0.0086(4) 0.4064(3) 0.40773(19) 0.0231(10) Uani 1 1 d . . . . .
N2 N -0.0513(4) 0.4925(3) 0.2156(2) 0.0280(11) Uani 1 1 d . . . . .
N3 N 0.2640(4) 0.3758(3) 0.3599(2) 0.0245(11) Uani 1 1 d . . . . .
N4 N -0.0108(4) 0.2220(3) 0.2799(2) 0.0270(11) Uani 1 1 d . . . . .
C1 C -0.3763(5) 0.3055(4) 0.2864(3) 0.0349(15) Uani 1 1 d . . . . .
C2 C -0.2522(5) 0.3429(3) 0.3174(3) 0.0268(13) Uani 1 1 d . . . . .
C3 C -0.2057(5) 0.3328(3) 0.3902(3) 0.0274(13) Uani 1 1 d . . . . .
C4 C -0.2806(6) 0.2856(3) 0.4272(3) 0.0363(15) Uani 1 1 d . . . . .
H4 H -0.2459 0.2766 0.4753 0.044 Uiso 1 1 calc R . . . .
C5 C -0.4028(6) 0.2527(4) 0.3946(3) 0.0456(18) Uani 1 1 d . . . . .
H5 H -0.4545 0.2232 0.4203 0.055 Uiso 1 1 calc R . . . .
C6 C -0.4491(6) 0.2635(4) 0.3235(3) 0.0452(18) Uani 1 1 d . . . . .
H6 H -0.5331 0.2410 0.3007 0.054 Uiso 1 1 calc R . . . .
C7 C -0.0755(5) 0.3592(3) 0.4279(2) 0.0261(13) Uani 1 1 d . . . . .
H7 H -0.0457 0.3402 0.4734 0.031 Uiso 1 1 calc R . . . .
C8 C 0.1434(5) 0.4139(3) 0.4532(2) 0.0234(12) Uani 1 1 d . . . . .
C9 C 0.1495(5) 0.4381(3) 0.5217(3) 0.0287(13) Uani 1 1 d . . . . .
H9 H 0.0648 0.4472 0.5382 0.034 Uiso 1 1 calc R . . . .
C10 C 0.2779(6) 0.4490(3) 0.5655(3) 0.0353(15) Uani 1 1 d . . . . .
H10 H 0.2819 0.4666 0.6115 0.042 Uiso 1 1 calc R . . . .
C11 C 0.4002(5) 0.4339(3) 0.5413(3) 0.0372(16) Uani 1 1 d . . . . .
H11 H 0.4886 0.4406 0.5713 0.045 Uiso 1 1 calc R . . . .
C12 C 0.3958(5) 0.4094(3) 0.4747(3) 0.0330(14) Uani 1 1 d . . . . .
H12 H 0.4810 0.3994 0.4590 0.040 Uiso 1 1 calc R . . . .
C13 C 0.2672(5) 0.3990(3) 0.4299(3) 0.0254(12) Uani 1 1 d . . . . .
C14 C 0.3237(5) 0.4188(3) 0.3222(3) 0.0294(14) Uani 1 1 d . . . . .
H14 H 0.3797 0.4553 0.3475 0.035 Uiso 1 1 calc R . . . .
C15 C 0.3181(5) 0.4198(3) 0.2483(3) 0.0317(14) Uani 1 1 d . . . . .
C16 C 0.2238(5) 0.3776(3) 0.2008(3) 0.0288(13) Uani 1 1 d . . . . .
C17 C 0.2230(5) 0.3888(4) 0.1291(3) 0.0335(14) Uani 1 1 d . . . . .
C18 C 0.3064(6) 0.4391(4) 0.1053(3) 0.0437(17) Uani 1 1 d . . . . .
H18 H 0.3031 0.4446 0.0565 0.052 Uiso 1 1 calc R . . . .
C19 C 0.3947(6) 0.4816(4) 0.1520(3) 0.0488(18) Uani 1 1 d . . . . .
H19 H 0.4516 0.5167 0.1357 0.059 Uiso 1 1 calc R . . . .
C20 C 0.3999(6) 0.4727(4) 0.2225(3) 0.0431(17) Uani 1 1 d . . . . .
H20 H 0.4595 0.5026 0.2545 0.052 Uiso 1 1 calc R . . . .
C21 C -0.0779(5) 0.2235(3) 0.2131(3) 0.0321(14) Uani 1 1 d . . . . .
H21 H -0.0465 0.2553 0.1813 0.039 Uiso 1 1 calc R . . . .
C22 C -0.1919(6) 0.1796(4) 0.1897(3) 0.0401(16) Uani 1 1 d . . . . .
H22 H -0.2380 0.1806 0.1422 0.048 Uiso 1 1 calc R . . . .
C23 C -0.2373(6) 0.1343(4) 0.2367(3) 0.0446(17) Uani 1 1 d . . . . .
H23 H -0.3149 0.1034 0.2217 0.054 Uiso 1 1 calc R . . . .
C24 C -0.1698(6) 0.1340(4) 0.3052(3) 0.0416(16) Uani 1 1 d . . . . .
H24 H -0.2013 0.1032 0.3378 0.050 Uiso 1 1 calc R . . . .
C25 C -0.0557(5) 0.1788(3) 0.3269(3) 0.0308(13) Uani 1 1 d . . . . .
C26 C 0.0275(5) 0.1849(3) 0.3972(3) 0.0283(13) Uani 1 1 d . . . . .
C27 C 0.0028(6) 0.1432(4) 0.4529(3) 0.0435(17) Uani 1 1 d . . . . .
H27 H -0.0741 0.1109 0.4465 0.052 Uiso 1 1 calc R . . . .
C28 C 0.0899(7) 0.1488(4) 0.5171(3) 0.0492(18) Uani 1 1 d . . . . .
H28 H 0.0726 0.1213 0.5555 0.059 Uiso 1 1 calc R . . . .
C29 C 0.2036(7) 0.1954(4) 0.5249(3) 0.0452(17) Uani 1 1 d . . . . .
H29 H 0.2675 0.1975 0.5682 0.054 Uiso 1 1 calc R . . . .
C30 C 0.2246(6) 0.2381(4) 0.4712(3) 0.0392(16) Uani 1 1 d . . . . .
H30 H 0.3021 0.2702 0.4785 0.047 Uiso 1 1 calc R . . . .
C31 C 0.1353(5) 0.2364(3) 0.4051(3) 0.0261(13) Uani 1 1 d . . . . .
C32 C -0.1358(6) 0.4627(3) 0.1602(3) 0.0377(15) Uani 1 1 d . . . . .
H32 H -0.1969 0.4249 0.1675 0.045 Uiso 1 1 calc R . . . .
C33 C -0.1354(7) 0.4858(4) 0.0935(3) 0.0496(18) Uani 1 1 d . . . . .
H33 H -0.1979 0.4653 0.0552 0.059 Uiso 1 1 calc R . . . .
C34 C -0.0448(7) 0.5385(4) 0.0825(3) 0.0513(19) Uani 1 1 d . . . . .
H34 H -0.0427 0.5544 0.0364 0.062 Uiso 1 1 calc R . . . .
C35 C 0.0427(6) 0.5683(4) 0.1378(3) 0.0418(16) Uani 1 1 d . . . . .
H35 H 0.1067 0.6046 0.1301 0.050 Uiso 1 1 calc R . . . .
C36 C 0.0392(5) 0.5462(3) 0.2052(3) 0.0308(14) Uani 1 1 d . . . . .
C37 C 0.1207(5) 0.5729(3) 0.2699(3) 0.0293(13) Uani 1 1 d . . . . .
C38 C 0.2062(5) 0.6334(3) 0.2716(3) 0.0374(15) Uani 1 1 d . . . . .
H38 H 0.2197 0.6547 0.2291 0.045 Uiso 1 1 calc R . . . .
C39 C 0.2712(6) 0.6623(4) 0.3347(3) 0.0421(16) Uani 1 1 d . . . . .
H39 H 0.3276 0.7040 0.3363 0.050 Uiso 1 1 calc R . . . .
C40 C 0.2518(5) 0.6289(4) 0.3952(3) 0.0380(15) Uani 1 1 d . . . . .
H40 H 0.2954 0.6484 0.4389 0.046 Uiso 1 1 calc R . . . .
C41 C 0.1711(5) 0.5679(3) 0.3944(3) 0.0280(13) Uani 1 1 d . . . . .
H41 H 0.1631 0.5459 0.4374 0.034 Uiso 1 1 calc R . . . .
C42 C 0.1016(5) 0.5382(3) 0.3326(3) 0.0275(13) 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 O1 2.067(4) . ?
Pt1 N1 2.020(4) . ?
Pt1 N2 2.009(4) . ?
Pt1 C42 2.006(6) . ?
Pt2 O2 2.071(3) . ?
Pt2 N3 2.028(4) . ?
Pt2 N4 2.020(4) . ?
Pt2 C31 1.993(5) . ?
Cl1 C1 1.739(6) . ?
Cl2 C17 1.739(6) . ?
O1 C2 1.293(6) . ?
O2 C16 1.292(6) . ?
N1 C7 1.311(6) . ?
N1 C8 1.440(5) . ?
N2 C32 1.349(6) . ?
N2 C36 1.373(7) . ?
N3 C13 1.428(6) . ?
N3 C14 1.296(6) . ?
N4 C21 1.343(6) . ?
N4 C25 1.354(7) . ?
C1 C2 1.424(7) . ?
C1 C6 1.353(8) . ?
C2 C3 1.420(7) . ?
C3 C4 1.422(7) . ?
C3 C7 1.424(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.389(8) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.402(7) . ?
C8 C13 1.387(6) . ?
C9 H9 0.9500 . ?
C9 C10 1.386(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.383(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.371(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.395(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.433(7) . ?
C15 C16 1.413(7) . ?
C15 C20 1.419(8) . ?
C16 C17 1.413(7) . ?
C17 C18 1.378(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.380(8) . ?
C19 H19 0.9500 . ?
C19 C20 1.376(8) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C21 C22 1.383(8) . ?
C22 H22 0.9500 . ?
C22 C23 1.380(8) . ?
C23 H23 0.9500 . ?
C23 C24 1.373(8) . ?
C24 H24 0.9500 . ?
C24 C25 1.388(7) . ?
C25 C26 1.459(7) . ?
C26 C27 1.394(7) . ?
C26 C31 1.408(7) . ?
C27 H27 0.9500 . ?
C27 C28 1.377(7) . ?
C28 H28 0.9500 . ?
C28 C29 1.390(8) . ?
C29 H29 0.9500 . ?
C29 C30 1.364(8) . ?
C30 H30 0.9500 . ?
C30 C31 1.411(7) . ?
C32 H32 0.9500 . ?
C32 C33 1.372(8) . ?
C33 H33 0.9500 . ?
C33 C34 1.365(9) . ?
C34 H34 0.9500 . ?
C34 C35 1.361(8) . ?
C35 H35 0.9500 . ?
C35 C36 1.385(7) . ?
C36 C37 1.446(7) . ?
C37 C38 1.401(8) . ?
C37 C42 1.425(7) . ?
C38 H38 0.9500 . ?
C38 C39 1.383(8) . ?
C39 H39 0.9500 . ?
C39 C40 1.380(8) . ?
C40 H40 0.9500 . ?
C40 C41 1.382(8) . ?
C41 H41 0.9500 . ?
C41 C42 1.383(7) . ?

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
N1 Pt1 O1 90.36(15) . . ?
N2 Pt1 O1 88.83(16) . . ?
N2 Pt1 N1 172.34(17) . . ?
C42 Pt1 O1 167.97(18) . . ?
C42 Pt1 N1 100.21(19) . . ?
C42 Pt1 N2 81.4(2) . . ?
N3 Pt2 O2 90.33(16) . . ?
N4 Pt2 O2 89.66(16) . . ?
N4 Pt2 N3 170.04(16) . . ?
C31 Pt2 O2 167.6(2) . . ?
C31 Pt2 N3 100.5(2) . . ?
C31 Pt2 N4 80.7(2) . . ?
C2 O1 Pt1 126.1(3) . . ?
C16 O2 Pt2 127.0(3) . . ?
C7 N1 Pt1 123.8(3) . . ?
C7 N1 C8 115.0(4) . . ?
C8 N1 Pt1 120.5(3) . . ?
C32 N2 Pt1 123.7(4) . . ?
C32 N2 C36 119.6(5) . . ?
C36 N2 Pt1 116.3(3) . . ?
C13 N3 Pt2 120.9(3) . . ?
C14 N3 Pt2 123.1(4) . . ?
C14 N3 C13 114.8(5) . . ?
C21 N4 Pt2 122.5(4) . . ?
C21 N4 C25 120.8(5) . . ?
C25 N4 Pt2 116.0(3) . . ?
C2 C1 Cl1 117.2(4) . . ?
C6 C1 Cl1 120.0(4) . . ?
C6 C1 C2 122.7(5) . . ?
O1 C2 C1 119.2(5) . . ?
O1 C2 C3 124.5(5) . . ?
C3 C2 C1 116.4(5) . . ?
C2 C3 C4 119.6(5) . . ?
C2 C3 C7 123.6(5) . . ?
C4 C3 C7 116.2(5) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 C3 121.2(5) . . ?
C5 C4 H4 119.4 . . ?
C4 C5 H5 120.5 . . ?
C4 C5 C6 119.0(6) . . ?
C6 C5 H5 120.5 . . ?
C1 C6 C5 121.0(5) . . ?
C1 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
N1 C7 C3 128.3(5) . . ?
N1 C7 H7 115.8 . . ?
C3 C7 H7 115.8 . . ?
C9 C8 N1 119.3(4) . . ?
C13 C8 N1 121.1(4) . . ?
C13 C8 C9 119.5(4) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 C8 120.6(5) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 120.5 . . ?
C11 C10 C9 119.1(5) . . ?
C11 C10 H10 120.5 . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 121.0(5) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.4(5) . . ?
C13 C12 H12 119.8 . . ?
C8 C13 N3 120.6(4) . . ?
C8 C13 C12 119.4(5) . . ?
C12 C13 N3 120.0(4) . . ?
N3 C14 H14 115.1 . . ?
N3 C14 C15 129.8(5) . . ?
C15 C14 H14 115.1 . . ?
C16 C15 C14 123.4(5) . . ?
C16 C15 C20 119.6(5) . . ?
C20 C15 C14 116.5(5) . . ?
O2 C16 C15 124.2(5) . . ?
O2 C16 C17 119.2(5) . . ?
C17 C16 C15 116.6(5) . . ?
C16 C17 Cl2 117.2(5) . . ?
C18 C17 Cl2 120.0(4) . . ?
C18 C17 C16 122.8(6) . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.1(5) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.5(6) . . ?
C20 C19 H19 120.3 . . ?
C15 C20 H20 119.3 . . ?
C19 C20 C15 121.4(6) . . ?
C19 C20 H20 119.3 . . ?
N4 C21 H21 119.4 . . ?
N4 C21 C22 121.2(5) . . ?
C22 C21 H21 119.4 . . ?
C21 C22 H22 120.6 . . ?
C23 C22 C21 118.7(5) . . ?
C23 C22 H22 120.6 . . ?
C22 C23 H23 120.2 . . ?
C24 C23 C22 119.7(6) . . ?
C24 C23 H23 120.2 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.1(6) . . ?
C25 C24 H24 120.0 . . ?
N4 C25 C24 119.5(5) . . ?
N4 C25 C26 113.5(5) . . ?
C24 C25 C26 127.0(5) . . ?
C27 C26 C25 122.8(5) . . ?
C27 C26 C31 122.0(5) . . ?
C31 C26 C25 115.1(5) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.0(6) . . ?
C28 C27 H27 120.0 . . ?
C27 C28 H28 120.5 . . ?
C27 C28 C29 119.0(6) . . ?
C29 C28 H28 120.5 . . ?
C28 C29 H29 119.5 . . ?
C30 C29 C28 120.9(5) . . ?
C30 C29 H29 119.5 . . ?
C29 C30 H30 118.9 . . ?
C29 C30 C31 122.3(6) . . ?
C31 C30 H30 118.9 . . ?
C26 C31 Pt2 114.0(4) . . ?
C26 C31 C30 115.5(5) . . ?
C30 C31 Pt2 130.5(4) . . ?
N2 C32 H32 119.3 . . ?
N2 C32 C33 121.3(6) . . ?
C33 C32 H32 119.3 . . ?
C32 C33 H33 120.2 . . ?
C34 C33 C32 119.6(6) . . ?
C34 C33 H33 120.2 . . ?
C33 C34 H34 120.2 . . ?
C35 C34 C33 119.7(6) . . ?
C35 C34 H34 120.2 . . ?
C34 C35 H35 119.7 . . ?
C34 C35 C36 120.6(6) . . ?
C36 C35 H35 119.7 . . ?
N2 C36 C35 119.2(5) . . ?
N2 C36 C37 112.5(5) . . ?
C35 C36 C37 128.2(6) . . ?
C38 C37 C36 121.5(5) . . ?
C38 C37 C42 121.3(5) . . ?
C42 C37 C36 117.0(5) . . ?
C37 C38 H38 119.8 . . ?
C39 C38 C37 120.4(6) . . ?
C39 C38 H38 119.8 . . ?
C38 C39 H39 120.9 . . ?
C40 C39 C38 118.1(6) . . ?
C40 C39 H39 120.9 . . ?
C39 C40 H40 118.9 . . ?
C39 C40 C41 122.1(6) . . ?
C41 C40 H40 118.9 . . ?
C40 C41 H41 119.2 . . ?
C40 C41 C42 121.7(5) . . ?
C42 C41 H41 119.2 . . ?
C37 C42 Pt1 112.0(4) . . ?
C41 C42 Pt1 131.6(4) . . ?
C41 C42 C37 116.3(5) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_160719_s5_gf
_database_code_depnum_ccdc_archive 'CCDC 1589704'
loop_
_audit_author_name
_audit_author_address
'Haifeng Xiang' ??'f?ffb
_audit_update_record             
;
2017-12-07 deposited with the CCDC.	2019-04-18 downloaded from the CCDC.
;
_audit_creation_date             2016-07-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C50 H34 N4 O2 Pt2, C H Cl3'
_chemical_formula_sum            'C51 H35 Cl3 N4 O2 Pt2'
_chemical_formula_weight         1232.36
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         c12h12n2o3pt2
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'
Cl Cl 0.1484 0.1585 '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'

_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.
;
_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'
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                   10.7354(4)
_cell_length_b                   20.1891(8)
_cell_length_c                   21.7815(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4720.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3890
_cell_measurement_temperature    143.00(10)
_cell_measurement_theta_max      27.1950
_cell_measurement_theta_min      3.3380
_shelx_estimated_absorpt_T_max   0.261
_shelx_estimated_absorpt_T_min   0.193
_exptl_absorpt_coefficient_mu    6.133
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43037
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.3
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_unetI/netI     0.0701
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14132
_diffrn_reflns_point_group_measured_fraction_full 0.894
_diffrn_reflns_point_group_measured_fraction_max 0.886
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.370
_diffrn_reflns_theta_min         2.923
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      143.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0874
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -15.00   12.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.9669  -99.0000 -180.0000 27

#__ type_ start__ end____ width___ exp.time_
  2 omega  -79.00  -11.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.9669  -57.0000   30.0000 68

#__ type_ start__ end____ width___ exp.time_
  3 omega  -36.00   10.00   1.0000    9.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.9669  -77.0000  -60.0000 46
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0306827000
_diffrn_orient_matrix_UB_12      -0.0283197000
_diffrn_orient_matrix_UB_13      -0.0118830000
_diffrn_orient_matrix_UB_21      0.0038440000
_diffrn_orient_matrix_UB_22      0.0135060000
_diffrn_orient_matrix_UB_23      -0.0300042000
_diffrn_orient_matrix_UB_31      0.0584073000
_diffrn_orient_matrix_UB_32      -0.0158030000
_diffrn_orient_matrix_UB_33      -0.0043115000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.599
_reflns_Friedel_fraction_full    0.765
_reflns_Friedel_fraction_max     0.746
_reflns_number_gt                7165
_reflns_number_total             8560
_reflns_odcompleteness_completeness 99.70
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.272
_refine_diff_density_min         -0.741
_refine_diff_density_rms         0.138
_refine_ls_abs_structure_details 
;
 Flack x determined using 2360 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.554(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         8560
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0493
_refine_ls_restrained_S_all      1.049
_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)+(0.0633P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1180
_refine_ls_wR_factor_ref         0.1263
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C31) = Uanis(C32) = Uanis(C33) = Uanis(C34) = Uanis(C35) = Uanis(C36) =
Uanis(C37) = Uanis(C38) = Uanis(C13) = Uanis(C14) = Uanis(C15) = Uanis(C16) =
Uanis(C17) = Uanis(C18) = Uanis(C19) = Uanis(C20)
3.a Ternary CH refined with riding coordinates:
 C51(H51)
3.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C13(H13),
 C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C22(H22), C24(H24), C25(H25),
  C26(H26), C27(H27), C29(H29), C32(H32), C33(H33), C34(H34), C35(H35),
 C37(H37), C38(H38), C40(H40), C41(H41), C42(H42), C43(H43), C46(H46), C47(H47),
  C48(H48), C49(H49)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.45207(5) 0.44600(3) 0.32238(3) 0.03862(16) Uani 1 1 d . . . . .
Pt2 Pt 0.30996(5) 0.47108(3) 0.18642(3) 0.04221(17) Uani 1 1 d . . . . .
O1 O 0.5886(9) 0.4931(5) 0.2732(4) 0.043(2) Uani 1 1 d . . . . .
O2 O 0.2717(11) 0.5541(6) 0.2379(5) 0.062(3) Uani 1 1 d . . . . .
N1 N 0.4258(11) 0.5288(6) 0.3712(5) 0.042(3) Uani 1 1 d . . . . .
N2 N 0.4613(10) 0.3685(5) 0.2639(5) 0.034(2) Uani 1 1 d . . . . .
N3 N 0.2075(11) 0.4166(7) 0.2431(5) 0.047(3) Uani 1 1 d . . . . .
N4 N 0.4346(12) 0.5232(7) 0.1364(6) 0.050(3) Uani 1 1 d . . . . .
C1 C 0.4819(17) 0.5868(10) 0.3591(8) 0.063(5) Uani 1 1 d . . . . .
H1 H 0.5380 0.5886 0.3266 0.076 Uiso 1 1 calc R . . . .
C2 C 0.4616(18) 0.6427(9) 0.3915(9) 0.070(5) Uani 1 1 d . . . . .
H2 H 0.5072 0.6810 0.3838 0.084 Uiso 1 1 calc R . . . .
C3 C 0.372(2) 0.6413(11) 0.4356(11) 0.086(7) Uani 1 1 d . . . . .
H3 H 0.3547 0.6795 0.4579 0.103 Uiso 1 1 calc R . . . .
C4 C 0.3093(19) 0.5845(12) 0.4474(9) 0.075(6) Uani 1 1 d . . . . .
H4 H 0.2477 0.5840 0.4774 0.091 Uiso 1 1 calc R . . . .
C5 C 0.3358(15) 0.5278(9) 0.4151(7) 0.050(4) Uani 1 1 d . . . . .
C6 C 0.2787(14) 0.4615(11) 0.4211(7) 0.063(6) Uani 1 1 d . . . . .
C7 C 0.1895(17) 0.4470(11) 0.4649(8) 0.068(5) Uani 1 1 d . . . . .
H7 H 0.1543 0.4811 0.4878 0.081 Uiso 1 1 calc R . . . .
C8 C 0.153(2) 0.3839(15) 0.4746(11) 0.104(8) Uani 1 1 d . . . . .
H8 H 0.0956 0.3748 0.5054 0.125 Uiso 1 1 calc R . . . .
C9 C 0.200(2) 0.3327(11) 0.4394(8) 0.077(6) Uani 1 1 d . . . . .
H9 H 0.1693 0.2899 0.4439 0.092 Uiso 1 1 calc R . . . .
C10 C 0.2953(17) 0.3461(9) 0.3966(7) 0.056(5) Uani 1 1 d . . . . .
H10 H 0.3343 0.3111 0.3766 0.068 Uiso 1 1 calc R . . . .
C11 C 0.3322(14) 0.4107(8) 0.3838(6) 0.045(4) Uani 1 1 d . . . . .
C12 C 0.6669(12) 0.4646(6) 0.2371(6) 0.034(3) Uani 1 1 d . . . . .
C13 C 0.7743(17) 0.5027(11) 0.2202(9) 0.0729(14) Uani 1 1 d . . . . .
H13 H 0.7853 0.5441 0.2380 0.087 Uiso 1 1 calc R . . . .
C14 C 0.8624(17) 0.4805(10) 0.1787(9) 0.0729(14) Uani 1 1 d . . . . .
H14 H 0.9279 0.5081 0.1674 0.087 Uiso 1 1 calc R . . . .
C15 C 0.8537(18) 0.4154(11) 0.1528(9) 0.0729(14) Uani 1 1 d . . . . .
C16 C 0.9448(18) 0.3927(11) 0.1147(9) 0.0729(14) Uani 1 1 d . . . . .
H16 H 1.0133 0.4196 0.1071 0.087 Uiso 1 1 calc R . . . .
C17 C 0.9394(19) 0.3318(11) 0.0871(9) 0.0729(14) Uani 1 1 d . . . . .
H17 H 1.0021 0.3169 0.0611 0.087 Uiso 1 1 calc R . . . .
C18 C 0.8318(18) 0.2922(11) 0.1006(9) 0.0729(14) Uani 1 1 d . . . . .
H18 H 0.8211 0.2515 0.0812 0.087 Uiso 1 1 calc R . . . .
C19 C 0.7466(19) 0.3137(11) 0.1409(9) 0.0729(14) Uani 1 1 d . . . . .
H19 H 0.6812 0.2850 0.1499 0.087 Uiso 1 1 calc R . . . .
C20 C 0.7464(18) 0.3748(10) 0.1707(9) 0.0729(14) Uani 1 1 d . . . . .
C21 C 0.6575(13) 0.3999(7) 0.2126(7) 0.040(3) Uani 1 1 d . . . . .
C22 C 0.5489(13) 0.3617(7) 0.2231(6) 0.037(3) Uani 1 1 d . . . . .
H22 H 0.5385 0.3261 0.1966 0.045 Uiso 1 1 calc R . . . .
C23 C 0.3547(16) 0.3235(9) 0.2585(7) 0.050(4) Uani 1 1 d . . . . .
C24 C 0.3774(18) 0.2556(8) 0.2621(8) 0.060(5) Uani 1 1 d . . . . .
H24 H 0.4582 0.2399 0.2671 0.073 Uiso 1 1 calc R . . . .
C25 C 0.2811(19) 0.2132(9) 0.2582(9) 0.067(5) Uani 1 1 d . . . . .
H25 H 0.2966 0.1678 0.2584 0.080 Uiso 1 1 calc R . . . .
C26 C 0.164(2) 0.2346(11) 0.2540(8) 0.074(6) Uani 1 1 d . . . . .
H26 H 0.0994 0.2040 0.2547 0.089 Uiso 1 1 calc R . . . .
C27 C 0.1359(16) 0.3030(10) 0.2485(8) 0.063(5) Uani 1 1 d . . . . .
H27 H 0.0545 0.3180 0.2441 0.076 Uiso 1 1 calc R . . . .
C28 C 0.2354(15) 0.3460(8) 0.2500(7) 0.049(4) Uani 1 1 d . . . . .
C29 C 0.1278(12) 0.4426(10) 0.2839(7) 0.054(5) Uani 1 1 d . . . . .
H29 H 0.0867 0.4121 0.3086 0.065 Uiso 1 1 calc R . . . .
C30 C 0.0982(17) 0.5076(10) 0.2944(9) 0.063(5) Uani 1 1 d . . . . .
C31 C -0.0096(17) 0.5233(11) 0.3353(9) 0.0729(14) Uani 1 1 d . . . . .
C32 C -0.0914(16) 0.4778(11) 0.3554(9) 0.0729(14) Uani 1 1 d . . . . .
H32 H -0.0782 0.4339 0.3441 0.087 Uiso 1 1 calc R . . . .
C33 C -0.1969(17) 0.4923(11) 0.3927(9) 0.0729(14) Uani 1 1 d . . . . .
H33 H -0.2501 0.4590 0.4062 0.087 Uiso 1 1 calc R . . . .
C34 C -0.2169(18) 0.5582(11) 0.4080(9) 0.0729(14) Uani 1 1 d . . . . .
H34 H -0.2883 0.5703 0.4294 0.087 Uiso 1 1 calc R . . . .
C35 C -0.1419(17) 0.5999(12) 0.3936(9) 0.0729(14) Uani 1 1 d . . . . .
H35 H -0.1548 0.6426 0.4082 0.087 Uiso 1 1 calc R . . . .
C36 C -0.0322(18) 0.5889(11) 0.3549(9) 0.0729(14) Uani 1 1 d . . . . .
C37 C 0.0506(17) 0.6353(11) 0.3338(8) 0.0729(14) Uani 1 1 d . . . . .
H37 H 0.0359 0.6787 0.3459 0.087 Uiso 1 1 calc R . . . .
C38 C 0.1519(18) 0.6253(10) 0.2970(9) 0.0729(14) Uani 1 1 d . . . . .
H38 H 0.2042 0.6603 0.2866 0.087 Uiso 1 1 calc R . . . .
C39 C 0.175(2) 0.5608(10) 0.2753(8) 0.068(5) Uani 1 1 d . . . . .
C40 C 0.4648(15) 0.5876(8) 0.1506(8) 0.052(4) Uani 1 1 d . . . . .
H40 H 0.4213 0.6112 0.1804 0.062 Uiso 1 1 calc R . . . .
C41 C 0.5647(18) 0.6162(10) 0.1179(10) 0.068(5) Uani 1 1 d . . . . .
H41 H 0.5862 0.6599 0.1261 0.081 Uiso 1 1 calc R . . . .
C42 C 0.628(2) 0.5837(12) 0.0768(11) 0.086(7) Uani 1 1 d . . . . .
H42 H 0.6921 0.6048 0.0558 0.104 Uiso 1 1 calc R . . . .
C43 C 0.6019(15) 0.5192(11) 0.0641(9) 0.066(5) Uani 1 1 d . . . . .
H43 H 0.6506 0.4959 0.0361 0.079 Uiso 1 1 calc R . . . .
C44 C 0.4985(15) 0.4869(9) 0.0939(8) 0.054(4) Uani 1 1 d . . . . .
C45 C 0.4532(16) 0.4200(8) 0.0863(7) 0.048(4) Uani 1 1 d . . . . .
C46 C 0.4995(16) 0.3792(10) 0.0422(8) 0.061(5) Uani 1 1 d . . . . .
H46 H 0.5673 0.3923 0.0186 0.073 Uiso 1 1 calc R . . . .
C47 C 0.4443(18) 0.3175(9) 0.0328(9) 0.065(5) Uani 1 1 d . . . . .
H47 H 0.4782 0.2879 0.0046 0.078 Uiso 1 1 calc R . . . .
C48 C 0.340(2) 0.3008(10) 0.0653(8) 0.070(5) Uani 1 1 d . . . . .
H48 H 0.2977 0.2618 0.0563 0.084 Uiso 1 1 calc R . . . .
C49 C 0.2978(15) 0.3418(8) 0.1111(7) 0.048(4) Uani 1 1 d . . . . .
H49 H 0.2293 0.3286 0.1342 0.058 Uiso 1 1 calc R . . . .
C50 C 0.3530(15) 0.4015(8) 0.1240(7) 0.046(4) Uani 1 1 d . . . . .
Cl1 Cl 0.1350(5) 0.5664(4) 0.0988(3) 0.105(2) Uani 1 1 d . . . . .
Cl2 Cl -0.0620(5) 0.5484(4) 0.0122(3) 0.105(2) Uani 1 1 d . . . . .
Cl3 Cl -0.0598(8) 0.6630(4) 0.0911(5) 0.151(3) Uani 1 1 d . . . . .
C51 C 0.0340(18) 0.6080(11) 0.0491(10) 0.084(7) Uani 1 1 d . . . . .
H51 H 0.0821 0.6325 0.0183 0.101 Uiso 1 1 calc R . . . .


_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 O1 2.050(9) . ?
Pt1 N1 2.000(12) . ?
Pt1 N2 2.020(11) . ?
Pt1 C11 1.988(14) . ?
Pt2 O2 2.058(12) . ?
Pt2 N3 1.986(12) . ?
Pt2 N4 2.021(13) . ?
Pt2 C50 2.009(16) . ?
O1 C12 1.286(16) . ?
O2 C39 1.32(2) . ?
N1 C1 1.34(2) . ?
N1 C5 1.360(19) . ?
N2 C22 1.300(17) . ?
N2 C23 1.465(19) . ?
N3 C28 1.46(2) . ?
N3 C29 1.340(19) . ?
N4 C40 1.37(2) . ?
N4 C44 1.37(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.35(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.36(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.36(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.37(2) . ?
C5 C6 1.48(3) . ?
C6 C7 1.38(2) . ?
C6 C11 1.43(2) . ?
C7 H7 0.9300 . ?
C7 C8 1.35(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.38(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.41(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.39(2) . ?
C12 C13 1.43(2) . ?
C12 C21 1.416(19) . ?
C13 H13 0.9300 . ?
C13 C14 1.38(2) . ?
C14 H14 0.9300 . ?
C14 C15 1.43(3) . ?
C15 C16 1.36(3) . ?
C15 C20 1.47(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.37(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.44(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.34(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.39(3) . ?
C20 C21 1.41(2) . ?
C21 C22 1.416(19) . ?
C22 H22 0.9300 . ?
C23 C24 1.40(2) . ?
C23 C28 1.37(2) . ?
C24 H24 0.9300 . ?
C24 C25 1.35(2) . ?
C25 H25 0.9300 . ?
C25 C26 1.33(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.42(3) . ?
C27 H27 0.9300 . ?
C27 C28 1.38(2) . ?
C29 H29 0.9300 . ?
C29 C30 1.37(3) . ?
C30 C31 1.49(2) . ?
C30 C39 1.42(3) . ?
C31 C32 1.34(3) . ?
C31 C36 1.41(3) . ?
C32 H32 0.9300 . ?
C32 C33 1.42(2) . ?
C33 H33 0.9300 . ?
C33 C34 1.39(3) . ?
C34 H34 0.9300 . ?
C34 C35 1.21(3) . ?
C35 H35 0.9300 . ?
C35 C36 1.47(3) . ?
C36 C37 1.37(3) . ?
C37 H37 0.9300 . ?
C37 C38 1.37(3) . ?
C38 H38 0.9300 . ?
C38 C39 1.41(3) . ?
C40 H40 0.9300 . ?
C40 C41 1.41(2) . ?
C41 H41 0.9300 . ?
C41 C42 1.30(3) . ?
C42 H42 0.9300 . ?
C42 C43 1.36(3) . ?
C43 H43 0.9300 . ?
C43 C44 1.44(2) . ?
C44 C45 1.45(2) . ?
C45 C46 1.36(2) . ?
C45 C50 1.40(2) . ?
C46 H46 0.9300 . ?
C46 C47 1.40(3) . ?
C47 H47 0.9300 . ?
C47 C48 1.37(3) . ?
C48 H48 0.9300 . ?
C48 C49 1.37(2) . ?
C49 H49 0.9300 . ?
C49 C50 1.37(2) . ?
Cl1 C51 1.75(2) . ?
Cl2 C51 1.78(2) . ?
Cl3 C51 1.76(2) . ?
C51 H51 0.9800 . ?

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
N1 Pt1 O1 89.5(5) . . ?
N1 Pt1 N2 171.5(5) . . ?
N2 Pt1 O1 89.7(4) . . ?
C11 Pt1 O1 168.8(5) . . ?
C11 Pt1 N1 81.4(6) . . ?
C11 Pt1 N2 100.3(6) . . ?
N3 Pt2 O2 90.1(5) . . ?
N3 Pt2 N4 172.0(5) . . ?
N3 Pt2 C50 99.3(6) . . ?
N4 Pt2 O2 90.1(5) . . ?
C50 Pt2 O2 169.9(6) . . ?
C50 Pt2 N4 81.2(6) . . ?
C12 O1 Pt1 125.4(9) . . ?
C39 O2 Pt2 125.1(12) . . ?
C1 N1 Pt1 124.2(10) . . ?
C1 N1 C5 117.9(14) . . ?
C5 N1 Pt1 117.5(11) . . ?
C22 N2 Pt1 123.2(9) . . ?
C22 N2 C23 116.4(12) . . ?
C23 N2 Pt1 119.5(9) . . ?
C28 N3 Pt2 119.3(10) . . ?
C29 N3 Pt2 123.3(12) . . ?
C29 N3 C28 116.4(14) . . ?
C40 N4 Pt2 121.9(12) . . ?
C44 N4 Pt2 114.7(11) . . ?
C44 N4 C40 122.8(15) . . ?
N1 C1 H1 118.1 . . ?
N1 C1 C2 123.7(17) . . ?
C2 C1 H1 118.1 . . ?
C1 C2 H2 121.0 . . ?
C1 C2 C3 118(2) . . ?
C3 C2 H2 121.0 . . ?
C2 C3 H3 119.9 . . ?
C2 C3 C4 120.2(19) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.3(19) . . ?
C5 C4 H4 119.8 . . ?
N1 C5 C4 119.7(16) . . ?
N1 C5 C6 111.7(14) . . ?
C4 C5 C6 128.6(16) . . ?
C7 C6 C5 122.7(18) . . ?
C7 C6 C11 121(2) . . ?
C11 C6 C5 115.7(13) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 C6 121(2) . . ?
C8 C7 H7 119.7 . . ?
C7 C8 H8 119.6 . . ?
C7 C8 C9 120.9(19) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 120.4 . . ?
C8 C9 C10 119(2) . . ?
C10 C9 H9 120.4 . . ?
C9 C10 H10 119.4 . . ?
C11 C10 C9 121.3(18) . . ?
C11 C10 H10 119.4 . . ?
C6 C11 Pt1 112.7(12) . . ?
C10 C11 Pt1 131.0(12) . . ?
C10 C11 C6 116.4(15) . . ?
O1 C12 C13 116.3(13) . . ?
O1 C12 C21 126.6(13) . . ?
C21 C12 C13 117.1(14) . . ?
C12 C13 H13 118.5 . . ?
C14 C13 C12 123.0(19) . . ?
C14 C13 H13 118.5 . . ?
C13 C14 H14 119.7 . . ?
C13 C14 C15 121(2) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 C20 117.3(18) . . ?
C16 C15 C14 120(2) . . ?
C16 C15 C20 123(2) . . ?
C15 C16 H16 118.7 . . ?
C15 C16 C17 123(2) . . ?
C17 C16 H16 118.7 . . ?
C16 C17 H17 121.8 . . ?
C16 C17 C18 116.3(19) . . ?
C18 C17 H17 121.8 . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120(2) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 116.8 . . ?
C18 C19 C20 126(2) . . ?
C20 C19 H19 116.8 . . ?
C19 C20 C15 111.7(18) . . ?
C19 C20 C21 128.2(19) . . ?
C21 C20 C15 120.1(18) . . ?
C20 C21 C12 121.7(15) . . ?
C20 C21 C22 117.7(14) . . ?
C22 C21 C12 120.0(13) . . ?
N2 C22 C21 130.5(13) . . ?
N2 C22 H22 114.8 . . ?
C21 C22 H22 114.8 . . ?
C24 C23 N2 117.9(15) . . ?
C28 C23 N2 122.4(15) . . ?
C28 C23 C24 119.8(17) . . ?
C23 C24 H24 120.4 . . ?
C25 C24 C23 119.2(18) . . ?
C25 C24 H24 120.4 . . ?
C24 C25 H25 119.3 . . ?
C26 C25 C24 121.4(19) . . ?
C26 C25 H25 119.3 . . ?
C25 C26 H26 119.2 . . ?
C25 C26 C27 121.6(18) . . ?
C27 C26 H26 119.2 . . ?
C26 C27 H27 121.8 . . ?
C28 C27 C26 116.5(18) . . ?
C28 C27 H27 121.8 . . ?
C23 C28 N3 121.8(14) . . ?
C23 C28 C27 121.3(17) . . ?
C27 C28 N3 116.9(15) . . ?
N3 C29 H29 115.3 . . ?
N3 C29 C30 129.4(17) . . ?
C30 C29 H29 115.3 . . ?
C29 C30 C31 118.9(19) . . ?
C29 C30 C39 122.8(16) . . ?
C39 C30 C31 117.8(17) . . ?
C32 C31 C30 124(2) . . ?
C32 C31 C36 115.5(18) . . ?
C36 C31 C30 120.8(19) . . ?
C31 C32 H32 117.8 . . ?
C31 C32 C33 124(2) . . ?
C33 C32 H32 117.8 . . ?
C32 C33 H33 121.4 . . ?
C34 C33 C32 117(2) . . ?
C34 C33 H33 121.4 . . ?
C33 C34 H34 119.9 . . ?
C35 C34 C33 120(2) . . ?
C35 C34 H34 119.9 . . ?
C34 C35 H35 117.3 . . ?
C34 C35 C36 125(2) . . ?
C36 C35 H35 117.3 . . ?
C31 C36 C35 117(2) . . ?
C37 C36 C31 115.4(18) . . ?
C37 C36 C35 128(2) . . ?
C36 C37 H37 116.1 . . ?
C38 C37 C36 128(2) . . ?
C38 C37 H37 116.1 . . ?
C37 C38 H38 120.8 . . ?
C37 C38 C39 118(2) . . ?
C39 C38 H38 120.8 . . ?
O2 C39 C30 124.0(16) . . ?
O2 C39 C38 116(2) . . ?
C38 C39 C30 119.9(18) . . ?
N4 C40 H40 121.5 . . ?
N4 C40 C41 117.0(16) . . ?
C41 C40 H40 121.5 . . ?
C40 C41 H41 118.8 . . ?
C42 C41 C40 122.5(19) . . ?
C42 C41 H41 118.8 . . ?
C41 C42 H42 119.5 . . ?
C41 C42 C43 121(2) . . ?
C43 C42 H42 119.5 . . ?
C42 C43 H43 120.0 . . ?
C42 C43 C44 120(2) . . ?
C44 C43 H43 120.0 . . ?
N4 C44 C43 116.8(17) . . ?
N4 C44 C45 114.3(15) . . ?
C43 C44 C45 129.0(17) . . ?
C46 C45 C44 121.6(17) . . ?
C46 C45 C50 122.2(16) . . ?
C50 C45 C44 116.0(15) . . ?
C45 C46 H46 120.3 . . ?
C45 C46 C47 119.3(17) . . ?
C47 C46 H46 120.3 . . ?
C46 C47 H47 120.3 . . ?
C48 C47 C46 119.4(17) . . ?
C48 C47 H47 120.3 . . ?
C47 C48 H48 120.0 . . ?
C47 C48 C49 120.0(18) . . ?
C49 C48 H48 120.0 . . ?
C48 C49 H49 118.8 . . ?
C50 C49 C48 122.3(17) . . ?
C50 C49 H49 118.8 . . ?
C45 C50 Pt2 112.7(12) . . ?
C49 C50 Pt2 130.8(13) . . ?
C49 C50 C45 116.4(15) . . ?
Cl1 C51 Cl2 108.3(12) . . ?
Cl1 C51 Cl3 109.6(13) . . ?
Cl1 C51 H51 109.8 . . ?
Cl2 C51 H51 109.8 . . ?
Cl3 C51 Cl2 109.4(11) . . ?
Cl3 C51 H51 109.8 . . ?

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
Pt1 O1 C12 C13 -163.7(10) . . . . ?
Pt1 O1 C12 C21 16.4(19) . . . . ?
Pt1 N1 C1 C2 178.6(14) . . . . ?
Pt1 N1 C5 C4 -176.2(13) . . . . ?
Pt1 N1 C5 C6 3.9(17) . . . . ?
Pt1 N2 C22 C21 5(2) . . . . ?
Pt1 N2 C23 C24 -131.0(13) . . . . ?
Pt1 N2 C23 C28 49.3(17) . . . . ?
Pt2 O2 C39 C30 13(2) . . . . ?
Pt2 O2 C39 C38 -168.0(13) . . . . ?
Pt2 N3 C28 C23 46.8(19) . . . . ?
Pt2 N3 C28 C27 -134.3(13) . . . . ?
Pt2 N3 C29 C30 2(2) . . . . ?
Pt2 N4 C40 C41 171.7(11) . . . . ?
Pt2 N4 C44 C43 -170.4(11) . . . . ?
Pt2 N4 C44 C45 8.3(17) . . . . ?
O1 C12 C13 C14 -175.6(16) . . . . ?
O1 C12 C21 C20 176.7(14) . . . . ?
O1 C12 C21 C22 5(2) . . . . ?
N1 C1 C2 C3 -5(3) . . . . ?
N1 C5 C6 C7 176.5(15) . . . . ?
N1 C5 C6 C11 4(2) . . . . ?
N2 C23 C24 C25 179.0(15) . . . . ?
N2 C23 C28 N3 3(2) . . . . ?
N2 C23 C28 C27 -176.3(14) . . . . ?
N3 C29 C30 C31 169.7(15) . . . . ?
N3 C29 C30 C39 -19(3) . . . . ?
N4 C40 C41 C42 -1(3) . . . . ?
N4 C44 C45 C46 174.3(15) . . . . ?
N4 C44 C45 C50 -1(2) . . . . ?
C1 N1 C5 C4 -3(2) . . . . ?
C1 N1 C5 C6 177.2(14) . . . . ?
C1 C2 C3 C4 2(3) . . . . ?
C2 C3 C4 C5 1(3) . . . . ?
C3 C4 C5 N1 0(3) . . . . ?
C3 C4 C5 C6 179.7(18) . . . . ?
C4 C5 C6 C7 -3(3) . . . . ?
C4 C5 C6 C11 -175.8(17) . . . . ?
C5 N1 C1 C2 6(3) . . . . ?
C5 C6 C7 C8 -170.3(19) . . . . ?
C5 C6 C11 Pt1 -9.9(17) . . . . ?
C5 C6 C11 C10 168.8(15) . . . . ?
C6 C7 C8 C9 -3(4) . . . . ?
C7 C6 C11 Pt1 177.5(13) . . . . ?
C7 C6 C11 C10 -4(2) . . . . ?
C7 C8 C9 C10 6(4) . . . . ?
C8 C9 C10 C11 -8(3) . . . . ?
C9 C10 C11 Pt1 -174.7(13) . . . . ?
C9 C10 C11 C6 7(2) . . . . ?
C11 C6 C7 C8 2(3) . . . . ?
C12 C13 C14 C15 -4(3) . . . . ?
C12 C21 C22 N2 -18(2) . . . . ?
C13 C12 C21 C20 -3(2) . . . . ?
C13 C12 C21 C22 -174.6(14) . . . . ?
C13 C14 C15 C16 -176.2(19) . . . . ?
C13 C14 C15 C20 2(3) . . . . ?
C14 C15 C16 C17 -177.8(18) . . . . ?
C14 C15 C20 C19 178.0(17) . . . . ?
C14 C15 C20 C21 -1(3) . . . . ?
C15 C16 C17 C18 0(3) . . . . ?
C15 C20 C21 C12 2(3) . . . . ?
C15 C20 C21 C22 173.2(16) . . . . ?
C16 C15 C20 C19 -4(3) . . . . ?
C16 C15 C20 C21 177.2(18) . . . . ?
C16 C17 C18 C19 -4(3) . . . . ?
C17 C18 C19 C20 4(3) . . . . ?
C18 C19 C20 C15 0(3) . . . . ?
C18 C19 C20 C21 178.7(19) . . . . ?
C19 C20 C21 C12 -177.0(17) . . . . ?
C19 C20 C21 C22 -5(3) . . . . ?
C20 C15 C16 C17 4(3) . . . . ?
C20 C21 C22 N2 170.4(15) . . . . ?
C21 C12 C13 C14 4(2) . . . . ?
C22 N2 C23 C24 59.6(19) . . . . ?
C22 N2 C23 C28 -120.1(16) . . . . ?
C23 N2 C22 C21 174.4(14) . . . . ?
C23 C24 C25 C26 -3(3) . . . . ?
C24 C23 C28 N3 -177.2(15) . . . . ?
C24 C23 C28 C27 4(2) . . . . ?
C24 C25 C26 C27 5(3) . . . . ?
C25 C26 C27 C28 -2(3) . . . . ?
C26 C27 C28 N3 178.9(15) . . . . ?
C26 C27 C28 C23 -2(2) . . . . ?
C28 N3 C29 C30 169.7(16) . . . . ?
C28 C23 C24 C25 -1(3) . . . . ?
C29 N3 C28 C23 -121.8(16) . . . . ?
C29 N3 C28 C27 57.1(19) . . . . ?
C29 C30 C31 C32 -10(3) . . . . ?
C29 C30 C31 C36 170.4(18) . . . . ?
C29 C30 C39 O2 11(3) . . . . ?
C29 C30 C39 C38 -168.4(18) . . . . ?
C30 C31 C32 C33 -177.8(17) . . . . ?
C30 C31 C36 C35 178.4(16) . . . . ?
C30 C31 C36 C37 0(3) . . . . ?
C31 C30 C39 O2 -178.2(16) . . . . ?
C31 C30 C39 C38 3(3) . . . . ?
C31 C32 C33 C34 1(3) . . . . ?
C31 C36 C37 C38 -1(3) . . . . ?
C32 C31 C36 C35 -1(3) . . . . ?
C32 C31 C36 C37 -179.3(18) . . . . ?
C32 C33 C34 C35 -5(3) . . . . ?
C33 C34 C35 C36 6(3) . . . . ?
C34 C35 C36 C31 -3(3) . . . . ?
C34 C35 C36 C37 175(2) . . . . ?
C35 C36 C37 C38 -179.0(19) . . . . ?
C36 C31 C32 C33 1(3) . . . . ?
C36 C37 C38 C39 2(3) . . . . ?
C37 C38 C39 O2 177.5(16) . . . . ?
C37 C38 C39 C30 -3(3) . . . . ?
C39 C30 C31 C32 178.3(18) . . . . ?
C39 C30 C31 C36 -1(3) . . . . ?
C40 N4 C44 C43 0(2) . . . . ?
C40 N4 C44 C45 179.2(14) . . . . ?
C40 C41 C42 C43 -1(3) . . . . ?
C41 C42 C43 C44 3(3) . . . . ?
C42 C43 C44 N4 -3(3) . . . . ?
C42 C43 C44 C45 178.6(18) . . . . ?
C43 C44 C45 C46 -7(3) . . . . ?
C43 C44 C45 C50 177.3(16) . . . . ?
C44 N4 C40 C41 1(2) . . . . ?
C44 C45 C46 C47 -173.7(16) . . . . ?
C44 C45 C50 Pt2 -6.4(16) . . . . ?
C44 C45 C50 C49 170.9(13) . . . . ?
C45 C46 C47 C48 4(3) . . . . ?
C46 C45 C50 Pt2 178.1(12) . . . . ?
C46 C45 C50 C49 -5(2) . . . . ?
C46 C47 C48 C49 -7(3) . . . . ?
C47 C48 C49 C50 3(3) . . . . ?
C48 C49 C50 Pt2 178.8(13) . . . . ?
C48 C49 C50 C45 2(2) . . . . ?
C50 C45 C46 C47 2(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_zxg-r-cy-mo-2
_database_code_depnum_ccdc_archive 'CCDC 1589684'
loop_
_audit_author_name
_audit_author_address
'Haifeng Xiang' ??'f?ffb
_audit_update_record             
;
2017-12-07 deposited with the CCDC.	2019-04-18 downloaded from the CCDC.
;
_audit_creation_date             2016-10-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H36 N4 O2 Pt2, C H2 Cl2'
_chemical_formula_sum            'C43 H38 Cl2 N4 O2 Pt2'
_chemical_formula_weight         1103.85
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'

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

_cell_length_a                   11.05822(19)
_cell_length_b                   16.7782(4)
_cell_length_c                   20.3868(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3782.52(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7878
_cell_measurement_temperature    294.28(16)
_cell_measurement_theta_max      27.0740
_cell_measurement_theta_min      3.6300
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.574
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.36547
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear reddish red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.938
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0531
_diffrn_reflns_av_unetI/netI     0.0544
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20549
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.711
_diffrn_reflns_theta_max         24.711
_diffrn_reflns_theta_min         3.519
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      294.28(16)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9595
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -60.00  111.00   1.0000    6.2050
omega____ theta____ kappa____ phi______ frames
    -       26.6744  -19.0000   30.0000 171

#__ type_ start__ end____ width___ exp.time_
  2 omega   35.00  121.00   1.0000    6.2050
omega____ theta____ kappa____ phi______ frames
    -       26.6744  178.0000   60.0000 86

#__ type_ start__ end____ width___ exp.time_
  3 omega  -20.00   82.00   1.0000    6.2050
omega____ theta____ kappa____ phi______ frames
    -       26.6744  -99.0000 -180.0000 102

#__ type_ start__ end____ width___ exp.time_
  4 omega  -20.00   27.00   1.0000    6.2050
omega____ theta____ kappa____ phi______ frames
    -      -27.6119  -99.0000  -90.0000 47

#__ type_ start__ end____ width___ exp.time_
  5 omega  -11.00   23.00   1.0000    6.2050
omega____ theta____ kappa____ phi______ frames
    -       26.6744   57.0000  150.0000 34
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Gemini, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0016619000
_diffrn_orient_matrix_UB_12      -0.0079868000
_diffrn_orient_matrix_UB_13      0.0341596000
_diffrn_orient_matrix_UB_21      0.0032687000
_diffrn_orient_matrix_UB_22      -0.0414475000
_diffrn_orient_matrix_UB_23      -0.0064905000
_diffrn_orient_matrix_UB_31      0.0640693000
_diffrn_orient_matrix_UB_32      0.0019566000
_diffrn_orient_matrix_UB_33      0.0011921000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.785
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                5774
_reflns_number_total             6422
_reflns_odcompleteness_completeness 99.58
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.333
_refine_diff_density_min         -1.473
_refine_diff_density_rms         0.140
_refine_ls_abs_structure_details 
;
 Flack x determined using 2300 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.021(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         6422
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0396
_refine_ls_restrained_S_all      1.042
_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)+(0.0550P)²+2.8540P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.1009
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00F(H00F), C00M(H00M)
2.b Secondary CH2 refined with riding coordinates:
 C00G(H00A,H00B), C00Q(H00E,H00G), C011(H01A,H01B), C013(H01C,H01D), C5(H5A,H5B)
2.c Aromatic/amide H refined with riding coordinates:
 C00C(H00C), C00D(H00D), C00I(H00I), C00L(H00L), C00N(H00N), C00O(H00O),
 C00U(H00U), C00V(H00V), C00W(H00W), C00X(H00X), C00Z(H00Z), C010(H010),
 C012(H012), C014(H014), C015(H015), C016(H016), C017(H017), C018(H018),
 C019(H019), C01A(H01E), C01B(H01F), C01C(H01G), C01D(H01H), C01E(H01I),
 C01F(H01J), C01G(H01K)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 1.02431(4) 0.57656(3) 0.47671(3) 0.03618(16) Uani 1 1 d . . . . .
Pt02 Pt 0.69419(5) 0.44193(4) 0.54015(3) 0.04184(18) Uani 1 1 d . . . . .
Cl00 Cl 0.2706(5) 0.3372(4) 0.6137(4) 0.099(2) Uani 1 1 d . . . . .
O004 O 1.0322(9) 0.5033(7) 0.5580(5) 0.052(3) Uani 1 1 d . . . . .
O005 O 0.8196(15) 0.3705(7) 0.5146(8) 0.109(7) Uani 1 1 d . . . . .
N006 N 1.1641(10) 0.5181(7) 0.4369(6) 0.043(3) Uani 1 1 d . . . . .
N007 N 0.7102(10) 0.5103(7) 0.4588(6) 0.039(3) Uani 1 1 d . . . . .
N008 N 0.8692(10) 0.6272(7) 0.5111(5) 0.036(3) Uani 1 1 d . . . . .
N009 N 0.6984(11) 0.3861(7) 0.6278(6) 0.045(3) Uani 1 1 d . . . . .
C00A C 1.0550(11) 0.6464(9) 0.3999(7) 0.036(3) Uani 1 1 d . . . . .
Cl1 Cl 0.0921(8) 0.2209(6) 0.6441(8) 0.208(6) Uani 1 1 d . . . . .
C00C C 0.4528(12) 0.5332(10) 0.5533(9) 0.054(4) Uani 1 1 d . . . . .
H00C H 0.4556 0.5450 0.5088 0.064 Uiso 1 1 calc R . . . .
C00D C 0.7817(12) 0.4916(9) 0.4100(7) 0.041(4) Uani 1 1 d . . . . .
H00D H 0.7834 0.5281 0.3758 0.049 Uiso 1 1 calc R . . . .
C00E C 0.8936(12) 0.5804(10) 0.6225(7) 0.045(4) Uani 1 1 d . . . . .
C00F C 0.6677(11) 0.5944(8) 0.4605(8) 0.040(3) Uani 1 1 d . . . . .
H00F H 0.6205 0.6017 0.5007 0.047 Uiso 1 1 calc R . . . .
C00G C 0.6381(15) 0.7606(10) 0.4192(8) 0.054(4) Uani 1 1 d . . . . .
H00A H 0.6032 0.8123 0.4292 0.065 Uiso 1 1 calc R . . . .
H00B H 0.6834 0.7657 0.3787 0.065 Uiso 1 1 calc R . . . .
C00H C 0.8570(12) 0.4237(10) 0.4016(7) 0.044(4) Uani 1 1 d . . . . .
C00I C 0.3544(14) 0.5589(10) 0.5896(9) 0.058(5) Uani 1 1 d . . . . .
H00I H 0.2936 0.5884 0.5696 0.070 Uiso 1 1 calc R . . . .
C00J C 0.8791(14) 0.3696(10) 0.4498(10) 0.052(4) Uani 1 1 d . . . . .
C00K C 0.5298(14) 0.4684(9) 0.6475(8) 0.046(4) Uani 1 1 d . . . . .
C00L C 1.0129(14) 0.4742(10) 0.6686(8) 0.050(4) Uani 1 1 d . . . . .
H00L H 1.0680 0.4328 0.6636 0.060 Uiso 1 1 calc R . . . .
C00M C 0.7744(10) 0.6538(7) 0.4623(7) 0.034(3) Uani 1 1 d . . . . .
H00M H 0.8120 0.6537 0.4188 0.041 Uiso 1 1 calc R . . . .
C00N C 1.2121(14) 0.4526(10) 0.4596(9) 0.059(4) Uani 1 1 d . . . . .
H00N H 1.1835 0.4343 0.4998 0.071 Uiso 1 1 calc R . . . .
C00O C 0.8337(13) 0.6217(9) 0.5684(8) 0.046(4) Uani 1 1 d . . . . .
H00O H 0.7608 0.6466 0.5782 0.055 Uiso 1 1 calc R . . . .
C00P C 0.9846(13) 0.5212(9) 0.6135(7) 0.041(3) Uani 1 1 d . . . . .
C00Q C 0.7256(12) 0.7377(8) 0.4745(7) 0.040(3) Uani 1 1 d . . . . .
H00E H 0.7920 0.7754 0.4760 0.048 Uiso 1 1 calc R . . . .
H00G H 0.6839 0.7394 0.5163 0.048 Uiso 1 1 calc R . . . .
C00R C 1.1998(13) 0.5428(10) 0.3753(8) 0.052(4) Uani 1 1 d . . . . .
C00S C 1.1439(12) 0.6178(9) 0.3565(7) 0.038(3) Uani 1 1 d . . . . .
C00T C 0.6168(13) 0.4100(10) 0.6712(8) 0.046(4) Uani 1 1 d . . . . .
C00U C 1.2868(13) 0.4993(11) 0.3428(9) 0.059(5) Uani 1 1 d . . . . .
H00U H 1.3125 0.5165 0.3017 0.071 Uiso 1 1 calc R . . . .
C00V C 0.9212(13) 0.4207(10) 0.3414(7) 0.050(4) Uani 1 1 d . . . . .
H00V H 0.9068 0.4595 0.3097 0.060 Uiso 1 1 calc R . . . .
C00W C 1.0130(12) 0.7241(9) 0.3876(8) 0.045(4) Uani 1 1 d . . . . .
H00W H 0.9569 0.7464 0.4161 0.054 Uiso 1 1 calc R . . . .
C00X C 0.7856(15) 0.3313(11) 0.6446(9) 0.056(4) Uani 1 1 d . . . . .
H00X H 0.8441 0.3168 0.6142 0.067 Uiso 1 1 calc R . . . .
C00Y C 0.5470(12) 0.4906(9) 0.5807(8) 0.042(4) Uani 1 1 d . . . . .
C00Z C 1.0528(14) 0.7688(11) 0.3338(9) 0.057(5) Uani 1 1 d . . . . .
H00Z H 1.0247 0.8205 0.3275 0.068 Uiso 1 1 calc R . . . .
C010 C 1.3355(15) 0.4334(12) 0.3681(10) 0.070(5) Uani 1 1 d . . . . .
H010 H 1.3927 0.4042 0.3448 0.084 Uiso 1 1 calc R . . . .
C011 C 0.5387(15) 0.7027(11) 0.4090(9) 0.062(5) Uani 1 1 d . . . . .
H01A H 0.4944 0.7168 0.3696 0.074 Uiso 1 1 calc R . . . .
H01B H 0.4831 0.7054 0.4457 0.074 Uiso 1 1 calc R . . . .
C012 C 1.0241(16) 0.3043(11) 0.3779(10) 0.064(5) Uani 1 1 d . . . . .
H012 H 1.0774 0.2627 0.3694 0.077 Uiso 1 1 calc R . . . .
C013 C 0.5868(13) 0.6167(10) 0.4023(8) 0.044(4) Uani 1 1 d . . . . .
H01C H 0.5192 0.5800 0.4000 0.053 Uiso 1 1 calc R . . . .
H01D H 0.6327 0.6120 0.3619 0.053 Uiso 1 1 calc R . . . .
C014 C 0.3464(15) 0.5409(10) 0.6551(9) 0.059(5) Uani 1 1 d . . . . .
H014 H 0.2822 0.5601 0.6800 0.070 Uiso 1 1 calc R . . . .
C015 C 1.1812(14) 0.6625(11) 0.3027(7) 0.053(4) Uani 1 1 d . . . . .
H015 H 1.2397 0.6418 0.2747 0.063 Uiso 1 1 calc R . . . .
C016 C 0.7869(15) 0.2983(10) 0.7050(9) 0.059(5) Uani 1 1 d . . . . .
H016 H 0.8448 0.2601 0.7152 0.071 Uiso 1 1 calc R . . . .
C017 C 1.1341(15) 0.7357(11) 0.2901(8) 0.056(4) Uani 1 1 d . . . . .
H017 H 1.1563 0.7632 0.2524 0.067 Uiso 1 1 calc R . . . .
C018 C 1.0031(16) 0.3626(11) 0.3290(9) 0.065(5) Uani 1 1 d . . . . .
H018 H 1.0446 0.3611 0.2894 0.078 Uiso 1 1 calc R . . . .
C019 C 0.7025(16) 0.3209(10) 0.7521(8) 0.056(4) Uani 1 1 d . . . . .
H019 H 0.7035 0.2983 0.7938 0.067 Uiso 1 1 calc R . . . .
C01A C 0.4330(14) 0.4949(10) 0.6833(9) 0.051(4) Uani 1 1 d . . . . .
H01E H 0.4264 0.4812 0.7273 0.061 Uiso 1 1 calc R . . . .
C01B C 0.8438(16) 0.5926(11) 0.6861(8) 0.063(5) Uani 1 1 d . . . . .
H01F H 0.7863 0.6323 0.6924 0.076 Uiso 1 1 calc R . . . .
C01C C 0.9642(15) 0.4862(11) 0.7281(9) 0.060(5) Uani 1 1 d . . . . .
H01G H 0.9874 0.4538 0.7629 0.072 Uiso 1 1 calc R . . . .
C01D C 0.6188(15) 0.3767(11) 0.7360(8) 0.054(4) Uani 1 1 d . . . . .
H01H H 0.5626 0.3934 0.7671 0.065 Uiso 1 1 calc R . . . .
C01E C 0.9682(17) 0.3082(10) 0.4363(10) 0.066(5) Uani 1 1 d . . . . .
H01I H 0.9868 0.2709 0.4685 0.080 Uiso 1 1 calc R . . . .
C01F C 1.2984(16) 0.4093(12) 0.4306(11) 0.075(6) Uani 1 1 d . . . . .
H01J H 1.3323 0.3652 0.4511 0.090 Uiso 1 1 calc R . . . .
C01G C 0.8801(16) 0.5460(14) 0.7386(8) 0.072(6) Uani 1 1 d . . . . .
H01K H 0.8484 0.5547 0.7803 0.087 Uiso 1 1 calc R . . . .
C5 C 0.156(2) 0.2794(15) 0.5838(13) 0.097(7) Uani 1 1 d . . . . .
H5A H 0.1875 0.2455 0.5492 0.117 Uiso 1 1 calc R . . . .
H5B H 0.0945 0.3135 0.5649 0.117 Uiso 1 1 calc R . . . .


_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
Pt01 O004 2.065(11) . ?
Pt01 N006 2.003(12) . ?
Pt01 N008 2.039(11) . ?
Pt01 C00A 1.985(15) . ?
Pt02 O005 1.91(2) . ?
Pt02 N007 2.024(12) . ?
Pt02 N009 2.017(13) . ?
Pt02 C00Y 2.000(15) . ?
Cl00 C5 1.71(2) . ?
O004 C00P 1.283(17) . ?
O005 C00J 1.47(3) . ?
N006 C00N 1.305(19) . ?
N006 C00R 1.38(2) . ?
N007 C00D 1.309(18) . ?
N007 C00F 1.487(16) . ?
N008 C00M 1.512(16) . ?
N008 C00O 1.237(18) . ?
N009 C00T 1.328(19) . ?
N009 C00X 1.38(2) . ?
C00A C00S 1.406(19) . ?
C00A C00W 1.41(2) . ?
Cl1 C5 1.73(3) . ?
C00C H00C 0.9300 . ?
C00C C00I 1.38(2) . ?
C00C C00Y 1.38(2) . ?
C00D H00D 0.9300 . ?
C00D C00H 1.42(2) . ?
C00E C00O 1.46(2) . ?
C00E C00P 1.43(2) . ?
C00E C01B 1.42(2) . ?
C00F H00F 0.9800 . ?
C00F C00M 1.546(17) . ?
C00F C013 1.532(19) . ?
C00G H00A 0.9700 . ?
C00G H00B 0.9700 . ?
C00G C00Q 1.53(2) . ?
C00G C011 1.48(2) . ?
C00H C00J 1.36(2) . ?
C00H C00V 1.42(2) . ?
C00I H00I 0.9300 . ?
C00I C014 1.37(2) . ?
C00J C01E 1.45(2) . ?
C00K C00T 1.46(2) . ?
C00K C00Y 1.42(2) . ?
C00K C01A 1.37(2) . ?
C00L H00L 0.9300 . ?
C00L C00P 1.41(2) . ?
C00L C01C 1.34(2) . ?
C00M H00M 0.9800 . ?
C00M C00Q 1.527(17) . ?
C00N H00N 0.9300 . ?
C00N C01F 1.34(2) . ?
C00O H00O 0.9300 . ?
C00Q H00E 0.9700 . ?
C00Q H00G 0.9700 . ?
C00R C00S 1.45(2) . ?
C00R C00U 1.38(2) . ?
C00S C015 1.39(2) . ?
C00T C01D 1.43(2) . ?
C00U H00U 0.9300 . ?
C00U C010 1.33(3) . ?
C00V H00V 0.9300 . ?
C00V C018 1.35(2) . ?
C00W H00W 0.9300 . ?
C00W C00Z 1.40(2) . ?
C00X H00X 0.9300 . ?
C00X C016 1.35(2) . ?
C00Z H00Z 0.9300 . ?
C00Z C017 1.38(2) . ?
C010 H010 0.9300 . ?
C010 C01F 1.40(3) . ?
C011 H01A 0.9700 . ?
C011 H01B 0.9700 . ?
C011 C013 1.54(2) . ?
C012 H012 0.9300 . ?
C012 C018 1.42(3) . ?
C012 C01E 1.34(3) . ?
C013 H01C 0.9700 . ?
C013 H01D 0.9700 . ?
C014 H014 0.9300 . ?
C014 C01A 1.36(2) . ?
C015 H015 0.9300 . ?
C015 C017 1.36(2) . ?
C016 H016 0.9300 . ?
C016 C019 1.39(2) . ?
C017 H017 0.9300 . ?
C018 H018 0.9300 . ?
C019 H019 0.9300 . ?
C019 C01D 1.36(2) . ?
C01A H01E 0.9300 . ?
C01B H01F 0.9300 . ?
C01B C01G 1.39(3) . ?
C01C H01G 0.9300 . ?
C01C C01G 1.38(3) . ?
C01D H01H 0.9300 . ?
C01E H01I 0.9300 . ?
C01F H01J 0.9300 . ?
C01G H01K 0.9300 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?

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
N006 Pt01 O004 90.1(5) . . ?
N006 Pt01 N008 173.2(4) . . ?
N008 Pt01 O004 90.5(4) . . ?
C00A Pt01 O004 167.7(5) . . ?
C00A Pt01 N006 80.6(5) . . ?
C00A Pt01 N008 99.7(5) . . ?
O005 Pt02 N007 93.9(5) . . ?
O005 Pt02 N009 86.2(6) . . ?
O005 Pt02 C00Y 164.2(6) . . ?
N009 Pt02 N007 170.5(5) . . ?
C00Y Pt02 N007 100.3(5) . . ?
C00Y Pt02 N009 80.9(6) . . ?
C00P O004 Pt01 123.4(9) . . ?
C00J O005 Pt02 125.2(10) . . ?
C00N N006 Pt01 125.6(12) . . ?
C00N N006 C00R 117.4(15) . . ?
C00R N006 Pt01 116.3(10) . . ?
C00D N007 Pt02 122.6(10) . . ?
C00D N007 C00F 115.8(12) . . ?
C00F N007 Pt02 119.4(9) . . ?
C00M N008 Pt01 118.7(8) . . ?
C00O N008 Pt01 124.1(11) . . ?
C00O N008 C00M 115.1(12) . . ?
C00T N009 Pt02 115.8(10) . . ?
C00T N009 C00X 120.7(14) . . ?
C00X N009 Pt02 123.2(11) . . ?
C00S C00A Pt01 114.5(10) . . ?
C00S C00A C00W 115.8(14) . . ?
C00W C00A Pt01 129.1(11) . . ?
C00I C00C H00C 118.8 . . ?
C00Y C00C H00C 118.8 . . ?
C00Y C00C C00I 122.5(17) . . ?
N007 C00D H00D 115.2 . . ?
N007 C00D C00H 129.7(14) . . ?
C00H C00D H00D 115.2 . . ?
C00P C00E C00O 123.6(13) . . ?
C01B C00E C00O 116.3(14) . . ?
C01B C00E C00P 119.4(14) . . ?
N007 C00F H00F 107.8 . . ?
N007 C00F C00M 111.8(10) . . ?
N007 C00F C013 113.5(12) . . ?
C00M C00F H00F 107.8 . . ?
C013 C00F H00F 107.8 . . ?
C013 C00F C00M 107.8(12) . . ?
H00A C00G H00B 107.6 . . ?
C00Q C00G H00A 108.7 . . ?
C00Q C00G H00B 108.7 . . ?
C011 C00G H00A 108.7 . . ?
C011 C00G H00B 108.7 . . ?
C011 C00G C00Q 114.0(14) . . ?
C00J C00H C00D 123.5(14) . . ?
C00J C00H C00V 120.8(16) . . ?
C00V C00H C00D 115.2(15) . . ?
C00C C00I H00I 119.9 . . ?
C014 C00I C00C 120.2(17) . . ?
C014 C00I H00I 119.9 . . ?
C00H C00J O005 124.1(15) . . ?
C00H C00J C01E 117.2(17) . . ?
C01E C00J O005 118.7(16) . . ?
C00Y C00K C00T 113.9(14) . . ?
C01A C00K C00T 123.9(15) . . ?
C01A C00K C00Y 121.9(16) . . ?
C00P C00L H00L 118.3 . . ?
C01C C00L H00L 118.3 . . ?
C01C C00L C00P 123.3(15) . . ?
N008 C00M C00F 110.7(11) . . ?
N008 C00M H00M 107.5 . . ?
N008 C00M C00Q 114.2(11) . . ?
C00F C00M H00M 107.5 . . ?
C00Q C00M C00F 109.2(10) . . ?
C00Q C00M H00M 107.5 . . ?
N006 C00N H00N 116.9 . . ?
N006 C00N C01F 126.1(19) . . ?
C01F C00N H00N 116.9 . . ?
N008 C00O C00E 127.3(15) . . ?
N008 C00O H00O 116.4 . . ?
C00E C00O H00O 116.4 . . ?
O004 C00P C00E 124.5(13) . . ?
O004 C00P C00L 118.8(14) . . ?
C00L C00P C00E 116.3(13) . . ?
C00G C00Q H00E 109.8 . . ?
C00G C00Q H00G 109.8 . . ?
C00M C00Q C00G 109.5(12) . . ?
C00M C00Q H00E 109.8 . . ?
C00M C00Q H00G 109.8 . . ?
H00E C00Q H00G 108.2 . . ?
N006 C00R C00S 112.2(14) . . ?
C00U C00R N006 118.5(16) . . ?
C00U C00R C00S 129.0(16) . . ?
C00A C00S C00R 115.3(14) . . ?
C015 C00S C00A 121.3(14) . . ?
C015 C00S C00R 123.2(14) . . ?
N009 C00T C00K 115.5(14) . . ?
N009 C00T C01D 119.1(15) . . ?
C01D C00T C00K 125.4(15) . . ?
C00R C00U H00U 118.8 . . ?
C010 C00U C00R 122.4(18) . . ?
C010 C00U H00U 118.8 . . ?
C00H C00V H00V 119.3 . . ?
C018 C00V C00H 121.4(17) . . ?
C018 C00V H00V 119.3 . . ?
C00A C00W H00W 118.9 . . ?
C00Z C00W C00A 122.2(15) . . ?
C00Z C00W H00W 118.9 . . ?
N009 C00X H00X 119.7 . . ?
C016 C00X N009 120.6(17) . . ?
C016 C00X H00X 119.7 . . ?
C00C C00Y Pt02 131.1(13) . . ?
C00C C00Y C00K 114.9(14) . . ?
C00K C00Y Pt02 113.4(11) . . ?
C00W C00Z H00Z 120.2 . . ?
C017 C00Z C00W 119.6(17) . . ?
C017 C00Z H00Z 120.2 . . ?
C00U C010 H010 120.9 . . ?
C00U C010 C01F 118.2(17) . . ?
C01F C010 H010 120.9 . . ?
C00G C011 H01A 109.3 . . ?
C00G C011 H01B 109.3 . . ?
C00G C011 C013 111.7(13) . . ?
H01A C011 H01B 107.9 . . ?
C013 C011 H01A 109.3 . . ?
C013 C011 H01B 109.3 . . ?
C018 C012 H012 119.5 . . ?
C01E C012 H012 119.5 . . ?
C01E C012 C018 121.0(16) . . ?
C00F C013 C011 111.2(13) . . ?
C00F C013 H01C 109.4 . . ?
C00F C013 H01D 109.4 . . ?
C011 C013 H01C 109.4 . . ?
C011 C013 H01D 109.4 . . ?
H01C C013 H01D 108.0 . . ?
C00I C014 H014 120.3 . . ?
C01A C014 C00I 119.4(17) . . ?
C01A C014 H014 120.3 . . ?
C00S C015 H015 119.2 . . ?
C017 C015 C00S 121.5(15) . . ?
C017 C015 H015 119.2 . . ?
C00X C016 H016 119.6 . . ?
C00X C016 C019 120.7(16) . . ?
C019 C016 H016 119.6 . . ?
C00Z C017 H017 120.3 . . ?
C015 C017 C00Z 119.4(16) . . ?
C015 C017 H017 120.3 . . ?
C00V C018 C012 118.5(16) . . ?
C00V C018 H018 120.8 . . ?
C012 C018 H018 120.8 . . ?
C016 C019 H019 120.7 . . ?
C01D C019 C016 118.6(15) . . ?
C01D C019 H019 120.7 . . ?
C00K C01A H01E 119.6 . . ?
C014 C01A C00K 120.7(17) . . ?
C014 C01A H01E 119.6 . . ?
C00E C01B H01F 119.7 . . ?
C01G C01B C00E 120.7(16) . . ?
C01G C01B H01F 119.7 . . ?
C00L C01C H01G 119.4 . . ?
C00L C01C C01G 121.2(16) . . ?
C01G C01C H01G 119.4 . . ?
C00T C01D H01H 119.9 . . ?
C019 C01D C00T 120.2(16) . . ?
C019 C01D H01H 119.9 . . ?
C00J C01E H01I 119.5 . . ?
C012 C01E C00J 121.0(18) . . ?
C012 C01E H01I 119.5 . . ?
C00N C01F C010 117.2(19) . . ?
C00N C01F H01J 121.4 . . ?
C010 C01F H01J 121.4 . . ?
C01B C01G H01K 120.5 . . ?
C01C C01G C01B 118.9(16) . . ?
C01C C01G H01K 120.5 . . ?
Cl00 C5 Cl1 111.9(15) . . ?
Cl00 C5 H5A 109.2 . . ?
Cl00 C5 H5B 109.2 . . ?
Cl1 C5 H5A 109.2 . . ?
Cl1 C5 H5B 109.2 . . ?
H5A C5 H5B 107.9 . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_date_sample_data_collection 2016-10-12
_olex2_submission_special_instructions 'No special instructions were received'
