# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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. 
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data_20230203-pordimer-anti--chcl3-hex
_database_code_depnum_ccdc_archive 'CCDC 2386890'
loop_
_audit_author_name
_audit_author_address
'Ryo Inoue'
;University of Hyogo
Japan
;
_audit_update_record             
;
2024-12-03 deposited with the CCDC.	2024-12-10 downloaded from the CCDC.
;
_audit_creation_date             2024-12-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C78 H58 N8 O2 Pt2, 4(C H Cl3)'
_chemical_formula_sum            'C82 H62 Cl12 N8 O2 Pt2'
_chemical_formula_weight         2006.97
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         C82H62Cl12N8O2Pt2
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'
Cl Cl 0.1484 0.1585 '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           18
_space_group_name_H-M_alt        'P 21 21 2'
_space_group_name_Hall           'P 2 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'

_cell_length_a                   19.3188(3)
_cell_length_b                   19.1158(3)
_cell_length_c                   10.62740(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3924.64(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    31879
_cell_measurement_temperature    150
_cell_measurement_theta_max      29.6590
_cell_measurement_theta_min      2.1890
_shelx_estimated_absorpt_T_max   0.500
_shelx_estimated_absorpt_T_min   0.238
_exptl_absorpt_coefficient_mu    4.023
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44040
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1972
_exptl_crystal_preparation       CHCl3/hexane
_exptl_crystal_recrystallization_method CHCl3/hexane
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0359
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.949
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            38932
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.921
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.567
_diffrn_reflns_theta_min         2.362
_diffrn_ambient_temperature      150
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -88.00  74.00   0.50    0.50    --  -16.00  45.00 220.00  324
  2  ω    -76.00  74.00   0.50    0.50    --  -16.00  45.00 -20.00  300
  3  ω      8.50  74.00   0.50    0.50    --  -16.00  45.00  60.00  131
  4  ω     24.00  64.00   0.50    0.50    --  -16.00  45.00 140.00   80
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0146635000
_diffrn_orient_matrix_UB_12      -0.0306287000
_diffrn_orient_matrix_UB_13      -0.0267287000
_diffrn_orient_matrix_UB_21      0.0232561000
_diffrn_orient_matrix_UB_22      0.0024990000
_diffrn_orient_matrix_UB_23      -0.0513810000
_diffrn_orient_matrix_UB_31      0.0243522000
_diffrn_orient_matrix_UB_32      -0.0208422000
_diffrn_orient_matrix_UB_33      0.0330295000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.757
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.886
_reflns_number_gt                9703
_reflns_number_total             10138
_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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.980
_refine_diff_density_min         -1.067
_refine_diff_density_rms         0.106
_refine_ls_abs_structure_details 
;
 Flack x determined using 4047 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.025(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     526
_refine_ls_number_reflns         10138
_refine_ls_number_restraints     180
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0307
_refine_ls_restrained_S_all      1.052
_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)+(0.0491P)²+3.7772P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0772
_refine_ls_wR_factor_ref         0.0784
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Cl3-C8 \\sim Cl3A-C8A
 with sigma of 0.02
 Cl4-C8 \\sim Cl4A-C8A
 with sigma of 0.02
 Cl5-C8 \\sim Cl5A-C8A
 with sigma of 0.02
 Cl3-Cl4 \\sim Cl3A-Cl4A
 with sigma of 0.04
 Cl3-Cl5 \\sim Cl3A-Cl5A
 with sigma of 0.04
 Cl4-Cl5 \\sim Cl4A-Cl5A
 with sigma of 0.04
 Cl4-C8 \\sim Cl4A-C8A \\sim Cl3A-C8A \\sim Cl3-C8 \\sim Cl5A-C8A \\sim Cl5-C8
 with sigma of 0.01
 Cl2-C10 \\sim Cl2A-C10A
 with sigma of 0.02
 Cl-C10 \\sim ClA-C10A
 with sigma of 0.02
 Cl1-C10 \\sim Cl1A-C10A
 with sigma of 0.02
 Cl2-Cl \\sim Cl2A-ClA
 with sigma of 0.04
 Cl2-Cl1 \\sim Cl2A-Cl1A
 with sigma of 0.04
 Cl-Cl1 \\sim ClA-Cl1A
 with sigma of 0.04
 Cl2A-C10A \\sim Cl2-C10 \\sim Cl-C10 \\sim ClA-C10A \\sim Cl1A-C10A \\sim
Cl1-C10
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Cl3 \\sim Cl4 \\sim Cl5 \\sim C8 \\sim C8A \\sim Cl5A \\sim Cl4A \\sim Cl3A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(Cl2) \\sim Ueq, Uanis(Cl) \\sim Ueq, Uanis(Cl1) \\sim Ueq, Uanis(C10)
\\sim Ueq, Uanis(ClA) \\sim Ueq, Uanis(C10A) \\sim Ueq, Uanis(Cl1A) \\sim Ueq,
Uanis(Cl2A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl3) = Uanis(Cl3A)
Uanis(C10A) = Uanis(C10)
Uanis(Cl1) = Uanis(Cl1A)
Uanis(Cl2) = Uanis(Cl2A)
Uanis(Cl) = Uanis(ClA)
4. Others
 Sof(C8A)=Sof(H8A)=Sof(Cl5A)=Sof(Cl4A)=Sof(Cl3A)=1-FVAR(1)
 Sof(Cl3)=Sof(Cl4)=Sof(Cl5)=Sof(C8)=Sof(H8)=FVAR(1)
 Sof(ClA)=Sof(C10A)=Sof(H10A)=Sof(Cl1A)=Sof(Cl2A)=1-FVAR(2)
 Sof(Cl2)=Sof(Cl)=Sof(Cl1)=Sof(C10)=Sof(H10)=FVAR(2)
5.a Ternary CH refined with riding coordinates:
 C8(H8), C10(H10), C8A(H8A), C10A(H10A)
5.b Aromatic/amide H refined with riding coordinates:
 C008(H008), C00A(H00A), C00E(H00E), C00I(H00I), C00L(H00L), C00P(H00P),
 C00R(H00R), C00S(H00S), C00T(H00T), C00W(H00W), C011(H011), C014(H014),
 C016(H016), C017(H017), C018(H018), C01B(H01G), C01E(H01K)
5.c Idealised Me refined as rotating group:
 C010(H01A,H01B,H01C), C01A(H01D,H01E,H01F), C01C(H01H,H01I,H01J), C01G(H01L,
 H01M,H01N)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.53597(2) 0.35252(2) 0.28178(2) 0.02081(6) Uani 1 1 d . . . . .
N002 N 0.4702(2) 0.3275(2) 0.1418(4) 0.0227(9) Uani 1 1 d . . . . .
N003 N 0.4562(2) 0.3894(2) 0.3826(4) 0.0220(9) Uani 1 1 d . . . . .
C004 C 0.5182(3) 0.4255(3) 0.5742(5) 0.0236(11) Uani 1 1 d . . . . .
N006 N 0.6012(2) 0.3757(2) 0.4236(4) 0.0237(9) Uani 1 1 d . . . . .
C007 C 0.5095(3) 0.4644(3) 0.6970(5) 0.0231(10) Uani 1 1 d . . . . .
C008 C 0.5189(3) 0.4306(3) 0.8117(5) 0.0274(12) Uani 1 1 d . . . . .
H008 H 0.531942 0.382638 0.812227 0.033 Uiso 1 1 calc R U . . .
C009 C 0.4597(3) 0.4149(3) 0.5036(5) 0.0245(10) Uani 1 1 d . . . . .
C00A C 0.5096(4) 0.4650(3) 0.9248(6) 0.0315(13) Uani 1 1 d . . . . .
H00A H 0.516421 0.440924 1.002024 0.038 Uiso 1 1 calc R U . . .
O00B O 1.0033(3) 0.3274(3) 0.3851(7) 0.0622(19) Uani 1 1 d . . . . .
Cl2 Cl 0.7442(3) 0.0803(4) 0.2332(6) 0.140(2) Uani 0.849(5) 1 d D U P A 1
C00E C 0.3897(3) 0.4321(3) 0.5442(5) 0.0277(11) Uani 1 1 d . . . . .
H00E H 0.376658 0.448819 0.624965 0.033 Uiso 1 1 calc R U . . .
N00F N 0.6161(3) 0.3157(3) 0.1799(5) 0.0295(11) Uani 1 1 d . . . . .
C00G C 0.4004(3) 0.3422(3) 0.1359(5) 0.0265(11) Uani 1 1 d . . . . .
C00H C 0.5844(3) 0.4043(3) 0.5389(5) 0.0236(11) Uani 1 1 d . . . . .
C00I C 0.3725(3) 0.3169(3) 0.0190(6) 0.0298(12) Uani 1 1 d . . . . .
H00I H 0.325867 0.320959 -0.008551 0.036 Uiso 1 1 calc R U . . .
C00J C 0.3608(3) 0.3739(3) 0.2291(6) 0.0262(11) Uani 1 1 d . . . . .
C00K C 0.6724(3) 0.3658(3) 0.4254(5) 0.0256(11) Uani 1 1 d . . . . .
C00L C 0.3470(3) 0.4202(3) 0.4475(6) 0.0309(13) Uani 1 1 d . . . . .
H00L H 0.298437 0.428290 0.446485 0.037 Uiso 1 1 calc R U . . .
C00M C 0.4864(3) 0.2934(3) 0.0322(5) 0.0283(12) Uani 1 1 d . . . . .
C00N C 0.3873(3) 0.3934(3) 0.3465(6) 0.0260(11) Uani 1 1 d . . . . .
C00O C 0.7116(3) 0.3400(3) 0.3261(6) 0.0313(13) Uani 1 1 d . . . . .
C00P C 0.8925(4) 0.2668(4) 0.3833(6) 0.0360(14) Uani 1 1 d . . . . .
H00P H 0.913488 0.222922 0.400865 0.043 Uiso 1 1 calc R U . . .
Cl Cl 0.6190(4) 0.1526(4) 0.2671(8) 0.171(3) Uani 0.849(5) 1 d D U P A 1
C00R C 0.5524(4) 0.2742(4) -0.0037(6) 0.0367(15) Uani 1 1 d . . . . .
H00R H 0.556774 0.250316 -0.081689 0.044 Uiso 1 1 calc R U . . .
C00S C 0.6461(3) 0.4102(3) 0.6151(6) 0.0295(12) Uani 1 1 d . . . . .
H00S H 0.648679 0.427256 0.698903 0.035 Uiso 1 1 calc R U . . .
C00T C 0.4252(3) 0.2864(3) -0.0442(6) 0.0327(13) Uani 1 1 d . . . . .
H00T H 0.422368 0.264342 -0.124164 0.039 Uiso 1 1 calc R U . . .
C00U C 0.6848(3) 0.3172(3) 0.2115(7) 0.0332(13) Uani 1 1 d . . . . .
Cl1 Cl 0.6539(3) 0.0565(5) 0.4520(7) 0.183(3) Uani 0.849(5) 1 d D U P A 1
C00W C 0.8207(3) 0.2715(3) 0.3671(6) 0.0322(13) Uani 1 1 d . . . . .
H00W H 0.793200 0.230342 0.372236 0.039 Uiso 1 1 calc R U . . .
C00X C 0.2868(3) 0.3901(3) 0.2031(6) 0.0279(11) Uani 1 1 d . . . . .
C00Y C 0.6124(4) 0.2862(3) 0.0628(6) 0.0343(13) Uani 1 1 d . . . . .
C00Z C 0.9327(3) 0.3266(4) 0.3734(8) 0.0412(17) Uani 1 1 d . . . . .
C010 C 1.0352(4) 0.2658(5) 0.4296(9) 0.061(2) Uani 1 1 d . . . . .
H01A H 1.025995 0.227301 0.370959 0.091 Uiso 1 1 calc R U . . .
H01B H 1.016650 0.253962 0.512690 0.091 Uiso 1 1 calc R U . . .
H01C H 1.085308 0.273253 0.435912 0.091 Uiso 1 1 calc R U . . .
C011 C 0.6994(3) 0.3868(3) 0.5447(6) 0.0318(13) Uani 1 1 d . . . . .
H011 H 0.746509 0.384643 0.570008 0.038 Uiso 1 1 calc R U . . .
C013 C 0.2337(3) 0.3470(4) 0.2475(6) 0.0344(13) Uani 1 1 d . . . . .
C014 C 0.1654(3) 0.3646(4) 0.2243(7) 0.0397(14) Uani 1 1 d . . . . .
H014 H 0.129502 0.335684 0.256288 0.048 Uiso 1 1 calc R U . . .
C015 C 0.2705(3) 0.4511(4) 0.1353(7) 0.0374(14) Uani 1 1 d . . . . .
C016 C 0.6816(4) 0.2696(5) 0.0187(7) 0.0490(19) Uani 1 1 d . . . . .
H016 H 0.693665 0.248732 -0.059408 0.059 Uiso 1 1 calc R U . . .
C017 C 0.9013(4) 0.3905(4) 0.3526(10) 0.055(2) Uani 1 1 d . . . . .
H017 H 0.928797 0.431650 0.347778 0.066 Uiso 1 1 calc R U . . .
C018 C 0.8307(4) 0.3953(4) 0.3388(10) 0.052(2) Uani 1 1 d . . . . .
H018 H 0.809832 0.439716 0.325746 0.063 Uiso 1 1 calc R U . . .
C019 C 0.1485(4) 0.4236(4) 0.1554(8) 0.0451(17) Uani 1 1 d . . . . .
C01A C 0.3272(4) 0.4992(4) 0.0915(10) 0.056(2) Uani 1 1 d . . . . .
H01D H 0.351939 0.517997 0.164550 0.085 Uiso 1 1 calc R U . . .
H01E H 0.307063 0.537848 0.043116 0.085 Uiso 1 1 calc R U . . .
H01F H 0.359585 0.473168 0.038135 0.085 Uiso 1 1 calc R U . . .
C01B C 0.2010(4) 0.4662(4) 0.1114(8) 0.0458(17) Uani 1 1 d . . . . .
H01G H 0.189511 0.506598 0.063754 0.055 Uiso 1 1 calc R U . . .
C01C C 0.2490(4) 0.2820(4) 0.3240(8) 0.0492(19) Uani 1 1 d . . . . .
H01H H 0.292214 0.260732 0.294242 0.074 Uiso 1 1 calc R U . . .
H01I H 0.211021 0.248434 0.314303 0.074 Uiso 1 1 calc R U . . .
H01J H 0.253807 0.294607 0.412939 0.074 Uiso 1 1 calc R U . . .
C01D C 0.7891(3) 0.3353(3) 0.3437(7) 0.0339(13) Uani 1 1 d . . . . .
C01E C 0.7252(4) 0.2897(4) 0.1107(7) 0.0425(16) Uani 1 1 d . . . . .
H01K H 0.774231 0.286181 0.108776 0.051 Uiso 1 1 calc R U . . .
C01G C 0.0739(4) 0.4415(7) 0.1294(11) 0.073(3) Uani 1 1 d . . . . .
H01L H 0.049642 0.399706 0.099193 0.109 Uiso 1 1 calc R U . . .
H01M H 0.071635 0.478166 0.065132 0.109 Uiso 1 1 calc R U . . .
H01N H 0.051997 0.458150 0.206925 0.109 Uiso 1 1 calc R U . . .
Cl3 Cl 0.4050(7) 0.1602(5) 0.3267(9) 0.111(3) Uani 0.691(9) 1 d D U P B 1
Cl4 Cl 0.3000(3) 0.1140(4) 0.1493(6) 0.108(2) Uani 0.691(9) 1 d D U P B 1
Cl5 Cl 0.4399(3) 0.0980(4) 0.0829(8) 0.140(3) Uani 0.691(9) 1 d D U P B 1
C8 C 0.3826(5) 0.1468(11) 0.1723(13) 0.107(4) Uani 0.691(9) 1 d D U P B 1
H8 H 0.382286 0.194336 0.133018 0.129 Uiso 0.691(9) 1 calc R U P B 1
C10 C 0.6610(7) 0.0750(9) 0.2925(12) 0.115(6) Uani 0.849(5) 1 d D U P A 1
H10 H 0.635857 0.037684 0.244948 0.138 Uiso 0.849(5) 1 calc R U P A 1
C8A C 0.4226(13) 0.1261(13) 0.181(3) 0.127(5) Uani 0.309(9) 1 d D U P B 2
H8A H 0.451516 0.165847 0.149662 0.152 Uiso 0.309(9) 1 calc R U P B 2
Cl5A Cl 0.4680(8) 0.0479(7) 0.1892(19) 0.142(5) Uani 0.309(9) 1 d D U P B 2
Cl4A Cl 0.3421(12) 0.1221(11) 0.108(2) 0.150(5) Uani 0.309(9) 1 d D U P B 2
Cl3A Cl 0.4026(18) 0.1328(12) 0.338(2) 0.111(3) Uani 0.309(9) 1 d D U P B 2
ClA Cl 0.594(2) 0.108(2) 0.209(4) 0.171(3) Uani 0.151(5) 1 d D U P A 2
C10A C 0.6436(19) 0.090(3) 0.340(4) 0.115(6) Uani 0.151(5) 1 d D U P A 2
H10A H 0.667028 0.133344 0.368596 0.138 Uiso 0.151(5) 1 calc R U P A 2
Cl1A Cl 0.5778(16) 0.069(3) 0.444(3) 0.183(3) Uani 0.151(5) 1 d D U P A 2
Cl2A Cl 0.7059(17) 0.028(2) 0.301(3) 0.140(2) Uani 0.151(5) 1 d D U P A 2


_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 N002 2.014(5) . ?
Pt01 N003 2.005(4) . ?
Pt01 N006 2.015(5) . ?
Pt01 N00F 2.015(5) . ?
N002 C00G 1.378(7) . ?
N002 C00M 1.371(7) . ?
N003 C009 1.377(7) . ?
N003 C00N 1.387(7) . ?
C004 C007 1.511(7) . ?
C004 C009 1.372(8) . ?
C004 C00H 1.392(8) . ?
N006 C00H 1.380(7) . ?
N006 C00K 1.387(7) . ?
C007 C007 1.409(11) 2_665 ?
C007 C008 1.392(7) . ?
C008 H008 0.9500 . ?
C008 C00A 1.382(8) . ?
C009 C00E 1.458(8) . ?
C00A C00A 1.390(13) 2_665 ?
C00A H00A 0.9500 . ?
O00B C00Z 1.369(8) . ?
O00B C010 1.411(9) . ?
Cl2 C10 1.730(10) . ?
C00E H00E 0.9500 . ?
C00E C00L 1.337(9) . ?
N00F C00U 1.370(8) . ?
N00F C00Y 1.369(8) . ?
C00G C00I 1.438(8) . ?
C00G C00J 1.391(8) . ?
C00H C00S 1.446(8) . ?
C00I H00I 0.9500 . ?
C00I C00T 1.353(9) . ?
C00J C00N 1.399(8) . ?
C00J C00X 1.487(8) . ?
C00K C00O 1.389(8) . ?
C00K C011 1.429(8) . ?
C00L H00L 0.9500 . ?
C00L C00N 1.422(8) . ?
C00M C00R 1.380(9) . ?
C00M C00T 1.440(9) . ?
C00O C00U 1.393(10) . ?
C00O C01D 1.513(8) . ?
C00P H00P 0.9500 . ?
C00P C00W 1.401(9) . ?
C00P C00Z 1.386(10) . ?
Cl C10 1.711(11) . ?
C00R H00R 0.9500 . ?
C00R C00Y 1.377(10) . ?
C00S H00S 0.9500 . ?
C00S C011 1.348(9) . ?
C00T H00T 0.9500 . ?
C00U C01E 1.426(9) . ?
Cl1 C10 1.738(10) . ?
C00W H00W 0.9500 . ?
C00W C01D 1.387(8) . ?
C00X C013 1.399(9) . ?
C00X C015 1.406(9) . ?
C00Y C016 1.451(10) . ?
C00Z C017 1.382(10) . ?
C010 H01A 0.9800 . ?
C010 H01B 0.9800 . ?
C010 H01C 0.9800 . ?
C011 H011 0.9500 . ?
C013 C014 1.383(9) . ?
C013 C01C 1.514(10) . ?
C014 H014 0.9500 . ?
C014 C019 1.384(11) . ?
C015 C01A 1.505(10) . ?
C015 C01B 1.396(9) . ?
C016 H016 0.9500 . ?
C016 C01E 1.347(11) . ?
C017 H017 0.9500 . ?
C017 C018 1.375(10) . ?
C018 H018 0.9500 . ?
C018 C01D 1.400(10) . ?
C019 C01B 1.381(11) . ?
C019 C01G 1.506(10) . ?
C01A H01D 0.9800 . ?
C01A H01E 0.9800 . ?
C01A H01F 0.9800 . ?
C01B H01G 0.9500 . ?
C01C H01H 0.9800 . ?
C01C H01I 0.9800 . ?
C01C H01J 0.9800 . ?
C01E H01K 0.9500 . ?
C01G H01L 0.9800 . ?
C01G H01M 0.9800 . ?
C01G H01N 0.9800 . ?
Cl3 C8 1.717(10) . ?
Cl4 C8 1.733(10) . ?
Cl5 C8 1.731(9) . ?
C8 H8 1.0000 . ?
C10 H10 1.0000 . ?
C8A H8A 1.0000 . ?
C8A Cl5A 1.736(12) . ?
C8A Cl4A 1.736(12) . ?
C8A Cl3A 1.724(12) . ?
Cl5A Cl5A 2.21(3) 2_655 ?
ClA C10A 1.727(13) . ?
C10A H10A 1.0000 . ?
C10A Cl1A 1.731(13) . ?
C10A Cl2A 1.731(13) . ?

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
N002 Pt01 N006 178.8(2) . . ?
N002 Pt01 N00F 90.3(2) . . ?
N003 Pt01 N002 89.59(18) . . ?
N003 Pt01 N006 90.24(19) . . ?
N003 Pt01 N00F 179.8(2) . . ?
N006 Pt01 N00F 89.9(2) . . ?
C00G N002 Pt01 127.0(4) . . ?
C00M N002 Pt01 126.6(4) . . ?
C00M N002 C00G 106.4(5) . . ?
C009 N003 Pt01 125.8(4) . . ?
C009 N003 C00N 106.6(5) . . ?
C00N N003 Pt01 127.5(4) . . ?
C009 C004 C007 117.0(5) . . ?
C009 C004 C00H 124.4(5) . . ?
C00H C004 C007 118.6(5) . . ?
C00H N006 Pt01 127.1(4) . . ?
C00H N006 C00K 106.0(5) . . ?
C00K N006 Pt01 126.9(4) . . ?
C007 C007 C004 120.3(3) 2_665 . ?
C008 C007 C004 120.9(5) . . ?
C008 C007 C007 118.9(3) . 2_665 ?
C007 C008 H008 119.2 . . ?
C00A C008 C007 121.6(5) . . ?
C00A C008 H008 119.2 . . ?
N003 C009 C00E 108.1(5) . . ?
C004 C009 N003 127.2(5) . . ?
C004 C009 C00E 124.7(5) . . ?
C008 C00A C00A 119.6(3) . 2_665 ?
C008 C00A H00A 120.2 . . ?
C00A C00A H00A 120.2 2_665 . ?
C00Z O00B C010 117.2(6) . . ?
C009 C00E H00E 126.1 . . ?
C00L C00E C009 107.9(5) . . ?
C00L C00E H00E 126.1 . . ?
C00U N00F Pt01 127.2(4) . . ?
C00Y N00F Pt01 126.3(5) . . ?
C00Y N00F C00U 106.4(5) . . ?
N002 C00G C00I 109.7(5) . . ?
N002 C00G C00J 126.6(5) . . ?
C00J C00G C00I 123.6(6) . . ?
C004 C00H C00S 125.7(5) . . ?
N006 C00H C004 124.8(5) . . ?
N006 C00H C00S 109.4(5) . . ?
C00G C00I H00I 126.5 . . ?
C00T C00I C00G 106.9(6) . . ?
C00T C00I H00I 126.5 . . ?
C00G C00J C00N 123.3(5) . . ?
C00G C00J C00X 119.2(5) . . ?
C00N C00J C00X 117.5(5) . . ?
N006 C00K C00O 125.3(5) . . ?
N006 C00K C011 109.6(5) . . ?
C00O C00K C011 125.1(5) . . ?
C00E C00L H00L 126.2 . . ?
C00E C00L C00N 107.7(5) . . ?
C00N C00L H00L 126.2 . . ?
N002 C00M C00R 124.9(6) . . ?
N002 C00M C00T 109.6(5) . . ?
C00R C00M C00T 125.3(6) . . ?
N003 C00N C00J 125.7(5) . . ?
N003 C00N C00L 109.7(5) . . ?
C00J C00N C00L 124.7(5) . . ?
C00K C00O C00U 125.0(6) . . ?
C00K C00O C01D 117.9(6) . . ?
C00U C00O C01D 117.2(5) . . ?
C00W C00P H00P 120.2 . . ?
C00Z C00P H00P 120.2 . . ?
C00Z C00P C00W 119.5(6) . . ?
C00M C00R H00R 116.9 . . ?
C00Y C00R C00M 126.3(6) . . ?
C00Y C00R H00R 116.9 . . ?
C00H C00S H00S 126.5 . . ?
C011 C00S C00H 107.1(5) . . ?
C011 C00S H00S 126.5 . . ?
C00I C00T C00M 107.3(5) . . ?
C00I C00T H00T 126.3 . . ?
C00M C00T H00T 126.3 . . ?
N00F C00U C00O 125.5(6) . . ?
N00F C00U C01E 109.8(6) . . ?
C00O C00U C01E 124.7(6) . . ?
C00P C00W H00W 119.6 . . ?
C01D C00W C00P 120.9(6) . . ?
C01D C00W H00W 119.6 . . ?
C013 C00X C00J 121.3(6) . . ?
C013 C00X C015 119.8(6) . . ?
C015 C00X C00J 118.9(5) . . ?
N00F C00Y C00R 125.4(6) . . ?
N00F C00Y C016 109.6(6) . . ?
C00R C00Y C016 125.0(6) . . ?
O00B C00Z C00P 124.0(6) . . ?
O00B C00Z C017 116.2(7) . . ?
C017 C00Z C00P 119.7(6) . . ?
O00B C010 H01A 109.5 . . ?
O00B C010 H01B 109.5 . . ?
O00B C010 H01C 109.5 . . ?
H01A C010 H01B 109.5 . . ?
H01A C010 H01C 109.5 . . ?
H01B C010 H01C 109.5 . . ?
C00K C011 H011 126.1 . . ?
C00S C011 C00K 107.8(5) . . ?
C00S C011 H011 126.1 . . ?
C00X C013 C01C 121.4(6) . . ?
C014 C013 C00X 119.7(6) . . ?
C014 C013 C01C 118.8(6) . . ?
C013 C014 H014 119.4 . . ?
C013 C014 C019 121.2(6) . . ?
C019 C014 H014 119.4 . . ?
C00X C015 C01A 120.1(6) . . ?
C01B C015 C00X 118.7(6) . . ?
C01B C015 C01A 121.2(7) . . ?
C00Y C016 H016 126.9 . . ?
C01E C016 C00Y 106.2(6) . . ?
C01E C016 H016 126.9 . . ?
C00Z C017 H017 119.6 . . ?
C018 C017 C00Z 120.7(7) . . ?
C018 C017 H017 119.6 . . ?
C017 C018 H018 119.7 . . ?
C017 C018 C01D 120.7(6) . . ?
C01D C018 H018 119.7 . . ?
C014 C019 C01G 120.5(8) . . ?
C01B C019 C014 119.1(6) . . ?
C01B C019 C01G 120.4(8) . . ?
C015 C01A H01D 109.5 . . ?
C015 C01A H01E 109.5 . . ?
C015 C01A H01F 109.5 . . ?
H01D C01A H01E 109.5 . . ?
H01D C01A H01F 109.5 . . ?
H01E C01A H01F 109.5 . . ?
C015 C01B H01G 119.3 . . ?
C019 C01B C015 121.5(7) . . ?
C019 C01B H01G 119.3 . . ?
C013 C01C H01H 109.5 . . ?
C013 C01C H01I 109.5 . . ?
C013 C01C H01J 109.5 . . ?
H01H C01C H01I 109.5 . . ?
H01H C01C H01J 109.5 . . ?
H01I C01C H01J 109.5 . . ?
C00W C01D C00O 120.6(6) . . ?
C00W C01D C018 118.4(6) . . ?
C018 C01D C00O 121.0(6) . . ?
C00U C01E H01K 126.0 . . ?
C016 C01E C00U 108.0(6) . . ?
C016 C01E H01K 126.0 . . ?
C019 C01G H01L 109.5 . . ?
C019 C01G H01M 109.5 . . ?
C019 C01G H01N 109.5 . . ?
H01L C01G H01M 109.5 . . ?
H01L C01G H01N 109.5 . . ?
H01M C01G H01N 109.5 . . ?
Cl3 C8 Cl4 114.9(9) . . ?
Cl3 C8 Cl5 116.4(10) . . ?
Cl3 C8 H8 105.3 . . ?
Cl4 C8 H8 105.3 . . ?
Cl5 C8 Cl4 108.5(7) . . ?
Cl5 C8 H8 105.3 . . ?
Cl2 C10 Cl1 116.1(9) . . ?
Cl2 C10 H10 108.0 . . ?
Cl C10 Cl2 109.5(8) . . ?
Cl C10 Cl1 107.0(8) . . ?
Cl C10 H10 108.0 . . ?
Cl1 C10 H10 108.0 . . ?
Cl5A C8A H8A 112.9 . . ?
Cl4A C8A H8A 112.9 . . ?
Cl4A C8A Cl5A 116.0(17) . . ?
Cl3A C8A H8A 112.9 . . ?
Cl3A C8A Cl5A 97.3(15) . . ?
Cl3A C8A Cl4A 103.5(18) . . ?
C8A Cl5A Cl5A 175.4(15) . 2_655 ?
ClA C10A H10A 109.0 . . ?
ClA C10A Cl1A 99(2) . . ?
ClA C10A Cl2A 110(2) . . ?
Cl1A C10A H10A 109.0 . . ?
Cl1A C10A Cl2A 121(3) . . ?
Cl2A C10A H10A 109.0 . . ?

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
Pt01 N002 C00G C00I 178.6(4) . . . . ?
Pt01 N002 C00G C00J -3.9(8) . . . . ?
Pt01 N002 C00M C00R -4.1(9) . . . . ?
Pt01 N002 C00M C00T -179.1(4) . . . . ?
Pt01 N003 C009 C004 5.8(8) . . . . ?
Pt01 N003 C009 C00E -176.5(4) . . . . ?
Pt01 N003 C00N C00J -2.2(8) . . . . ?
Pt01 N003 C00N C00L 177.7(4) . . . . ?
Pt01 N006 C00H C004 -3.5(8) . . . . ?
Pt01 N006 C00H C00S 177.8(4) . . . . ?
Pt01 N006 C00K C00O 2.5(8) . . . . ?
Pt01 N006 C00K C011 -178.1(4) . . . . ?
Pt01 N00F C00U C00O 5.4(10) . . . . ?
Pt01 N00F C00U C01E -176.6(5) . . . . ?
Pt01 N00F C00Y C00R -2.6(10) . . . . ?
Pt01 N00F C00Y C016 177.2(5) . . . . ?
N002 C00G C00I C00T 0.8(7) . . . . ?
N002 C00G C00J C00N -2.4(9) . . . . ?
N002 C00G C00J C00X 175.9(5) . . . . ?
N002 C00M C00R C00Y -0.6(11) . . . . ?
N002 C00M C00T C00I 0.7(7) . . . . ?
N003 C009 C00E C00L -3.0(7) . . . . ?
C004 C007 C008 C00A -178.6(6) . . . . ?
C004 C009 C00E C00L 174.8(6) . . . . ?
C004 C00H C00S C011 -177.3(6) . . . . ?
N006 C00H C00S C011 1.4(7) . . . . ?
N006 C00K C00O C00U -3.1(10) . . . . ?
N006 C00K C00O C01D 177.7(5) . . . . ?
N006 C00K C011 C00S -0.7(7) . . . . ?
C007 C004 C009 N003 170.9(5) . . . . ?
C007 C004 C009 C00E -6.4(8) . . . . ?
C007 C004 C00H N006 -172.2(5) . . . . ?
C007 C004 C00H C00S 6.3(9) . . . . ?
C007 C007 C008 C00A 0.3(10) 2_665 . . . ?
C007 C008 C00A C00A 0.2(12) . . . 2_665 ?
C009 N003 C00N C00J 178.7(6) . . . . ?
C009 N003 C00N C00L -1.4(6) . . . . ?
C009 C004 C007 C007 -67.0(8) . . . 2_665 ?
C009 C004 C007 C008 111.8(6) . . . . ?
C009 C004 C00H N006 6.3(9) . . . . ?
C009 C004 C00H C00S -175.2(6) . . . . ?
C009 C00E C00L C00N 2.0(7) . . . . ?
O00B C00Z C017 C018 179.6(9) . . . . ?
C00E C00L C00N N003 -0.5(7) . . . . ?
C00E C00L C00N C00J 179.4(6) . . . . ?
N00F C00U C01E C016 -1.6(9) . . . . ?
N00F C00Y C016 C01E -0.1(9) . . . . ?
C00G N002 C00M C00R 174.8(6) . . . . ?
C00G N002 C00M C00T -0.2(6) . . . . ?
C00G C00I C00T C00M -0.9(7) . . . . ?
C00G C00J C00N N003 5.6(9) . . . . ?
C00G C00J C00N C00L -174.3(6) . . . . ?
C00G C00J C00X C013 100.4(7) . . . . ?
C00G C00J C00X C015 -81.3(7) . . . . ?
C00H C004 C007 C007 111.7(7) . . . 2_665 ?
C00H C004 C007 C008 -69.5(7) . . . . ?
C00H C004 C009 N003 -7.7(9) . . . . ?
C00H C004 C009 C00E 175.0(6) . . . . ?
C00H N006 C00K C00O -177.8(6) . . . . ?
C00H N006 C00K C011 1.6(6) . . . . ?
C00H C00S C011 C00K -0.4(7) . . . . ?
C00I C00G C00J C00N 174.8(6) . . . . ?
C00I C00G C00J C00X -6.9(9) . . . . ?
C00J C00G C00I C00T -176.8(6) . . . . ?
C00J C00X C013 C014 178.4(6) . . . . ?
C00J C00X C013 C01C 0.0(9) . . . . ?
C00J C00X C015 C01A -0.6(10) . . . . ?
C00J C00X C015 C01B -179.9(6) . . . . ?
C00K N006 C00H C004 176.9(5) . . . . ?
C00K N006 C00H C00S -1.8(6) . . . . ?
C00K C00O C00U N00F -1.1(11) . . . . ?
C00K C00O C00U C01E -178.9(7) . . . . ?
C00K C00O C01D C00W 103.5(7) . . . . ?
C00K C00O C01D C018 -75.5(9) . . . . ?
C00M N002 C00G C00I -0.3(6) . . . . ?
C00M N002 C00G C00J 177.2(6) . . . . ?
C00M C00R C00Y N00F 4.2(12) . . . . ?
C00M C00R C00Y C016 -175.6(8) . . . . ?
C00N N003 C009 C004 -175.1(6) . . . . ?
C00N N003 C009 C00E 2.6(6) . . . . ?
C00N C00J C00X C013 -81.2(7) . . . . ?
C00N C00J C00X C015 97.1(7) . . . . ?
C00O C00K C011 C00S 178.7(6) . . . . ?
C00O C00U C01E C016 176.5(7) . . . . ?
C00P C00W C01D C00O 179.9(6) . . . . ?
C00P C00W C01D C018 -1.1(11) . . . . ?
C00P C00Z C017 C018 -1.5(14) . . . . ?
C00R C00M C00T C00I -174.3(7) . . . . ?
C00R C00Y C016 C01E 179.8(7) . . . . ?
C00T C00M C00R C00Y 173.6(7) . . . . ?
C00U N00F C00Y C00R 179.3(7) . . . . ?
C00U N00F C00Y C016 -0.9(8) . . . . ?
C00U C00O C01D C00W -75.8(8) . . . . ?
C00U C00O C01D C018 105.2(9) . . . . ?
C00W C00P C00Z O00B -178.7(7) . . . . ?
C00W C00P C00Z C017 2.5(12) . . . . ?
C00X C00J C00N N003 -172.8(5) . . . . ?
C00X C00J C00N C00L 7.4(9) . . . . ?
C00X C013 C014 C019 1.4(10) . . . . ?
C00X C015 C01B C019 1.7(11) . . . . ?
C00Y N00F C00U C00O -176.5(6) . . . . ?
C00Y N00F C00U C01E 1.5(8) . . . . ?
C00Y C016 C01E C00U 1.0(9) . . . . ?
C00Z C00P C00W C01D -1.2(10) . . . . ?
C00Z C017 C018 C01D -0.9(16) . . . . ?
C010 O00B C00Z C00P -10.5(13) . . . . ?
C010 O00B C00Z C017 168.4(9) . . . . ?
C011 C00K C00O C00U 177.6(6) . . . . ?
C011 C00K C00O C01D -1.6(9) . . . . ?
C013 C00X C015 C01A 177.7(7) . . . . ?
C013 C00X C015 C01B -1.6(10) . . . . ?
C013 C014 C019 C01B -1.3(12) . . . . ?
C013 C014 C019 C01G 179.1(8) . . . . ?
C014 C019 C01B C015 -0.2(12) . . . . ?
C015 C00X C013 C014 0.1(9) . . . . ?
C015 C00X C013 C01C -178.3(6) . . . . ?
C017 C018 C01D C00O -178.8(9) . . . . ?
C017 C018 C01D C00W 2.2(14) . . . . ?
C01A C015 C01B C019 -177.6(8) . . . . ?
C01C C013 C014 C019 179.8(7) . . . . ?
C01D C00O C00U N00F 178.2(6) . . . . ?
C01D C00O C00U C01E 0.4(10) . . . . ?
C01G C019 C01B C015 179.3(8) . . . . ?

_olex2_exptl_crystal_mounting_method fiber
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.857
_oxdiff_exptl_absorpt_empirical_full_min 0.593
####################################################################### 
# 
# 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_20221125-abch-
_database_code_depnum_ccdc_archive 'CCDC 2386893'
loop_
_audit_author_name
_audit_author_address
'Ryo Inoue'
;University of Hyogo
Japan
;
_audit_update_record             
;
2024-12-06 deposited with the CCDC.	2024-12-10 downloaded from the CCDC.
;
_audit_creation_date             2024-12-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H32 N4 O Pt'
_chemical_formula_sum            'C42 H32 N4 O Pt'
_chemical_formula_weight         803.80
_chemical_melting_point          ?
_chemical_oxdiff_formula         C42H32N4O1Pt1
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1467(5)
_cell_length_b                   17.0883(8)
_cell_length_c                   21.2534(7)
_cell_angle_alpha                111.170(4)
_cell_angle_beta                 93.759(3)
_cell_angle_gamma                106.032(4)
_cell_volume                     3246.1(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8443
_cell_measurement_temperature    150
_cell_measurement_theta_max      31.0860
_cell_measurement_theta_min      2.0210
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.364
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87246
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1592
_exptl_crystal_preparation       CH2Cl2/MeOH
_exptl_crystal_recrystallization_method CH2Cl2/MeOH
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0493
_diffrn_reflns_av_unetI/netI     0.0861
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23877
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.022
_diffrn_reflns_theta_min         2.008
_diffrn_ambient_temperature      150
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -110.00  70.00   0.50   25.00    --  -20.00  45.00   0.00  360
  2  ω   -110.00  70.00   0.50   25.00    --  -20.00  45.00  90.00  360
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0194439000
_diffrn_orient_matrix_UB_12      0.0352169000
_diffrn_orient_matrix_UB_13      -0.0035422000
_diffrn_orient_matrix_UB_21      0.0104327000
_diffrn_orient_matrix_UB_22      0.0216905000
_diffrn_orient_matrix_UB_23      0.0362335000
_diffrn_orient_matrix_UB_31      0.0706364000
_diffrn_orient_matrix_UB_32      0.0223646000
_diffrn_orient_matrix_UB_33      0.0007090000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8815
_reflns_number_total             12530
_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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.560
_refine_diff_density_min         -1.057
_refine_diff_density_rms         0.176
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     873
_refine_ls_number_reflns         12530
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.0883
_refine_ls_R_factor_gt           0.0517
_refine_ls_restrained_S_all      1.061
_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)+(0.0421P)²+13.9360P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1076
_refine_ls_wR_factor_ref         0.1212
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C011, C00I, C00G, C00Z, C00Q, N006, C00L, C00C
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C00L \\sim C00Q \\sim N006 \\sim C00Z \\sim C00G \\sim C00I \\sim C011 \\sim
C00C: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
within 1.7A
C00I \\sim N006 \\sim C00G \\sim C00Z \\sim C00Q: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 2A
Uanis(C00Q) \\sim Ueq, Uanis(N006) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C00Q) \\sim Ueq: with sigma of 0.003 and sigma for terminal atoms of 0.006
4.a Aromatic/amide H refined with riding coordinates:
 C007(H007), C009(H009), C00G(H00G), C00J(H00J), C00N(H00N), C00O(H00O),
 C00T(H00T), C00Z(H00Z), C010(H010), C012(H012), C014(H014), C016(H016),
 C01A(H01A), C01E(H01M), C01G(H01G), C01I(H01I), C01K(H01O), C01M(H01P),
 C01N(H01N), C01R(H01R), C01S(H01S), C01U(H01U), C01V(H01V), C01X(H01X),
 C01Y(H01Y), C01Z(H01Z), C020(H020), C022(H022), C023(H023), C025(H025),
 C026(H026), C027(H027), C028(H028), C02A(H02A), C02B(H02N), C02E(H02O),
 C02I(H02I), C02J(H02J), C02M(H02M), C02N(H02P)
4.b Idealised Me refined as rotating group:
 C00X(H00A,H00B,H00C), C01C(H01B,H01C,H01D), C01H(H01E,H01F,H01H), C01W(H01J,
 H01K,H01L), C021(H02E,H02F,H02G), C029(H02H,H02K,H02L), C02L(H02B,H02C,H02D),
 C02O(H02Q,H02R,H02S)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.13860(3) 0.69980(2) 0.60348(2) 0.02065(10) Uani 1 1 d . . . . .
Pt02 Pt 0.31902(3) 1.19322(2) 0.70190(2) 0.02227(10) Uani 1 1 d . . . . .
N003 N 0.2817(7) 0.7677(4) 0.6908(3) 0.0217(16) Uani 1 1 d . . . . .
N004 N -0.0027(7) 0.6299(4) 0.5148(3) 0.0178(15) Uani 1 1 d . . . . .
N005 N 0.0314(7) 0.6304(5) 0.6515(3) 0.0221(16) Uani 1 1 d . . . . .
N006 N 0.2451(7) 0.7725(4) 0.5568(4) 0.0241(14) Uani 1 1 d . U . . .
C007 C 0.1686(9) 0.9792(6) 0.7659(5) 0.031(2) Uani 1 1 d . . . . .
H007 H 0.154261 0.954490 0.799336 0.037 Uiso 1 1 calc R U . . .
C008 C 0.5077(9) 1.4088(6) 0.8076(5) 0.026(2) Uani 1 1 d . . . . .
C009 C 0.2308(10) 1.2584(6) 0.4549(4) 0.029(2) Uani 1 1 d . . . . .
H009 H 0.140918 1.237155 0.464648 0.035 Uiso 1 1 calc R U . . .
O00A O 0.0324(7) 0.6503(5) 0.1619(3) 0.0442(18) Uani 1 1 d . . . . .
N00B N 0.2572(7) 1.1256(5) 0.5994(4) 0.0265(17) Uani 1 1 d . . . . .
C00C C 0.0031(9) 0.6405(6) 0.4536(4) 0.0238(19) Uani 1 1 d . U . . .
C00D C 0.3385(9) 1.2488(6) 0.5611(5) 0.027(2) Uani 1 1 d . . . . .
C00E C 0.2162(10) 0.6205(7) 0.8446(5) 0.034(2) Uani 1 1 d . . . . .
N00F N 0.4019(7) 1.3053(5) 0.6876(4) 0.0250(17) Uani 1 1 d . . . . .
C00G C 0.4149(9) 0.8839(6) 0.5411(5) 0.0265(18) Uani 1 1 d . U . . .
H00G H 0.494703 0.933757 0.549414 0.032 Uiso 1 1 calc R U . . .
C00H C 0.2821(9) 0.7526(6) 0.7512(4) 0.027(2) Uani 1 1 d . . . . .
C00I C 0.3705(9) 0.8467(6) 0.5895(5) 0.0233(17) Uani 1 1 d . U . . .
C00J C 0.7020(9) 0.9441(6) 0.6877(5) 0.029(2) Uani 1 1 d . . . . .
H00J H 0.709808 0.886856 0.677527 0.035 Uiso 1 1 calc R U . . .
N00K N 0.2353(7) 1.0822(5) 0.7172(4) 0.0250(17) Uani 1 1 d . . . . .
C00L C 0.1046(9) 0.7043(6) 0.4410(4) 0.0244(18) Uani 1 1 d . U . . .
O00M O 0.3907(8) 1.3233(5) 0.3230(4) 0.049(2) Uani 1 1 d . . . . .
C00N C 0.4646(9) 1.4066(5) 0.6379(5) 0.025(2) Uani 1 1 d . . . . .
H00N H 0.472700 1.431526 0.604400 0.030 Uiso 1 1 calc R U . . .
C00O C 0.2283(10) 0.6218(7) 0.9109(5) 0.038(3) Uani 1 1 d . . . . .
H00O H 0.248825 0.574501 0.918257 0.045 Uiso 1 1 calc R U . . .
C00P C 0.4760(8) 1.3889(5) 0.7377(5) 0.024(2) Uani 1 1 d . . . . .
C00Q C 0.2210(8) 0.7690(5) 0.4931(4) 0.0217(16) Uani 1 1 d . U . . .
C00R C 0.0512(8) 0.6349(5) 0.7148(5) 0.0230(19) Uani 1 1 d . . . . .
C00S C 0.1932(8) 1.0354(5) 0.5658(4) 0.0212(19) Uani 1 1 d . . . . .
C00T C 0.1910(9) 0.6812(6) 0.3306(5) 0.028(2) Uani 1 1 d . . . . .
H00T H 0.274455 0.677721 0.350750 0.033 Uiso 1 1 calc R U . . .
C00U C 0.2847(9) 1.1402(6) 0.8440(5) 0.028(2) Uani 1 1 d . . . . .
C00V C 0.0932(9) 0.7014(6) 0.3707(5) 0.029(2) Uani 1 1 d . . . . .
N00W N 0.3814(7) 1.2610(5) 0.8044(4) 0.0264(17) Uani 1 1 d . . . . .
C00X C 0.0300(11) 1.1325(7) 0.8991(5) 0.048(3) Uani 1 1 d . . . . .
H00A H -0.046279 1.127891 0.925023 0.071 Uiso 1 1 calc R U . . .
H00B H -0.003580 1.089017 0.851634 0.071 Uiso 1 1 calc R U . . .
H00C H 0.062722 1.192285 0.899613 0.071 Uiso 1 1 calc R U . . .
C00Y C 0.1875(9) 0.6925(6) 0.8354(5) 0.028(2) Uani 1 1 d . . . . .
C00Z C 0.3228(9) 0.8354(6) 0.4810(5) 0.0271(18) Uani 1 1 d . U . . .
H00Z H 0.325736 0.844133 0.439379 0.033 Uiso 1 1 calc R U . . .
C010 C -0.1888(9) 0.5256(6) 0.4346(5) 0.028(2) Uani 1 1 d . . . . .
H010 H -0.272113 0.476671 0.413789 0.034 Uiso 1 1 calc R U . . .
C011 C 0.4413(9) 0.8753(5) 0.6561(5) 0.0257(19) Uani 1 1 d . U . . .
C012 C 0.1557(9) 0.9768(6) 0.5965(5) 0.030(2) Uani 1 1 d . . . . .
H012 H 0.112583 0.916176 0.566993 0.036 Uiso 1 1 calc R U . . .
C013 C 0.3683(11) 1.3062(6) 0.3805(5) 0.033(2) Uani 1 1 d . . . . .
C014 C 0.4874(10) 1.3202(6) 0.4248(5) 0.029(2) Uani 1 1 d . . . . .
H014 H 0.576954 1.342103 0.414994 0.035 Uiso 1 1 calc R U . . .
C015 C 0.1744(8) 0.9974(5) 0.6670(5) 0.0234(19) Uani 1 1 d . . . . .
C016 C -0.1148(9) 0.5747(6) 0.4038(5) 0.028(2) Uani 1 1 d . . . . .
H016 H -0.136869 0.567080 0.357372 0.034 Uiso 1 1 calc R U . . .
C017 C 0.2754(9) 1.1591(6) 0.5495(4) 0.025(2) Uani 1 1 d . . . . .
C018 C 0.0484(10) 0.6696(6) 0.2309(5) 0.032(2) Uani 1 1 d . . . . .
C019 C 0.2317(9) 1.0716(6) 0.7784(4) 0.025(2) Uani 1 1 d . . . . .
C01A C -0.0552(9) 0.5728(6) 0.7290(5) 0.027(2) Uani 1 1 d . . . . .
H01A H -0.060610 0.566202 0.771368 0.033 Uiso 1 1 calc R U . . .
C01B C 0.2423(11) 1.0813(6) 1.0231(5) 0.036(2) Uani 1 1 d . . . . .
C01C C 0.1333(12) 0.8344(7) 0.8802(5) 0.048(3) Uani 1 1 d . . . . .
H01B H 0.204419 0.864314 0.860001 0.073 Uiso 1 1 calc R U . . .
H01C H 0.126560 0.877264 0.924313 0.073 Uiso 1 1 calc R U . . .
H01D H 0.042955 0.809466 0.849054 0.073 Uiso 1 1 calc R U . . .
C01D C 0.3469(9) 1.2709(5) 0.4996(4) 0.024(2) Uani 1 1 d . . . . .
C01E C 0.4764(9) 1.3027(6) 0.4824(5) 0.028(2) Uani 1 1 d . . . . .
H01M H 0.559180 1.312473 0.511848 0.033 Uiso 1 1 calc R U . . .
C01F C -0.0977(9) 0.5587(5) 0.6200(4) 0.0241(19) Uani 1 1 d . . . . .
C01G C 0.1694(10) 0.6661(6) 0.2619(5) 0.034(2) Uani 1 1 d . . . . .
H01G H 0.238563 0.653094 0.235519 0.040 Uiso 1 1 calc R U . . .
C01H C 0.2298(11) 0.5449(7) 0.7855(5) 0.043(3) Uani 1 1 d . . . . .
H01E H 0.274643 0.510579 0.802549 0.065 Uiso 1 1 calc R U . . .
H01F H 0.286690 0.567549 0.756458 0.065 Uiso 1 1 calc R U . . .
H01H H 0.137003 0.506649 0.758550 0.065 Uiso 1 1 calc R U . . .
C01I C -0.0496(10) 0.6940(6) 0.2704(5) 0.031(2) Uani 1 1 d . . . . .
H01I H -0.131277 0.699566 0.250464 0.037 Uiso 1 1 calc R U . . .
C01J C 0.5724(9) 0.9532(6) 0.6806(5) 0.027(2) Uani 1 1 d . . . . .
C01K C 0.2407(11) 1.2759(6) 0.3959(5) 0.031(2) Uani 1 1 d . . . . .
H01O H 0.158490 1.266710 0.366335 0.038 Uiso 1 1 calc R U . . .
C01L C 0.4014(9) 0.8368(5) 0.7024(4) 0.0232(19) Uani 1 1 d . . . . .
C01M C 0.6806(11) 1.6596(6) 0.9052(5) 0.041(3) Uani 1 1 d . . . . .
H01P H 0.659294 1.713100 0.915254 0.049 Uiso 1 1 calc R U . . .
C01N C -0.1617(9) 0.5277(5) 0.5528(5) 0.025(2) Uani 1 1 d . . . . .
H01N H -0.244530 0.478177 0.538368 0.030 Uiso 1 1 calc R U . . .
C01O C 0.4574(9) 1.3498(6) 0.8383(4) 0.024(2) Uani 1 1 d . . . . .
C01P C -0.1206(8) 0.5598(5) 0.5034(4) 0.0210(19) Uani 1 1 d . . . . .
C01Q C 0.1728(9) 0.6934(6) 0.7643(4) 0.025(2) Uani 1 1 d . . . . .
C01R C 0.1726(9) 1.0126(6) 0.4938(5) 0.029(2) Uani 1 1 d . . . . .
H01R H 0.130888 0.954697 0.459153 0.034 Uiso 1 1 calc R U . . .
C01S C -0.1479(9) 0.5247(6) 0.6684(4) 0.027(2) Uani 1 1 d . . . . .
H01S H -0.230930 0.477165 0.660350 0.033 Uiso 1 1 calc R U . . .
C01T C 0.3957(9) 1.3155(6) 0.6255(5) 0.027(2) Uani 1 1 d . . . . .
C01U C 0.2226(9) 1.0875(6) 0.4833(5) 0.027(2) Uani 1 1 d . . . . .
H01U H 0.222976 1.092208 0.440116 0.032 Uiso 1 1 calc R U . . .
C01V C 0.3611(11) 1.0818(6) 0.9949(5) 0.037(2) Uani 1 1 d . . . . .
H01V H 0.434455 1.070129 1.016245 0.044 Uiso 1 1 calc R U . . .
C01W C -0.0965(12) 0.6444(8) 0.1281(5) 0.048(3) Uani 1 1 d . . . . .
H01J H -0.095769 0.626891 0.078829 0.073 Uiso 1 1 calc R U . . .
H01K H -0.111188 0.702150 0.146725 0.073 Uiso 1 1 calc R U . . .
H01L H -0.172000 0.600026 0.135100 0.073 Uiso 1 1 calc R U . . .
C01X C 0.7411(10) 1.5035(6) 0.8813(5) 0.038(3) Uani 1 1 d . . . . .
H01X H 0.762276 1.450729 0.875241 0.046 Uiso 1 1 calc R U . . .
C01Y C 0.1343(9) 0.9353(6) 0.6974(5) 0.029(2) Uani 1 1 d . . . . .
H01Y H 0.090648 0.873203 0.673497 0.035 Uiso 1 1 calc R U . . .
C01Z C 0.5149(9) 1.4498(6) 0.7049(5) 0.029(2) Uani 1 1 d . . . . .
H01Z H 0.567900 1.510868 0.727354 0.034 Uiso 1 1 calc R U . . .
C020 C 0.4776(10) 0.8636(6) 0.7696(5) 0.032(2) Uani 1 1 d . . . . .
H020 H 0.564032 0.909926 0.789942 0.038 Uiso 1 1 calc R U . . .
C021 C 0.5045(11) 1.0934(8) 0.9041(5) 0.048(3) Uani 1 1 d . . . . .
H02E H 0.480834 1.037412 0.863852 0.072 Uiso 1 1 calc R U . . .
H02F H 0.578198 1.096179 0.937760 0.072 Uiso 1 1 calc R U . . .
H02G H 0.537266 1.143113 0.890032 0.072 Uiso 1 1 calc R U . . .
C022 C 0.8396(11) 1.5856(7) 0.9184(5) 0.046(3) Uani 1 1 d . . . . .
H022 H 0.929805 1.588743 0.936634 0.055 Uiso 1 1 calc R U . . .
C023 C 0.4060(10) 0.8120(6) 0.7991(5) 0.037(2) Uani 1 1 d . . . . .
H023 H 0.433026 0.814597 0.843616 0.044 Uiso 1 1 calc R U . . .
C024 C 0.3499(9) 1.2265(6) 0.8543(4) 0.025(2) Uani 1 1 d . . . . .
C025 C 0.4089(10) 1.2984(6) 0.9211(5) 0.033(2) Uani 1 1 d . . . . .
H025 H 0.403569 1.294455 0.964340 0.040 Uiso 1 1 calc R U . . .
C026 C -0.0244(9) 0.7099(6) 0.3401(4) 0.026(2) Uani 1 1 d . . . . .
H026 H -0.089910 0.727165 0.367428 0.032 Uiso 1 1 calc R U . . .
C027 C 0.8212(11) 1.0167(7) 0.7094(5) 0.039(2) Uani 1 1 d . . . . .
H027 H 0.910278 1.008987 0.712374 0.047 Uiso 1 1 calc R U . . .
C028 C 0.1369(11) 1.0964(6) 0.9901(5) 0.036(2) Uani 1 1 d . . . . .
H028 H 0.053218 1.094528 1.008011 0.043 Uiso 1 1 calc R U . . .
C029 C 0.2766(13) 1.2862(8) 0.2682(6) 0.057(3) Uani 1 1 d . . . . .
H02H H 0.202778 1.311762 0.282631 0.086 Uiso 1 1 calc R U . . .
H02K H 0.240761 1.221830 0.254637 0.086 Uiso 1 1 calc R U . . .
H02L H 0.306773 1.299038 0.229090 0.086 Uiso 1 1 calc R U . . .
C02A C 0.8115(11) 1.0995(7) 0.7265(6) 0.049(3) Uani 1 1 d . . . . .
H02A H 0.893506 1.149836 0.743882 0.059 Uiso 1 1 calc R U . . .
C02B C 0.8101(11) 1.6624(7) 0.9296(5) 0.044(3) Uani 1 1 d . . . . .
H02N H 0.880220 1.718008 0.954471 0.052 Uiso 1 1 calc R U . . .
C02C C 0.2112(10) 0.6906(7) 0.9666(5) 0.039(3) Uani 1 1 d . . . . .
C02D C 0.1731(10) 0.7613(6) 0.8911(5) 0.037(2) Uani 1 1 d . . . . .
C02E C 0.4729(10) 1.3722(6) 0.9106(5) 0.033(2) Uani 1 1 d . . . . .
H02O H 0.520253 1.429302 0.945372 0.040 Uiso 1 1 calc R U . . .
C02F C 0.2693(10) 1.1167(5) 0.9045(4) 0.028(2) Uani 1 1 d . . . . .
C02G C 0.6079(10) 1.4994(6) 0.8524(5) 0.031(2) Uani 1 1 d . . . . .
C02H C 0.1483(10) 1.1143(6) 0.9317(5) 0.031(2) Uani 1 1 d . . . . .
C02I C 0.1819(10) 0.7577(7) 0.9549(5) 0.038(2) Uani 1 1 d . . . . .
H02I H 0.167080 0.803949 0.992120 0.045 Uiso 1 1 calc R U . . .
C02J C 0.5664(11) 1.0368(7) 0.6963(7) 0.052(3) Uani 1 1 d . . . . .
H02J H 0.477992 1.045129 0.691808 0.062 Uiso 1 1 calc R U . . .
C02K C 0.3763(10) 1.0991(6) 0.9360(5) 0.034(2) Uani 1 1 d . . . . .
C02L C 0.2152(11) 0.6854(9) 1.0362(5) 0.055(3) Uani 1 1 d . . . . .
H02B H 0.154051 0.627207 1.031296 0.083 Uiso 1 1 calc R U . . .
H02C H 0.183120 0.731881 1.066977 0.083 Uiso 1 1 calc R U . . .
H02D H 0.310926 0.693710 1.055355 0.083 Uiso 1 1 calc R U . . .
C02M C 0.6862(12) 1.1099(7) 0.7188(8) 0.071(4) Uani 1 1 d . . . . .
H02M H 0.679442 1.167357 0.728767 0.085 Uiso 1 1 calc R U . . .
C02N C 0.5767(10) 1.5766(6) 0.8645(5) 0.035(2) Uani 1 1 d . . . . .
H02P H 0.487440 1.574615 0.846057 0.042 Uiso 1 1 calc R U . . .
C02O C 0.2291(14) 1.0663(7) 1.0890(5) 0.059(4) Uani 1 1 d . . . . .
H02Q H 0.268548 1.123090 1.128569 0.089 Uiso 1 1 calc R U . . .
H02R H 0.279839 1.025976 1.091411 0.089 Uiso 1 1 calc R U . . .
H02S H 0.130429 1.040180 1.089579 0.089 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt01 N003 2.015(7) . ?
Pt01 N004 2.026(6) . ?
Pt01 N005 1.984(7) . ?
Pt01 N006 1.995(7) . ?
Pt02 N00B 2.019(7) . ?
Pt02 N00F 2.009(7) . ?
Pt02 N00K 2.004(7) . ?
Pt02 N00W 2.021(7) . ?
N003 C00H 1.398(11) . ?
N003 C01L 1.374(10) . ?
N004 C00C 1.380(10) . ?
N004 C01P 1.372(10) . ?
N005 C00R 1.318(11) . ?
N005 C01F 1.439(11) . ?
N006 C00I 1.437(11) . ?
N006 C00Q 1.337(11) . ?
C007 H007 0.9500 . ?
C007 C019 1.444(12) . ?
C007 C01Y 1.342(12) . ?
C008 C00P 1.393(12) . ?
C008 C01O 1.392(12) . ?
C008 C02G 1.509(12) . ?
C009 H009 0.9500 . ?
C009 C01D 1.380(12) . ?
C009 C01K 1.394(12) . ?
O00A C018 1.369(11) . ?
O00A C01W 1.411(12) . ?
N00B C00S 1.379(10) . ?
N00B C017 1.375(11) . ?
C00C C00L 1.395(12) . ?
C00C C016 1.431(12) . ?
C00D C017 1.408(12) . ?
C00D C01D 1.488(12) . ?
C00D C01T 1.384(12) . ?
C00E C00O 1.397(13) . ?
C00E C00Y 1.415(13) . ?
C00E C01H 1.489(14) . ?
N00F C00P 1.394(10) . ?
N00F C01T 1.390(11) . ?
C00G H00G 0.9500 . ?
C00G C00I 1.431(12) . ?
C00G C00Z 1.357(12) . ?
C00H C01Q 1.398(12) . ?
C00H C023 1.424(13) . ?
C00I C011 1.389(12) . ?
C00J H00J 0.9500 . ?
C00J C01J 1.371(12) . ?
C00J C027 1.378(13) . ?
N00K C015 1.387(11) . ?
N00K C019 1.380(11) . ?
C00L C00Q 1.438(12) . ?
C00L C00V 1.472(12) . ?
O00M C013 1.373(11) . ?
O00M C029 1.410(13) . ?
C00N H00N 0.9500 . ?
C00N C01T 1.435(12) . ?
C00N C01Z 1.331(12) . ?
C00O H00O 0.9500 . ?
C00O C02C 1.396(14) . ?
C00P C01Z 1.434(12) . ?
C00Q C00Z 1.421(12) . ?
C00R C01A 1.424(12) . ?
C00R C01Q 1.421(12) . ?
C00S C012 1.366(12) . ?
C00S C01R 1.422(12) . ?
C00T H00T 0.9500 . ?
C00T C00V 1.385(12) . ?
C00T C01G 1.379(12) . ?
C00U C019 1.407(12) . ?
C00U C024 1.368(12) . ?
C00U C02F 1.483(12) . ?
C00V C026 1.390(12) . ?
N00W C01O 1.382(11) . ?
N00W C024 1.401(11) . ?
C00X H00A 0.9800 . ?
C00X H00B 0.9800 . ?
C00X H00C 0.9800 . ?
C00X C02H 1.506(14) . ?
C00Y C01Q 1.514(12) . ?
C00Y C02D 1.386(13) . ?
C00Z H00Z 0.9500 . ?
C010 H010 0.9500 . ?
C010 C016 1.346(12) . ?
C010 C01P 1.409(12) . ?
C011 C01J 1.498(12) . ?
C011 C01L 1.392(12) . ?
C012 H012 0.9500 . ?
C012 C015 1.396(12) . ?
C013 C014 1.391(13) . ?
C013 C01K 1.363(13) . ?
C014 H014 0.9500 . ?
C014 C01E 1.365(12) . ?
C015 C01Y 1.414(12) . ?
C016 H016 0.9500 . ?
C017 C01U 1.435(12) . ?
C018 C01G 1.381(13) . ?
C018 C01I 1.398(13) . ?
C01A H01A 0.9500 . ?
C01A C01S 1.367(12) . ?
C01B C01V 1.379(14) . ?
C01B C028 1.372(14) . ?
C01B C02O 1.522(13) . ?
C01C H01B 0.9800 . ?
C01C H01C 0.9800 . ?
C01C H01D 0.9800 . ?
C01C C02D 1.502(14) . ?
C01D C01E 1.403(12) . ?
C01E H01M 0.9500 . ?
C01F C01N 1.372(12) . ?
C01F C01S 1.410(12) . ?
C01G H01G 0.9500 . ?
C01H H01E 0.9800 . ?
C01H H01F 0.9800 . ?
C01H H01H 0.9800 . ?
C01I H01I 0.9500 . ?
C01I C026 1.396(12) . ?
C01J C02J 1.365(13) . ?
C01K H01O 0.9500 . ?
C01L C020 1.426(12) . ?
C01M H01P 0.9500 . ?
C01M C02B 1.362(14) . ?
C01M C02N 1.428(12) . ?
C01N H01N 0.9500 . ?
C01N C01P 1.387(12) . ?
C01O C02E 1.428(12) . ?
C01R H01R 0.9500 . ?
C01R C01U 1.344(12) . ?
C01S H01S 0.9500 . ?
C01U H01U 0.9500 . ?
C01V H01V 0.9500 . ?
C01V C02K 1.396(13) . ?
C01W H01J 0.9800 . ?
C01W H01K 0.9800 . ?
C01W H01L 0.9800 . ?
C01X H01X 0.9500 . ?
C01X C022 1.383(13) . ?
C01X C02G 1.421(13) . ?
C01Y H01Y 0.9500 . ?
C01Z H01Z 0.9500 . ?
C020 H020 0.9500 . ?
C020 C023 1.343(12) . ?
C021 H02E 0.9800 . ?
C021 H02F 0.9800 . ?
C021 H02G 0.9800 . ?
C021 C02K 1.516(14) . ?
C022 H022 0.9500 . ?
C022 C02B 1.368(15) . ?
C023 H023 0.9500 . ?
C024 C025 1.452(12) . ?
C025 H025 0.9500 . ?
C025 C02E 1.354(13) . ?
C026 H026 0.9500 . ?
C027 H027 0.9500 . ?
C027 C02A 1.362(14) . ?
C028 H028 0.9500 . ?
C028 C02H 1.387(12) . ?
C029 H02H 0.9800 . ?
C029 H02K 0.9800 . ?
C029 H02L 0.9800 . ?
C02A H02A 0.9500 . ?
C02A C02M 1.339(15) . ?
C02B H02N 0.9500 . ?
C02C C02I 1.361(14) . ?
C02C C02L 1.511(13) . ?
C02D C02I 1.376(13) . ?
C02E H02O 0.9500 . ?
C02F C02H 1.387(13) . ?
C02F C02K 1.396(13) . ?
C02G C02N 1.379(13) . ?
C02I H02I 0.9500 . ?
C02J H02J 0.9500 . ?
C02J C02M 1.386(14) . ?
C02L H02B 0.9800 . ?
C02L H02C 0.9800 . ?
C02L H02D 0.9800 . ?
C02M H02M 0.9500 . ?
C02N H02P 0.9500 . ?
C02O H02Q 0.9800 . ?
C02O H02R 0.9800 . ?
C02O H02S 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
N003 Pt01 N004 178.8(3) . . ?
N005 Pt01 N003 87.6(3) . . ?
N005 Pt01 N004 92.5(3) . . ?
N005 Pt01 N006 178.4(3) . . ?
N006 Pt01 N003 91.8(3) . . ?
N006 Pt01 N004 88.0(3) . . ?
N00B Pt02 N00W 179.9(4) . . ?
N00F Pt02 N00B 89.8(3) . . ?
N00F Pt02 N00W 90.1(3) . . ?
N00K Pt02 N00B 90.7(3) . . ?
N00K Pt02 N00F 179.3(3) . . ?
N00K Pt02 N00W 89.4(3) . . ?
C00H N003 Pt01 127.2(6) . . ?
C01L N003 Pt01 126.9(6) . . ?
C01L N003 C00H 105.9(7) . . ?
C00C N004 Pt01 127.1(6) . . ?
C01P N004 Pt01 126.2(6) . . ?
C01P N004 C00C 106.6(7) . . ?
C00R N005 Pt01 132.9(6) . . ?
C00R N005 C01F 102.9(7) . . ?
C01F N005 Pt01 124.2(5) . . ?
C00I N006 Pt01 124.4(6) . . ?
C00Q N006 Pt01 131.6(6) . . ?
C00Q N006 C00I 103.9(7) . . ?
C019 C007 H007 126.9 . . ?
C01Y C007 H007 126.9 . . ?
C01Y C007 C019 106.2(8) . . ?
C00P C008 C02G 117.4(8) . . ?
C01O C008 C00P 124.5(8) . . ?
C01O C008 C02G 118.1(8) . . ?
C01D C009 H009 118.9 . . ?
C01D C009 C01K 122.3(9) . . ?
C01K C009 H009 118.9 . . ?
C018 O00A C01W 117.9(8) . . ?
C00S N00B Pt02 126.0(6) . . ?
C017 N00B Pt02 127.3(6) . . ?
C017 N00B C00S 106.7(7) . . ?
N004 C00C C00L 126.9(8) . . ?
N004 C00C C016 108.4(8) . . ?
C00L C00C C016 124.6(8) . . ?
C017 C00D C01D 117.1(8) . . ?
C01T C00D C017 123.7(9) . . ?
C01T C00D C01D 119.2(8) . . ?
C00O C00E C00Y 117.7(9) . . ?
C00O C00E C01H 121.1(9) . . ?
C00Y C00E C01H 121.1(9) . . ?
C00P N00F Pt02 127.1(6) . . ?
C01T N00F Pt02 126.9(6) . . ?
C01T N00F C00P 106.0(7) . . ?
C00I C00G H00G 126.1 . . ?
C00Z C00G H00G 126.1 . . ?
C00Z C00G C00I 107.8(8) . . ?
N003 C00H C01Q 125.1(8) . . ?
N003 C00H C023 109.3(8) . . ?
C01Q C00H C023 125.5(9) . . ?
C00G C00I N006 108.8(7) . . ?
C011 C00I N006 126.0(8) . . ?
C011 C00I C00G 125.2(8) . . ?
C01J C00J H00J 119.5 . . ?
C01J C00J C027 121.1(9) . . ?
C027 C00J H00J 119.5 . . ?
C015 N00K Pt02 126.6(6) . . ?
C019 N00K Pt02 128.6(6) . . ?
C019 N00K C015 104.8(7) . . ?
C00C C00L C00Q 122.3(8) . . ?
C00C C00L C00V 117.8(8) . . ?
C00Q C00L C00V 119.8(8) . . ?
C013 O00M C029 116.9(9) . . ?
C01T C00N H00N 126.3 . . ?
C01Z C00N H00N 126.3 . . ?
C01Z C00N C01T 107.5(8) . . ?
C00E C00O H00O 119.0 . . ?
C02C C00O C00E 122.1(10) . . ?
C02C C00O H00O 119.0 . . ?
C008 C00P N00F 125.3(8) . . ?
C008 C00P C01Z 126.2(8) . . ?
N00F C00P C01Z 108.5(8) . . ?
N006 C00Q C00L 123.9(8) . . ?
N006 C00Q C00Z 113.6(8) . . ?
C00Z C00Q C00L 122.5(8) . . ?
N005 C00R C01A 114.9(8) . . ?
N005 C00R C01Q 123.1(8) . . ?
C01Q C00R C01A 121.9(8) . . ?
N00B C00S C01R 109.1(8) . . ?
C012 C00S N00B 125.7(8) . . ?
C012 C00S C01R 125.2(8) . . ?
C00V C00T H00T 119.4 . . ?
C01G C00T H00T 119.4 . . ?
C01G C00T C00V 121.2(9) . . ?
C019 C00U C02F 117.8(8) . . ?
C024 C00U C019 123.2(9) . . ?
C024 C00U C02F 119.0(8) . . ?
C00T C00V C00L 121.6(8) . . ?
C00T C00V C026 117.6(9) . . ?
C026 C00V C00L 120.4(8) . . ?
C01O N00W Pt02 126.7(6) . . ?
C01O N00W C024 107.6(7) . . ?
C024 N00W Pt02 125.7(6) . . ?
H00A C00X H00B 109.5 . . ?
H00A C00X H00C 109.5 . . ?
H00B C00X H00C 109.5 . . ?
C02H C00X H00A 109.5 . . ?
C02H C00X H00B 109.5 . . ?
C02H C00X H00C 109.5 . . ?
C00E C00Y C01Q 119.5(8) . . ?
C02D C00Y C00E 119.9(9) . . ?
C02D C00Y C01Q 120.6(8) . . ?
C00G C00Z C00Q 106.0(8) . . ?
C00G C00Z H00Z 127.0 . . ?
C00Q C00Z H00Z 127.0 . . ?
C016 C010 H010 126.2 . . ?
C016 C010 C01P 107.7(8) . . ?
C01P C010 H010 126.2 . . ?
C00I C011 C01J 118.1(8) . . ?
C00I C011 C01L 125.3(8) . . ?
C01L C011 C01J 116.6(8) . . ?
C00S C012 H012 116.8 . . ?
C00S C012 C015 126.4(8) . . ?
C015 C012 H012 116.8 . . ?
O00M C013 C014 115.7(9) . . ?
C01K C013 O00M 125.2(9) . . ?
C01K C013 C014 119.0(9) . . ?
C013 C014 H014 119.8 . . ?
C01E C014 C013 120.4(9) . . ?
C01E C014 H014 119.8 . . ?
N00K C015 C012 124.5(8) . . ?
N00K C015 C01Y 110.3(8) . . ?
C012 C015 C01Y 125.2(8) . . ?
C00C C016 H016 126.2 . . ?
C010 C016 C00C 107.6(8) . . ?
C010 C016 H016 126.2 . . ?
N00B C017 C00D 125.8(8) . . ?
N00B C017 C01U 109.0(7) . . ?
C00D C017 C01U 125.2(8) . . ?
O00A C018 C01G 117.1(9) . . ?
O00A C018 C01I 123.1(9) . . ?
C01G C018 C01I 119.7(9) . . ?
N00K C019 C007 110.3(7) . . ?
N00K C019 C00U 125.2(8) . . ?
C00U C019 C007 124.5(8) . . ?
C00R C01A H01A 127.6 . . ?
C01S C01A C00R 104.9(8) . . ?
C01S C01A H01A 127.6 . . ?
C01V C01B C02O 121.3(10) . . ?
C028 C01B C01V 117.7(9) . . ?
C028 C01B C02O 120.9(10) . . ?
H01B C01C H01C 109.5 . . ?
H01B C01C H01D 109.5 . . ?
H01C C01C H01D 109.5 . . ?
C02D C01C H01B 109.5 . . ?
C02D C01C H01C 109.5 . . ?
C02D C01C H01D 109.5 . . ?
C009 C01D C00D 123.1(8) . . ?
C009 C01D C01E 116.1(8) . . ?
C01E C01D C00D 120.7(8) . . ?
C014 C01E C01D 122.1(9) . . ?
C014 C01E H01M 118.9 . . ?
C01D C01E H01M 118.9 . . ?
C01N C01F N005 124.9(8) . . ?
C01N C01F C01S 125.2(8) . . ?
C01S C01F N005 109.8(7) . . ?
C00T C01G C018 120.7(9) . . ?
C00T C01G H01G 119.6 . . ?
C018 C01G H01G 119.6 . . ?
C00E C01H H01E 109.5 . . ?
C00E C01H H01F 109.5 . . ?
C00E C01H H01H 109.5 . . ?
H01E C01H H01F 109.5 . . ?
H01E C01H H01H 109.5 . . ?
H01F C01H H01H 109.5 . . ?
C018 C01I H01I 120.9 . . ?
C026 C01I C018 118.3(8) . . ?
C026 C01I H01I 120.9 . . ?
C00J C01J C011 122.2(8) . . ?
C02J C01J C00J 117.4(9) . . ?
C02J C01J C011 120.5(8) . . ?
C009 C01K H01O 119.9 . . ?
C013 C01K C009 120.1(10) . . ?
C013 C01K H01O 119.9 . . ?
N003 C01L C011 125.3(8) . . ?
N003 C01L C020 109.3(8) . . ?
C011 C01L C020 125.3(8) . . ?
C02B C01M H01P 119.8 . . ?
C02B C01M C02N 120.3(10) . . ?
C02N C01M H01P 119.8 . . ?
C01F C01N H01N 116.0 . . ?
C01F C01N C01P 128.1(8) . . ?
C01P C01N H01N 116.0 . . ?
C008 C01O C02E 125.2(8) . . ?
N00W C01O C008 126.0(8) . . ?
N00W C01O C02E 108.8(8) . . ?
N004 C01P C010 109.7(7) . . ?
N004 C01P C01N 124.0(8) . . ?
C01N C01P C010 126.3(8) . . ?
C00H C01Q C00R 123.5(8) . . ?
C00H C01Q C00Y 117.2(8) . . ?
C00R C01Q C00Y 119.2(8) . . ?
C00S C01R H01R 126.0 . . ?
C01U C01R C00S 108.0(8) . . ?
C01U C01R H01R 126.0 . . ?
C01A C01S C01F 107.5(8) . . ?
C01A C01S H01S 126.2 . . ?
C01F C01S H01S 126.2 . . ?
C00D C01T N00F 126.3(8) . . ?
C00D C01T C00N 124.3(8) . . ?
N00F C01T C00N 109.3(8) . . ?
C017 C01U H01U 126.4 . . ?
C01R C01U C017 107.3(8) . . ?
C01R C01U H01U 126.4 . . ?
C01B C01V H01V 119.2 . . ?
C01B C01V C02K 121.7(9) . . ?
C02K C01V H01V 119.2 . . ?
O00A C01W H01J 109.5 . . ?
O00A C01W H01K 109.5 . . ?
O00A C01W H01L 109.5 . . ?
H01J C01W H01K 109.5 . . ?
H01J C01W H01L 109.5 . . ?
H01K C01W H01L 109.5 . . ?
C022 C01X H01X 120.6 . . ?
C022 C01X C02G 118.9(10) . . ?
C02G C01X H01X 120.6 . . ?
C007 C01Y C015 108.3(8) . . ?
C007 C01Y H01Y 125.8 . . ?
C015 C01Y H01Y 125.8 . . ?
C00N C01Z C00P 108.7(8) . . ?
C00N C01Z H01Z 125.6 . . ?
C00P C01Z H01Z 125.6 . . ?
C01L C020 H020 125.9 . . ?
C023 C020 C01L 108.2(8) . . ?
C023 C020 H020 125.9 . . ?
H02E C021 H02F 109.5 . . ?
H02E C021 H02G 109.5 . . ?
H02F C021 H02G 109.5 . . ?
C02K C021 H02E 109.5 . . ?
C02K C021 H02F 109.5 . . ?
C02K C021 H02G 109.5 . . ?
C01X C022 H022 119.2 . . ?
C02B C022 C01X 121.6(10) . . ?
C02B C022 H022 119.2 . . ?
C00H C023 H023 126.3 . . ?
C020 C023 C00H 107.3(9) . . ?
C020 C023 H023 126.3 . . ?
C00U C024 N00W 127.7(8) . . ?
C00U C024 C025 124.6(8) . . ?
N00W C024 C025 107.6(8) . . ?
C024 C025 H025 126.2 . . ?
C02E C025 C024 107.6(8) . . ?
C02E C025 H025 126.2 . . ?
C00V C026 C01I 122.3(8) . . ?
C00V C026 H026 118.8 . . ?
C01I C026 H026 118.8 . . ?
C00J C027 H027 119.9 . . ?
C02A C027 C00J 120.1(10) . . ?
C02A C027 H027 119.9 . . ?
C01B C028 H028 118.9 . . ?
C01B C028 C02H 122.3(10) . . ?
C02H C028 H028 118.9 . . ?
O00M C029 H02H 109.5 . . ?
O00M C029 H02K 109.5 . . ?
O00M C029 H02L 109.5 . . ?
H02H C029 H02K 109.5 . . ?
H02H C029 H02L 109.5 . . ?
H02K C029 H02L 109.5 . . ?
C027 C02A H02A 120.1 . . ?
C02M C02A C027 119.8(10) . . ?
C02M C02A H02A 120.1 . . ?
C01M C02B C022 120.3(10) . . ?
C01M C02B H02N 119.9 . . ?
C022 C02B H02N 119.9 . . ?
C00O C02C C02L 119.8(10) . . ?
C02I C02C C00O 117.9(9) . . ?
C02I C02C C02L 122.2(10) . . ?
C00Y C02D C01C 119.6(9) . . ?
C02I C02D C00Y 119.8(9) . . ?
C02I C02D C01C 120.4(9) . . ?
C01O C02E H02O 125.8 . . ?
C025 C02E C01O 108.5(8) . . ?
C025 C02E H02O 125.8 . . ?
C02H C02F C00U 119.9(8) . . ?
C02H C02F C02K 119.0(9) . . ?
C02K C02F C00U 121.1(9) . . ?
C01X C02G C008 117.1(8) . . ?
C02N C02G C008 123.1(9) . . ?
C02N C02G C01X 119.8(9) . . ?
C028 C02H C00X 119.5(9) . . ?
C02F C02H C00X 120.7(8) . . ?
C02F C02H C028 119.8(9) . . ?
C02C C02I C02D 122.5(10) . . ?
C02C C02I H02I 118.7 . . ?
C02D C02I H02I 118.7 . . ?
C01J C02J H02J 119.2 . . ?
C01J C02J C02M 121.5(10) . . ?
C02M C02J H02J 119.2 . . ?
C01V C02K C021 120.1(9) . . ?
C01V C02K C02F 119.5(10) . . ?
C02F C02K C021 120.2(9) . . ?
C02C C02L H02B 109.5 . . ?
C02C C02L H02C 109.5 . . ?
C02C C02L H02D 109.5 . . ?
H02B C02L H02C 109.5 . . ?
H02B C02L H02D 109.5 . . ?
H02C C02L H02D 109.5 . . ?
C02A C02M C02J 120.0(10) . . ?
C02A C02M H02M 120.0 . . ?
C02J C02M H02M 120.0 . . ?
C01M C02N H02P 120.5 . . ?
C02G C02N C01M 119.1(9) . . ?
C02G C02N H02P 120.5 . . ?
C01B C02O H02Q 109.5 . . ?
C01B C02O H02R 109.5 . . ?
C01B C02O H02S 109.5 . . ?
H02Q C02O H02R 109.5 . . ?
H02Q C02O H02S 109.5 . . ?
H02R C02O H02S 109.5 . . ?

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
Pt01 N003 C00H C01Q -8.2(13) . . . . ?
Pt01 N003 C00H C023 176.5(6) . . . . ?
Pt01 N003 C01L C011 3.6(12) . . . . ?
Pt01 N003 C01L C020 -177.1(6) . . . . ?
Pt01 N004 C00C C00L -3.2(12) . . . . ?
Pt01 N004 C00C C016 177.4(5) . . . . ?
Pt01 N004 C01P C010 -177.0(6) . . . . ?
Pt01 N004 C01P C01N 1.6(11) . . . . ?
Pt01 N005 C00R C01A 178.3(6) . . . . ?
Pt01 N005 C00R C01Q -5.3(13) . . . . ?
Pt01 N005 C01F C01N 1.5(12) . . . . ?
Pt01 N005 C01F C01S -178.9(6) . . . . ?
Pt01 N006 C00I C00G -178.3(5) . . . . ?
Pt01 N006 C00I C011 4.5(11) . . . . ?
Pt01 N006 C00Q C00L -1.9(12) . . . . ?
Pt01 N006 C00Q C00Z 178.5(5) . . . . ?
Pt02 N00B C00S C012 2.9(12) . . . . ?
Pt02 N00B C00S C01R -177.0(6) . . . . ?
Pt02 N00B C017 C00D -1.7(13) . . . . ?
Pt02 N00B C017 C01U 176.8(6) . . . . ?
Pt02 N00F C00P C008 1.2(12) . . . . ?
Pt02 N00F C00P C01Z -179.6(6) . . . . ?
Pt02 N00F C01T C00D -4.4(13) . . . . ?
Pt02 N00F C01T C00N 178.3(5) . . . . ?
Pt02 N00K C015 C012 -3.4(12) . . . . ?
Pt02 N00K C015 C01Y 176.6(6) . . . . ?
Pt02 N00K C019 C007 -176.5(6) . . . . ?
Pt02 N00K C019 C00U 2.2(13) . . . . ?
Pt02 N00W C01O C008 -1.5(12) . . . . ?
Pt02 N00W C01O C02E 177.0(6) . . . . ?
Pt02 N00W C024 C00U 7.2(13) . . . . ?
Pt02 N00W C024 C025 -177.1(6) . . . . ?
N003 C00H C01Q C00R 5.9(15) . . . . ?
N003 C00H C01Q C00Y -174.5(8) . . . . ?
N003 C00H C023 C020 1.6(11) . . . . ?
N003 C01L C020 C023 -0.1(11) . . . . ?
N004 C00C C00L C00Q 0.6(14) . . . . ?
N004 C00C C00L C00V 177.8(8) . . . . ?
N004 C00C C016 C010 -0.4(10) . . . . ?
N005 C00R C01A C01S 1.0(10) . . . . ?
N005 C00R C01Q C00H 0.9(14) . . . . ?
N005 C00R C01Q C00Y -178.7(8) . . . . ?
N005 C01F C01N C01P -2.7(14) . . . . ?
N005 C01F C01S C01A 0.2(10) . . . . ?
N006 C00I C011 C01J 178.8(7) . . . . ?
N006 C00I C011 C01L -0.4(14) . . . . ?
N006 C00Q C00Z C00G -0.8(10) . . . . ?
C008 C00P C01Z C00N -179.3(8) . . . . ?
C008 C01O C02E C025 179.0(9) . . . . ?
C008 C02G C02N C01M -177.2(9) . . . . ?
C009 C01D C01E C014 -0.2(13) . . . . ?
O00A C018 C01G C00T -177.4(9) . . . . ?
O00A C018 C01I C026 178.3(9) . . . . ?
N00B C00S C012 C015 0.3(15) . . . . ?
N00B C00S C01R C01U -0.2(10) . . . . ?
N00B C017 C01U C01R 0.6(10) . . . . ?
C00C N004 C01P C010 0.4(9) . . . . ?
C00C N004 C01P C01N 179.0(8) . . . . ?
C00C C00L C00Q N006 2.0(13) . . . . ?
C00C C00L C00Q C00Z -178.5(8) . . . . ?
C00C C00L C00V C00T -113.4(10) . . . . ?
C00C C00L C00V C026 59.9(12) . . . . ?
C00D C017 C01U C01R 179.1(9) . . . . ?
C00D C01D C01E C014 177.3(8) . . . . ?
C00E C00O C02C C02I -0.1(15) . . . . ?
C00E C00O C02C C02L 175.6(9) . . . . ?
C00E C00Y C01Q C00H -106.6(10) . . . . ?
C00E C00Y C01Q C00R 73.0(11) . . . . ?
C00E C00Y C02D C01C -176.0(9) . . . . ?
C00E C00Y C02D C02I -2.3(14) . . . . ?
N00F C00P C01Z C00N 1.4(10) . . . . ?
C00G C00I C011 C01J 2.1(13) . . . . ?
C00G C00I C011 C01L -177.2(8) . . . . ?
C00H N003 C01L C011 -178.3(8) . . . . ?
C00H N003 C01L C020 1.0(10) . . . . ?
C00I N006 C00Q C00L -179.9(8) . . . . ?
C00I N006 C00Q C00Z 0.5(9) . . . . ?
C00I C00G C00Z C00Q 0.6(9) . . . . ?
C00I C011 C01J C00J -105.6(10) . . . . ?
C00I C011 C01J C02J 74.0(12) . . . . ?
C00I C011 C01L N003 -3.9(14) . . . . ?
C00I C011 C01L C020 176.9(9) . . . . ?
C00J C01J C02J C02M -0.1(18) . . . . ?
C00J C027 C02A C02M -3.5(18) . . . . ?
N00K C015 C01Y C007 0.0(10) . . . . ?
C00L C00C C016 C010 -179.8(8) . . . . ?
C00L C00Q C00Z C00G 179.7(8) . . . . ?
C00L C00V C026 C01I -169.9(9) . . . . ?
O00M C013 C014 C01E -178.1(8) . . . . ?
O00M C013 C01K C009 178.1(8) . . . . ?
C00O C00E C00Y C01Q -179.7(8) . . . . ?
C00O C00E C00Y C02D 0.3(14) . . . . ?
C00O C02C C02I C02D -2.0(15) . . . . ?
C00P C008 C01O N00W 7.2(14) . . . . ?
C00P C008 C01O C02E -171.0(9) . . . . ?
C00P C008 C02G C01X -111.2(10) . . . . ?
C00P C008 C02G C02N 67.1(12) . . . . ?
C00P N00F C01T C00D 176.2(8) . . . . ?
C00P N00F C01T C00N -1.0(9) . . . . ?
C00Q N006 C00I C00G -0.1(8) . . . . ?
C00Q N006 C00I C011 -177.3(8) . . . . ?
C00Q C00L C00V C00T 63.9(12) . . . . ?
C00Q C00L C00V C026 -122.8(9) . . . . ?
C00R N005 C01F C01N -179.3(8) . . . . ?
C00R N005 C01F C01S 0.3(9) . . . . ?
C00R C01A C01S C01F -0.7(10) . . . . ?
C00S N00B C017 C00D -179.2(8) . . . . ?
C00S N00B C017 C01U -0.7(9) . . . . ?
C00S C012 C015 N00K 0.0(15) . . . . ?
C00S C012 C015 C01Y 179.9(9) . . . . ?
C00S C01R C01U C017 -0.2(10) . . . . ?
C00T C00V C026 C01I 3.7(14) . . . . ?
C00U C024 C025 C02E 175.7(9) . . . . ?
C00U C02F C02H C00X 1.9(13) . . . . ?
C00U C02F C02H C028 -177.0(8) . . . . ?
C00U C02F C02K C01V 176.6(8) . . . . ?
C00U C02F C02K C021 -6.9(13) . . . . ?
C00V C00L C00Q N006 -175.1(7) . . . . ?
C00V C00L C00Q C00Z 4.4(12) . . . . ?
C00V C00T C01G C018 -0.8(14) . . . . ?
N00W C01O C02E C025 0.6(11) . . . . ?
N00W C024 C025 C02E -0.2(10) . . . . ?
C00Y C00E C00O C02C 0.9(14) . . . . ?
C00Y C02D C02I C02C 3.2(16) . . . . ?
C00Z C00G C00I N006 -0.3(9) . . . . ?
C00Z C00G C00I C011 176.8(8) . . . . ?
C011 C01J C02J C02M -179.7(11) . . . . ?
C011 C01L C020 C023 179.2(9) . . . . ?
C012 C00S C01R C01U 179.9(8) . . . . ?
C012 C015 C01Y C007 -179.9(9) . . . . ?
C013 C014 C01E C01D -0.4(13) . . . . ?
C014 C013 C01K C009 -0.8(13) . . . . ?
C015 N00K C019 C007 0.3(9) . . . . ?
C015 N00K C019 C00U 178.9(8) . . . . ?
C016 C00C C00L C00Q 179.9(8) . . . . ?
C016 C00C C00L C00V -2.9(13) . . . . ?
C016 C010 C01P N004 -0.7(10) . . . . ?
C016 C010 C01P C01N -179.3(8) . . . . ?
C017 N00B C00S C012 -179.6(8) . . . . ?
C017 N00B C00S C01R 0.5(9) . . . . ?
C017 C00D C01D C009 63.0(11) . . . . ?
C017 C00D C01D C01E -114.3(9) . . . . ?
C017 C00D C01T N00F 0.9(14) . . . . ?
C017 C00D C01T C00N 177.8(8) . . . . ?
C018 C01I C026 C00V -0.7(14) . . . . ?
C019 C007 C01Y C015 0.1(10) . . . . ?
C019 N00K C015 C012 179.8(8) . . . . ?
C019 N00K C015 C01Y -0.2(9) . . . . ?
C019 C00U C024 N00W -3.3(15) . . . . ?
C019 C00U C024 C025 -178.3(8) . . . . ?
C019 C00U C02F C02H -86.8(11) . . . . ?
C019 C00U C02F C02K 94.9(10) . . . . ?
C01A C00R C01Q C00H 177.1(8) . . . . ?
C01A C00R C01Q C00Y -2.5(13) . . . . ?
C01B C01V C02K C021 -176.2(9) . . . . ?
C01B C01V C02K C02F 0.3(14) . . . . ?
C01B C028 C02H C00X -178.5(9) . . . . ?
C01B C028 C02H C02F 0.4(14) . . . . ?
C01C C02D C02I C02C 176.9(10) . . . . ?
C01D C009 C01K C013 0.2(13) . . . . ?
C01D C00D C017 N00B -179.7(8) . . . . ?
C01D C00D C017 C01U 2.0(13) . . . . ?
C01D C00D C01T N00F -177.1(8) . . . . ?
C01D C00D C01T C00N -0.2(13) . . . . ?
C01F N005 C00R C01A -0.8(9) . . . . ?
C01F N005 C00R C01Q 175.6(8) . . . . ?
C01F C01N C01P N004 1.1(14) . . . . ?
C01F C01N C01P C010 179.4(9) . . . . ?
C01G C00T C00V C00L 170.5(9) . . . . ?
C01G C00T C00V C026 -2.9(14) . . . . ?
C01G C018 C01I C026 -3.1(14) . . . . ?
C01H C00E C00O C02C -177.8(9) . . . . ?
C01H C00E C00Y C01Q -1.1(13) . . . . ?
C01H C00E C00Y C02D 178.9(9) . . . . ?
C01I C018 C01G C00T 3.9(14) . . . . ?
C01J C00J C027 C02A 2.4(15) . . . . ?
C01J C011 C01L N003 176.8(8) . . . . ?
C01J C011 C01L C020 -2.4(13) . . . . ?
C01J C02J C02M C02A -1(2) . . . . ?
C01K C009 C01D C00D -177.1(8) . . . . ?
C01K C009 C01D C01E 0.3(12) . . . . ?
C01K C013 C014 C01E 0.9(13) . . . . ?
C01L N003 C00H C01Q 173.7(9) . . . . ?
C01L N003 C00H C023 -1.6(10) . . . . ?
C01L C011 C01J C00J 73.7(11) . . . . ?
C01L C011 C01J C02J -106.7(11) . . . . ?
C01L C020 C023 C00H -0.9(11) . . . . ?
C01N C01F C01S C01A 179.9(9) . . . . ?
C01O C008 C00P N00F -7.0(14) . . . . ?
C01O C008 C00P C01Z 173.9(8) . . . . ?
C01O C008 C02G C01X 66.5(11) . . . . ?
C01O C008 C02G C02N -115.2(10) . . . . ?
C01O N00W C024 C00U -175.2(9) . . . . ?
C01O N00W C024 C025 0.5(9) . . . . ?
C01P N004 C00C C00L 179.4(8) . . . . ?
C01P N004 C00C C016 0.0(9) . . . . ?
C01P C010 C016 C00C 0.7(10) . . . . ?
C01Q C00H C023 C020 -173.6(9) . . . . ?
C01Q C00R C01A C01S -175.5(8) . . . . ?
C01Q C00Y C02D C01C 4.0(14) . . . . ?
C01Q C00Y C02D C02I 177.7(9) . . . . ?
C01R C00S C012 C015 -179.9(9) . . . . ?
C01S C01F C01N C01P 177.7(8) . . . . ?
C01T C00D C017 N00B 2.3(14) . . . . ?
C01T C00D C017 C01U -176.0(8) . . . . ?
C01T C00D C01D C009 -118.9(10) . . . . ?
C01T C00D C01D C01E 63.8(11) . . . . ?
C01T N00F C00P C008 -179.4(8) . . . . ?
C01T N00F C00P C01Z -0.2(9) . . . . ?
C01T C00N C01Z C00P -2.0(10) . . . . ?
C01V C01B C028 C02H -1.9(14) . . . . ?
C01W O00A C018 C01G 173.5(9) . . . . ?
C01W O00A C018 C01I -7.9(14) . . . . ?
C01X C022 C02B C01M 1.3(17) . . . . ?
C01X C02G C02N C01M 1.0(14) . . . . ?
C01Y C007 C019 N00K -0.3(10) . . . . ?
C01Y C007 C019 C00U -178.9(8) . . . . ?
C01Z C00N C01T C00D -175.4(8) . . . . ?
C01Z C00N C01T N00F 2.0(10) . . . . ?
C022 C01X C02G C008 175.3(9) . . . . ?
C022 C01X C02G C02N -3.1(15) . . . . ?
C023 C00H C01Q C00R -179.7(9) . . . . ?
C023 C00H C01Q C00Y 0.0(14) . . . . ?
C024 C00U C019 C007 176.8(9) . . . . ?
C024 C00U C019 N00K -1.7(14) . . . . ?
C024 C00U C02F C02H 93.7(11) . . . . ?
C024 C00U C02F C02K -84.6(11) . . . . ?
C024 N00W C01O C008 -179.1(8) . . . . ?
C024 N00W C01O C02E -0.7(10) . . . . ?
C024 C025 C02E C01O -0.2(11) . . . . ?
C027 C00J C01J C011 179.0(9) . . . . ?
C027 C00J C01J C02J -0.6(15) . . . . ?
C027 C02A C02M C02J 3(2) . . . . ?
C028 C01B C01V C02K 1.5(14) . . . . ?
C029 O00M C013 C014 161.9(8) . . . . ?
C029 O00M C013 C01K -17.0(13) . . . . ?
C02B C01M C02N C02G 2.3(15) . . . . ?
C02D C00Y C01Q C00H 73.3(12) . . . . ?
C02D C00Y C01Q C00R -107.0(10) . . . . ?
C02F C00U C019 C007 -2.7(13) . . . . ?
C02F C00U C019 N00K 178.8(8) . . . . ?
C02F C00U C024 N00W 176.2(8) . . . . ?
C02F C00U C024 C025 1.2(14) . . . . ?
C02G C008 C00P N00F 170.6(8) . . . . ?
C02G C008 C00P C01Z -8.6(13) . . . . ?
C02G C008 C01O N00W -170.4(8) . . . . ?
C02G C008 C01O C02E 11.5(13) . . . . ?
C02G C01X C022 C02B 2.0(16) . . . . ?
C02H C02F C02K C01V -1.8(13) . . . . ?
C02H C02F C02K C021 174.8(9) . . . . ?
C02K C02F C02H C00X -179.7(8) . . . . ?
C02K C02F C02H C028 1.4(13) . . . . ?
C02L C02C C02I C02D -177.6(10) . . . . ?
C02N C01M C02B C022 -3.5(16) . . . . ?
C02O C01B C01V C02K -177.4(9) . . . . ?
C02O C01B C028 C02H 177.0(9) . . . . ?

_olex2_exptl_crystal_mounting_method fiber
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.285
_oxdiff_exptl_absorpt_empirical_full_min 0.843
####################################################################### 
# 
# 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_exp_799_auto
_database_code_depnum_ccdc_archive 'CCDC 2386892'
loop_
_audit_author_name
_audit_author_address
'Ryo Inoue'
;University of Hyogo
Japan
;
_audit_update_record             
;
2024-12-06 deposited with the CCDC.	2024-12-10 downloaded from the CCDC.
;
_audit_creation_date             2024-12-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C78 H58 N8 O2 Pt2), 2(C H Cl3), C6 H14'
_chemical_formula_sum            'C164 H132 Cl6 N16 O4 Pt4'
_chemical_formula_weight         3383.91
_chemical_melting_point          ?
_chemical_oxdiff_formula         C85H65N8O2Pt2Cl3
_chemical_oxdiff_usercomment     '150 K'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.3270(2)
_cell_length_b                   16.6957(2)
_cell_length_c                   17.5885(3)
_cell_angle_alpha                94.9910(10)
_cell_angle_beta                 93.2430(10)
_cell_angle_gamma                90.9970(10)
_cell_volume                     3307.45(9)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    25378
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      75.3140
_cell_measurement_theta_min      3.4430
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    9.368
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.46732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_density_diffrn    1.699
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1674
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_unetI/netI     0.0505
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            46056
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.398
_diffrn_reflns_theta_min         2.526
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -75.00 -50.00   0.50    0.54    --  -46.17 122.00-155.00   50
  2  ω   -117.00 -83.00   0.50    0.54    --  -46.17-150.00 -38.00   68
  3  ω     15.00  90.00   0.50    0.54    --   46.17-122.00 122.00  150
  4  ω     56.00 104.00   0.50    0.54    --   46.17 150.00   5.00   96
  5  ω     67.00 110.00   0.50    0.54    --   46.17-150.00 -38.00   86
  6  ω   -138.00 -96.00   0.50    2.14    -- -105.02-122.00 122.00   84
  7  ω   -110.00 -78.00   0.50    2.14    -- -105.02 122.00-155.00   64
  8  ω   -128.00 -33.00   0.50    2.14    -- -105.02 150.00   5.00  190
  9  ω    -75.00 -37.00   0.50    2.14    -- -105.02 122.00-155.00   76
 10  ω   -117.00 -92.00   0.50    2.14    -- -105.02-150.00 -38.00   50
 11  ω     89.00 129.00   0.50    2.14    --  105.02 122.00-155.00   80
 12  ω     86.00 111.00   0.50    2.14    --  105.02 150.00   5.00   50
 13  ω     56.00  82.00   0.50    2.14    --  105.02-122.00 122.00   52
 14  ω     32.00 129.00   0.50    2.14    --  105.02-150.00 -38.00  194
 15  ω    -12.00  28.00   0.50    0.54    --  -46.17  19.00-180.00   80
 16  ω   -108.00 -72.00   0.50    0.54    --  -46.17 -57.00-150.00   72
 17  ω    -69.00 -44.00   0.50    0.54    --  -46.17 -57.00-150.00   50
 18  ω    -92.00 -67.00   0.50    0.54    --  -46.17 150.00   5.00   50
 19  ω     24.00 117.00   0.50    0.54    --   46.17  77.00-180.00  186
 20  ω    -18.00  20.00   0.50    0.54    --   46.17 -19.00-120.00   76
 21  ω    -28.00  17.00   0.50    0.54    --   46.17 -19.00-150.00   90
 22  ω    -29.00   9.00   0.50    0.54    --   46.17 -19.00 -30.00   76
 23  ω    -29.00  -3.00   0.50    0.54    --   46.17 -19.00 -60.00   52
 24  ω   -112.00 -55.00   0.50    2.14    -- -105.02 125.00 -60.00  114
 25  ω    -60.00 -35.00   0.50    2.14    -- -105.02  61.00 -60.00   50
 26  ω    -68.00 -39.00   0.50    2.14    -- -105.02  61.00  30.00   58
 27  ω    -73.00 -32.00   0.50    2.14    -- -105.02  61.00 -30.00   82
 28  ω    -73.00 -32.00   0.50    2.14    -- -105.02   0.00 -60.00   82
 29  ω    -76.00 -36.00   0.50    2.14    -- -105.02 125.00 -90.00   80
 30  ω    -72.00 -44.00   0.50    2.14    -- -105.02   0.00-120.00   56
 31  ω   -112.00 -87.00   0.50    2.14    -- -105.02 125.00 -90.00   50
 32  ω    -73.00 -46.00   0.50    2.14    -- -105.02   0.00-180.00   54
 33  ω    -72.00 -36.00   0.50    2.14    -- -105.02  61.00-150.00   72
 34  ω    -75.00 -41.00   0.50    2.14    -- -105.02   0.00  90.00   68
 35  ω    -72.00 -32.00   0.50    2.14    -- -105.02  61.00-120.00   80
 36  ω    -67.00 -42.00   0.50    2.14    -- -105.02   0.00 -90.00   50
 37  ω    -73.00 -32.00   0.50    2.14    -- -105.02  61.00-180.00   82
 38  ω   -111.00 -57.00   0.50    2.14    -- -105.02 125.00  90.00  108
 39  ω    -69.00 -36.00   0.50    2.14    -- -105.02   0.00 120.00   66
 40  ω    -73.00 -33.00   0.50    2.14    -- -105.02   0.00   0.00   80
 41  ω     43.00  69.00   0.50    2.14    --  105.02 -61.00-180.00   52
 42  ω     66.00 102.00   0.50    2.14    --  105.02 -94.00 -30.00   72
 43  ω     33.00  73.00   0.50    2.14    --  105.02 -61.00  30.00   80
 44  ω     85.00 110.00   0.50    2.14    --  105.02-125.00-150.00   50
 45  ω     87.00 153.00   0.50    2.14    --  105.02  77.00  90.00  132
 46  ω     32.00  73.00   0.50    2.14    --  105.02 -61.00 -30.00   82
 47  ω     90.00 169.00   0.50    2.14    --  105.02  61.00 120.00  158
 48  ω     37.00  73.00   0.50    2.14    --  105.02 -61.00   0.00   72
 49  ω     79.00 104.00   0.50    2.14    --  105.02 -94.00   0.00   50
 50  ω     74.00  99.00   0.50    2.14    --  105.02 -94.00 120.00   50
 51  ω     46.00  71.00   0.50    2.14    --  105.02 -94.00 120.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0200136000
_diffrn_orient_matrix_UB_12      0.0190727000
_diffrn_orient_matrix_UB_13      -0.0838335000
_diffrn_orient_matrix_UB_21      0.0127315000
_diffrn_orient_matrix_UB_22      0.0905901000
_diffrn_orient_matrix_UB_23      0.0251993000
_diffrn_orient_matrix_UB_31      0.1341794000
_diffrn_orient_matrix_UB_32      -0.0036395000
_diffrn_orient_matrix_UB_33      -0.0096803000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11389
_reflns_number_total             13284
_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 1.171.42.72a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         6.250
_refine_diff_density_min         -2.036
_refine_diff_density_rms         0.222
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     914
_refine_ls_number_reflns         13284
_refine_ls_number_restraints     891
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0627
_refine_ls_restrained_S_all      1.063
_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)+(0.0688P)²+55.8941P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1733
_refine_ls_wR_factor_ref         0.1788
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Cl-C02P \\sim ClA-C02Q
 with sigma of 0.02
 Cl1-C02P \\sim Cl1A-C02Q
 with sigma of 0.02
 Cl2-C02P \\sim Cl2A-C02Q
 with sigma of 0.02
 Cl-Cl1 \\sim ClA-Cl1A
 with sigma of 0.04
 Cl-Cl2 \\sim ClA-Cl2A
 with sigma of 0.04
 Cl1-Cl2 \\sim Cl1A-Cl2A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(C02Q) = Uanis(C02P)
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(ClA)=Sof(Cl1A)=Sof(Cl2A)=Sof(C02Q)=Sof(H3)=1-FVAR(1)
 Sof(Cl)=Sof(Cl1)=Sof(Cl2)=Sof(C02P)=Sof(H2)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C02P(H2), C02Q(H3)
6.b Secondary CH2 refined with riding coordinates:
 C01G(H01A,H01C), C026(H02,H)
6.c Aromatic/amide H refined with riding coordinates:
 C00J(H00J), C00K(H00K), C00L(H00L), C00O(H00O), C00R(H00R), C00S(H00S),
 C00T(H00T), C00V(H00V), C00W(H00W), C00X(H00X), C00Y(H00Y), C011(H011),
 C017(H017), C019(H019), C01B(H01B), C01E(H01E), C01F(H01F), C01I(H01I),
 C01J(H01J), C01K(H01K), C01O(H01O), C01Q(H01Q), C01R(H01R), C01S(H01S),
 C01X(H01X), C01Z(H01Z), C023(H023), C027(H027), C02A(H02D), C02E(H02H),
 C02F(H02I), C02G(H02J), C02I(H02N), C02K(H02R)
6.d Idealised Me refined as rotating group:
 C024(H02A,H02B,H02C), C029(H1,HA,HB), C02D(H02E,H02F,H02G), C02H(H02K,H02L,
 H02M), C02J(H02O,H02P,H02Q), C02L(H02S,H02T,H02U), C02M(H02V,H02W,H02X),
 C02N(H02Y,HC,HD), C02O(H02Z,HE,HF)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.38420(3) 0.49159(2) 0.68527(2) 0.02400(11) Uani 1 1 d . . . . .
Pt02 Pt 0.75180(3) 0.38161(2) 0.87752(2) 0.02675(12) Uani 1 1 d . . . . .
N003 N 0.4996(6) 0.5540(4) 0.6271(4) 0.0249(14) Uani 1 1 d . . . . .
Cl Cl -0.0363(6) 1.1240(6) 0.3981(6) 0.095(3) Uani 0.583(12) 1 d D . P A 1
O005 O 0.3755(8) 1.0040(4) 0.5509(5) 0.0493(19) Uani 1 1 d . . . . .
N006 N 0.2656(6) 0.4288(4) 0.7400(4) 0.0255(14) Uani 1 1 d . . . . .
N007 N 0.4741(7) 0.3896(4) 0.6616(4) 0.0271(14) Uani 1 1 d . . . . .
N008 N 0.8183(7) 0.3064(4) 0.7940(4) 0.0289(15) Uani 1 1 d . . . . .
N009 N 0.2938(7) 0.5936(4) 0.7097(4) 0.0263(14) Uani 1 1 d . . . . .
Cl1 Cl 0.1920(9) 1.0574(6) 0.4281(5) 0.091(3) Uani 0.583(12) 1 d D . P A 1
N00B N 0.7468(7) 0.2888(5) 0.9454(4) 0.0315(15) Uani 1 1 d . . . . .
N00C N 0.6881(7) 0.4568(4) 0.9615(4) 0.0285(15) Uani 1 1 d . . . . .
O00D O 0.5597(7) 0.9118(4) 0.9043(5) 0.0481(18) Uani 1 1 d . . . . .
N00E N 0.7614(7) 0.4738(4) 0.8112(4) 0.0287(14) Uani 1 1 d . . . . .
Cl2 Cl 0.1742(7) 1.2155(6) 0.3762(6) 0.099(3) Uani 0.583(12) 1 d D . P A 1
C00G C 0.4082(8) 0.6864(5) 0.6407(5) 0.0297(17) Uani 1 1 d . . . . .
C00H C 0.6378(8) 0.4455(5) 0.5927(5) 0.0270(16) Uani 1 1 d . . . . .
C00I C 0.3198(8) 0.6694(5) 0.6876(5) 0.0291(17) Uani 1 1 d . . . . .
C00J C 0.8840(9) 0.1941(6) 0.7261(6) 0.035(2) Uani 1 1 d . . . . .
H00J H 0.908335 0.141920 0.713759 0.042 Uiso 1 1 calc R U . . .
C00K C 0.9803(8) 0.3948(5) 0.5069(5) 0.0288(17) Uani 1 1 d . . . . .
H00K H 1.054218 0.384102 0.488358 0.035 Uiso 1 1 calc R U . . .
C00L C 0.6497(8) 0.5864(6) 0.5529(6) 0.0317(18) Uani 1 1 d . . . . .
H00L H 0.717241 0.582095 0.525266 0.038 Uiso 1 1 calc R U . . .
C00M C 0.4443(8) 0.3145(5) 0.6809(5) 0.0272(16) Uani 1 1 d . . . . .
C00N C 0.5757(7) 0.3837(5) 0.6229(5) 0.0246(15) Uani 1 1 d . . . . .
C00O C 0.6149(9) 0.5066(6) 1.0740(6) 0.0355(19) Uani 1 1 d . . . . .
H00O H 0.589529 0.508597 1.123472 0.043 Uiso 1 1 calc R U . . .
C00P C 0.5963(7) 0.5238(5) 0.5914(5) 0.0261(16) Uani 1 1 d . . . . .
C00Q C 0.8540(8) 0.4075(5) 0.6134(5) 0.0277(16) Uani 1 1 d . . . . .
C00R C 0.1061(9) 0.3951(6) 0.8065(6) 0.0329(18) Uani 1 1 d . . . . .
H00R H 0.038020 0.400117 0.833540 0.039 Uiso 1 1 calc R U . . .
C00S C 0.9616(8) 0.3925(6) 0.5850(6) 0.0327(18) Uani 1 1 d . . . . .
H00S H 1.024384 0.380409 0.618191 0.039 Uiso 1 1 calc R U . . .
C00T C 0.5845(8) 0.6521(5) 0.5642(6) 0.0323(18) Uani 1 1 d . . . . .
H00T H 0.596475 0.701133 0.544213 0.039 Uiso 1 1 calc R U . . .
C00U C 0.8340(8) 0.4006(5) 0.6955(5) 0.0287(16) Uani 1 1 d . . . . .
C00V C 0.1575(9) 0.6830(6) 0.7558(6) 0.035(2) Uani 1 1 d . . . . .
H00V H 0.093153 0.703995 0.780715 0.042 Uiso 1 1 calc R U . . .
C00W C 0.6099(8) 0.3008(5) 0.6174(6) 0.0305(18) Uani 1 1 d . . . . .
H00W H 0.675030 0.279913 0.593208 0.037 Uiso 1 1 calc R U . . .
C00X C 0.8807(9) 0.2543(6) 0.6800(6) 0.0337(19) Uani 1 1 d . . . . .
H00X H 0.899853 0.250524 0.629086 0.040 Uiso 1 1 calc R U . . .
C00Y C 0.7774(8) 0.4294(5) 0.4861(5) 0.0298(17) Uani 1 1 d . . . . .
H00Y H 0.715215 0.442025 0.452746 0.036 Uiso 1 1 calc R U . . .
C00Z C 0.3482(8) 0.2938(5) 0.7221(5) 0.0300(17) Uani 1 1 d . . . . .
C010 C 0.1935(8) 0.6000(5) 0.7510(5) 0.0289(17) Uani 1 1 d . . . . .
C011 C 0.8097(8) 0.5496(5) 0.7152(5) 0.0307(18) Uani 1 1 d . . . . .
H011 H 0.838573 0.563488 0.669491 0.037 Uiso 1 1 calc R U . . .
C012 C 0.6820(9) 0.5825(6) 0.8964(6) 0.0347(18) Uani 1 1 d . . . . .
C013 C 0.2677(8) 0.3477(5) 0.7486(5) 0.0279(17) Uani 1 1 d . . . . .
C014 C 0.8426(8) 0.3250(5) 0.7228(5) 0.0293(17) Uani 1 1 d . . . . .
C015 C 0.7586(8) 0.4270(5) 0.5631(5) 0.0257(15) Uani 1 1 d . . . . .
C016 C 0.1679(8) 0.4581(5) 0.7746(5) 0.0278(16) Uani 1 1 d . . . . .
C017 C 0.8863(9) 0.4134(6) 0.4579(6) 0.0341(19) Uani 1 1 d . . . . .
H017 H 0.896932 0.415109 0.406023 0.041 Uiso 1 1 calc R U . . .
C018 C 0.3311(8) 0.2068(5) 0.7367(6) 0.0326(17) Uani 1 1 d . . . . .
C019 C 0.1650(9) 0.3273(6) 0.7902(6) 0.0348(19) Uani 1 1 d . . . . .
H019 H 0.144099 0.276283 0.803085 0.042 Uiso 1 1 calc R U . . .
C01A C 0.3901(9) 0.1779(6) 0.8002(6) 0.0366(19) Uani 1 1 d . . . . .
C01B C 0.6148(9) 0.5671(6) 1.0292(6) 0.0358(19) Uani 1 1 d . . . . .
H01B H 0.588982 0.618859 1.041829 0.043 Uiso 1 1 calc R U . . .
C01C C 0.7320(8) 0.5532(5) 0.8303(5) 0.0309(17) Uani 1 1 d . . . . .
C01D C 0.7090(8) 0.2934(6) 1.0179(6) 0.0328(18) Uani 1 1 d . . . . .
C01E C 0.6649(9) 0.8059(6) 0.9644(6) 0.039(2) Uani 1 1 d . . . . .
H01E H 0.695715 0.841299 1.004642 0.046 Uiso 1 1 calc R U . . .
C01F C 0.3703(10) 0.0970(6) 0.8138(7) 0.041(2) Uani 1 1 d . . . . .
H01F H 0.411428 0.076441 0.854833 0.050 Uiso 1 1 calc R U . . .
C01G C 0.9717(9) 0.6149(6) 0.9978(6) 0.036(2) Uani 1 1 d . . . . .
H01A H 0.890408 0.614343 1.012505 0.043 Uiso 1 1 calc R U . . .
H01C H 1.021572 0.632968 1.042896 0.043 Uiso 1 1 calc R U . . .
C01H C 0.8274(8) 0.1814(6) 0.8604(6) 0.0327(17) Uani 1 1 d . . . . .
C01I C 0.1353(8) 0.5379(5) 0.7797(5) 0.0295(17) Uani 1 1 d . . . . .
H01I H 0.067353 0.550408 0.805138 0.035 Uiso 1 1 calc R U . . .
C01J C 0.4955(10) 0.8273(6) 0.6413(6) 0.039(2) Uani 1 1 d . . . . .
H01J H 0.559700 0.813350 0.672397 0.047 Uiso 1 1 calc R U . . .
C01K C 0.6690(8) 0.3624(6) 1.0578(6) 0.0329(18) Uani 1 1 d . . . . .
H01K H 0.644935 0.357342 1.106869 0.039 Uiso 1 1 calc R U . . .
C01L C 0.8029(8) 0.4700(5) 0.7401(5) 0.0277(16) Uani 1 1 d . . . . .
C01M C 0.8590(9) 0.0943(6) 0.8521(6) 0.0345(18) Uani 1 1 d . . . . .
C01N C 0.2491(9) 0.1580(6) 0.6899(7) 0.039(2) Uani 1 1 d . . . . .
C01O C 0.7198(9) 0.2169(6) 1.0479(6) 0.038(2) Uani 1 1 d . . . . .
H01O H 0.698897 0.204058 1.095816 0.045 Uiso 1 1 calc R U . . .
C01P C 0.8426(8) 0.2259(5) 0.7983(5) 0.0286(17) Uani 1 1 d . . . . .
C01Q C 0.5720(9) 0.6989(6) 0.8452(6) 0.0339(19) Uani 1 1 d . . . . .
H01Q H 0.540146 0.663128 0.805536 0.041 Uiso 1 1 calc R U . . .
C01R C 0.7670(9) 0.6001(6) 0.7696(6) 0.0345(19) Uani 1 1 d . . . . .
H01R H 0.760804 0.655495 0.768650 0.041 Uiso 1 1 calc R U . . .
C01S C 0.6927(9) 0.7245(6) 0.9610(6) 0.036(2) Uani 1 1 d . . . . .
H01S H 0.742551 0.706325 0.999335 0.043 Uiso 1 1 calc R U . . .
C01T C 0.4093(9) 0.7705(6) 0.6158(6) 0.0331(18) Uani 1 1 d . . . . .
C01U C 0.6618(8) 0.4373(6) 1.0314(5) 0.0311(17) Uani 1 1 d . . . . .
C01V C 0.2914(10) 0.0471(6) 0.7680(7) 0.045(2) Uani 1 1 d . . . . .
C01W C 0.6618(8) 0.5381(5) 0.9579(5) 0.0306(17) Uani 1 1 d . . . . .
C01X C 0.5322(8) 0.2594(6) 0.6530(6) 0.0328(19) Uani 1 1 d . . . . .
H01X H 0.533920 0.204570 0.658958 0.039 Uiso 1 1 calc R U . . .
C01Y C 0.5907(10) 0.8333(6) 0.9069(6) 0.039(2) Uani 1 1 d . . . . .
C01Z C 0.7665(9) 0.1665(6) 0.9930(6) 0.0359(19) Uani 1 1 d . . . . .
H01Z H 0.784591 0.112798 0.996643 0.043 Uiso 1 1 calc R U . . .
C020 C 0.7802(10) 0.0373(6) 0.8128(6) 0.040(2) Uani 1 1 d . . . . .
C021 C 0.4943(8) 0.6329(5) 0.6121(5) 0.0302(17) Uani 1 1 d . . . . .
C022 C 0.6481(9) 0.6703(6) 0.9020(6) 0.0335(18) Uani 1 1 d . . . . .
C023 C 0.2340(9) 0.7240(6) 0.7177(6) 0.0343(19) Uani 1 1 d . . . . .
H023 H 0.231935 0.778726 0.711679 0.041 Uiso 1 1 calc R U . . .
C024 C 0.4769(11) 0.2305(7) 0.8506(7) 0.045(2) Uani 1 1 d . . . . .
H02A H 0.541662 0.245463 0.821424 0.068 Uiso 1 1 calc R U . . .
H02B H 0.506222 0.201667 0.892358 0.068 Uiso 1 1 calc R U . . .
H02C H 0.438279 0.278055 0.870187 0.068 Uiso 1 1 calc R U . . .
C025 C 0.7827(8) 0.2118(6) 0.9286(5) 0.0318(17) Uani 1 1 d . . . . .
C026 C 1.0049(9) 0.5296(6) 0.9702(6) 0.035(2) Uani 1 1 d . . . . .
H02 H 0.953786 0.511173 0.925764 0.042 Uiso 1 1 calc R U . . .
H H 1.085528 0.530432 0.954385 0.042 Uiso 1 1 calc R U . . .
C027 C 0.4865(10) 0.9060(6) 0.6205(6) 0.041(2) Uani 1 1 d . . . . .
H027 H 0.544966 0.944040 0.638083 0.050 Uiso 1 1 calc R U . . .
C028 C 0.9148(12) -0.0693(7) 0.8412(7) 0.051(3) Uani 1 1 d . . . . .
C029 C 0.9842(10) 0.6740(6) 0.9386(7) 0.042(2) Uani 1 1 d . . . . .
H1 H 0.927841 0.660446 0.896398 0.063 Uiso 1 1 calc R U . . .
HA H 1.062742 0.671992 0.920819 0.063 Uiso 1 1 calc R U . . .
HB H 0.969924 0.727292 0.960837 0.063 Uiso 1 1 calc R U . . .
C02A C 0.5432(10) 0.7800(6) 0.8472(6) 0.040(2) Uani 1 1 d . . . . .
H02D H 0.492901 0.798225 0.809080 0.048 Uiso 1 1 calc R U . . .
C02B C 0.3941(10) 0.9278(6) 0.5751(6) 0.040(2) Uani 1 1 d . . . . .
C02C C 0.9683(10) 0.0684(7) 0.8836(6) 0.043(2) Uani 1 1 d . . . . .
C02D C 0.1840(11) 0.1894(7) 0.6223(8) 0.052(3) Uani 1 1 d . . . . .
H02E H 0.147910 0.145255 0.590138 0.078 Uiso 1 1 calc R U . . .
H02F H 0.238507 0.217747 0.593856 0.078 Uiso 1 1 calc R U . . .
H02G H 0.123927 0.225314 0.639722 0.078 Uiso 1 1 calc R U . . .
C02E C 0.2319(10) 0.0789(6) 0.7075(7) 0.047(2) Uani 1 1 d . . . . .
H02H H 0.177808 0.046125 0.676983 0.056 Uiso 1 1 calc R U . . .
C02F C 0.9917(12) -0.0125(7) 0.8778(7) 0.054(3) Uani 1 1 d . . . . .
H02I H 1.062699 -0.029306 0.899642 0.065 Uiso 1 1 calc R U . . .
C02G C 0.3159(9) 0.7930(6) 0.5670(6) 0.037(2) Uani 1 1 d . . . . .
H02J H 0.258203 0.754836 0.548425 0.045 Uiso 1 1 calc R U . . .
C02H C 0.6229(12) 0.9695(7) 0.9570(8) 0.055(3) Uani 1 1 d . . . . .
H02K H 0.604273 1.022767 0.944262 0.083 Uiso 1 1 calc R U . . .
H02L H 0.706328 0.961631 0.954157 0.083 Uiso 1 1 calc R U . . .
H02M H 0.600479 0.962767 1.007909 0.083 Uiso 1 1 calc R U . . .
C02I C 0.3076(10) 0.8715(6) 0.5458(6) 0.041(2) Uani 1 1 d . . . . .
H02N H 0.245837 0.885808 0.512931 0.049 Uiso 1 1 calc R U . . .
C02J C 0.6656(11) 0.0616(7) 0.7752(9) 0.056(3) Uani 1 1 d . . . . .
H02O H 0.637149 0.108480 0.803406 0.084 Uiso 1 1 calc R U . . .
H02P H 0.608322 0.018411 0.774492 0.084 Uiso 1 1 calc R U . . .
H02Q H 0.678021 0.073397 0.723807 0.084 Uiso 1 1 calc R U . . .
C02K C 0.8085(12) -0.0439(7) 0.8074(7) 0.050(3) Uani 1 1 d . . . . .
H02R H 0.756293 -0.081547 0.781027 0.060 Uiso 1 1 calc R U . . .
C02L C 0.4568(12) 1.0649(7) 0.5844(8) 0.052(3) Uani 1 1 d . . . . .
H02S H 0.534979 1.052669 0.569133 0.078 Uiso 1 1 calc R U . . .
H02T H 0.455796 1.066924 0.639117 0.078 Uiso 1 1 calc R U . . .
H02U H 0.434426 1.115956 0.567709 0.078 Uiso 1 1 calc R U . . .
C02M C 0.2764(13) -0.0408(7) 0.7836(10) 0.065(4) Uani 1 1 d . . . . .
H02V H 0.325211 -0.073429 0.751120 0.098 Uiso 1 1 calc R U . . .
H02W H 0.195082 -0.057478 0.773379 0.098 Uiso 1 1 calc R U . . .
H02X H 0.299408 -0.046794 0.836141 0.098 Uiso 1 1 calc R U . . .
C02N C 1.0554(12) 0.1268(8) 0.9227(8) 0.059(3) Uani 1 1 d . . . . .
H02Y H 1.047748 0.128870 0.976921 0.088 Uiso 1 1 calc R U . . .
HC H 1.041458 0.179044 0.905549 0.088 Uiso 1 1 calc R U . . .
HD H 1.133740 0.110597 0.911122 0.088 Uiso 1 1 calc R U . . .
C02O C 0.9431(16) -0.1568(8) 0.8337(10) 0.073(4) Uani 1 1 d . . . . .
H02Z H 0.953338 -0.173961 0.780961 0.110 Uiso 1 1 calc R U . . .
HE H 0.879463 -0.187342 0.851696 0.110 Uiso 1 1 calc R U . . .
HF H 1.014723 -0.165237 0.863499 0.110 Uiso 1 1 calc R U . . .
C02P C 0.111(3) 1.1189(19) 0.3711(16) 0.092(9) Uani 0.583(12) 1 d D . P A 1
H2 H 0.110406 1.095598 0.318012 0.111 Uiso 0.583(12) 1 calc R U P A 1
ClA Cl 0.033(2) 1.0211(15) 0.4488(15) 0.215(14) Uani 0.417(12) 1 d D . P A -1
Cl1A Cl 0.2269(14) 1.1144(19) 0.4049(12) 0.177(11) Uani 0.417(12) 1 d D . P A
-1
Cl2A Cl 0.011(3) 1.1847(17) 0.409(2) 0.232(15) Uani 0.417(12) 1 d D . P A -1
C02Q C 0.077(2) 1.092(2) 0.387(2) 0.092(9) Uani 0.417(12) 1 d D . P A -1
H3 H 0.059382 1.072417 0.332850 0.111 Uiso 0.417(12) 1 calc R U P A -1


_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 N003 2.032(7) . ?
Pt01 N006 2.025(7) . ?
Pt01 N007 2.024(7) . ?
Pt01 N009 2.030(7) . ?
Pt02 N008 2.035(8) . ?
Pt02 N00B 2.038(8) . ?
Pt02 N00C 2.027(7) . ?
Pt02 N00E 2.015(8) . ?
N003 C00P 1.374(11) . ?
N003 C021 1.368(11) . ?
Cl C02P 1.76(3) . ?
Cl ClA 2.14(2) . ?
Cl Cl2A 1.14(3) . ?
Cl C02Q 1.42(3) . ?
O005 C02B 1.393(12) . ?
O005 C02L 1.425(15) . ?
N006 C013 1.377(11) . ?
N006 C016 1.370(11) . ?
N007 C00M 1.368(11) . ?
N007 C00N 1.370(11) . ?
N008 C014 1.358(12) . ?
N008 C01P 1.385(11) . ?
N009 C00I 1.387(11) . ?
N009 C010 1.383(12) . ?
Cl1 C02P 1.73(2) . ?
Cl1 ClA 1.96(3) . ?
Cl1 Cl1A 1.14(3) . ?
Cl1 C02Q 1.60(3) . ?
N00B C01D 1.364(13) . ?
N00B C025 1.367(12) . ?
N00C C01U 1.347(12) . ?
N00C C01W 1.400(11) . ?
O00D C01Y 1.367(12) . ?
O00D C02H 1.430(15) . ?
N00E C01C 1.389(11) . ?
N00E C01L 1.358(12) . ?
Cl2 C02P 1.75(3) . ?
Cl2 Cl1A 1.90(3) . ?
Cl2 Cl2A 2.04(3) . ?
C00G C00I 1.374(13) . ?
C00G C01T 1.507(12) . ?
C00G C021 1.418(13) . ?
C00H C00N 1.398(12) . ?
C00H C00P 1.400(12) . ?
C00H C015 1.518(12) . ?
C00I C023 1.434(13) . ?
C00J H00J 0.9300 . ?
C00J C00X 1.345(14) . ?
C00J C01P 1.438(14) . ?
C00K H00K 0.9300 . ?
C00K C00S 1.406(13) . ?
C00K C017 1.387(14) . ?
C00L H00L 0.9300 . ?
C00L C00P 1.436(12) . ?
C00L C00T 1.339(13) . ?
C00M C00Z 1.396(13) . ?
C00M C01X 1.445(12) . ?
C00N C00W 1.442(12) . ?
C00O H00O 0.9300 . ?
C00O C01B 1.333(15) . ?
C00O C01U 1.449(13) . ?
C00Q C00S 1.362(13) . ?
C00Q C00U 1.488(13) . ?
C00Q C015 1.419(12) . ?
C00R H00R 0.9300 . ?
C00R C016 1.425(13) . ?
C00R C019 1.343(14) . ?
C00S H00S 0.9300 . ?
C00T H00T 0.9300 . ?
C00T C021 1.410(13) . ?
C00U C014 1.391(13) . ?
C00U C01L 1.404(13) . ?
C00V H00V 0.9300 . ?
C00V C010 1.448(12) . ?
C00V C023 1.339(14) . ?
C00W H00W 0.9300 . ?
C00W C01X 1.328(13) . ?
C00X H00X 0.9300 . ?
C00X C014 1.432(13) . ?
C00Y H00Y 0.9300 . ?
C00Y C015 1.387(13) . ?
C00Y C017 1.377(14) . ?
C00Z C013 1.364(13) . ?
C00Z C018 1.509(12) . ?
C010 C01I 1.368(13) . ?
C011 H011 0.9300 . ?
C011 C01L 1.437(12) . ?
C011 C01R 1.337(14) . ?
C012 C01C 1.379(14) . ?
C012 C01W 1.389(14) . ?
C012 C022 1.519(13) . ?
C013 C019 1.459(13) . ?
C016 C01I 1.385(13) . ?
C017 H017 0.9300 . ?
C018 C01A 1.394(15) . ?
C018 C01N 1.405(14) . ?
C019 H019 0.9300 . ?
C01A C01F 1.409(13) . ?
C01A C024 1.504(15) . ?
C01B H01B 0.9300 . ?
C01B C01W 1.438(13) . ?
C01C C01R 1.446(14) . ?
C01D C01K 1.393(14) . ?
C01D C01O 1.428(13) . ?
C01E H01E 0.9300 . ?
C01E C01S 1.396(14) . ?
C01E C01Y 1.392(15) . ?
C01F H01F 0.9300 . ?
C01F C01V 1.385(17) . ?
C01G H01A 0.9700 . ?
C01G H01C 0.9700 . ?
C01G C026 1.526(13) . ?
C01G C029 1.506(15) . ?
C01H C01M 1.502(13) . ?
C01H C01P 1.391(13) . ?
C01H C025 1.387(14) . ?
C01I H01I 0.9300 . ?
C01J H01J 0.9300 . ?
C01J C01T 1.378(15) . ?
C01J C027 1.398(14) . ?
C01K H01K 0.9300 . ?
C01K C01U 1.373(14) . ?
C01M C020 1.402(15) . ?
C01M C02C 1.417(15) . ?
C01N C02D 1.502(17) . ?
C01N C02E 1.395(14) . ?
C01O H01O 0.9300 . ?
C01O C01Z 1.361(15) . ?
C01Q H01Q 0.9300 . ?
C01Q C022 1.403(14) . ?
C01Q C02A 1.397(14) . ?
C01R H01R 0.9300 . ?
C01S H01S 0.9300 . ?
C01S C022 1.383(14) . ?
C01T C02G 1.401(14) . ?
C01V C02E 1.377(18) . ?
C01V C02M 1.525(14) . ?
C01X H01X 0.9300 . ?
C01Y C02A 1.394(15) . ?
C01Z H01Z 0.9300 . ?
C01Z C025 1.435(14) . ?
C020 C02J 1.501(16) . ?
C020 C02K 1.394(14) . ?
C023 H023 0.9300 . ?
C024 H02A 0.9600 . ?
C024 H02B 0.9600 . ?
C024 H02C 0.9600 . ?
C026 C026 1.508(19) 2_767 ?
C026 H02 0.9700 . ?
C026 H 0.9700 . ?
C027 H027 0.9300 . ?
C027 C02B 1.355(16) . ?
C028 C02F 1.37(2) . ?
C028 C02K 1.401(18) . ?
C028 C02O 1.498(16) . ?
C029 H1 0.9600 . ?
C029 HA 0.9600 . ?
C029 HB 0.9600 . ?
C02A H02D 0.9300 . ?
C02B C02I 1.391(16) . ?
C02C C02F 1.378(16) . ?
C02C C02N 1.473(18) . ?
C02D H02E 0.9600 . ?
C02D H02F 0.9600 . ?
C02D H02G 0.9600 . ?
C02E H02H 0.9300 . ?
C02F H02I 0.9300 . ?
C02G H02J 0.9300 . ?
C02G C02I 1.398(13) . ?
C02H H02K 0.9600 . ?
C02H H02L 0.9600 . ?
C02H H02M 0.9600 . ?
C02I H02N 0.9300 . ?
C02J H02O 0.9600 . ?
C02J H02P 0.9600 . ?
C02J H02Q 0.9600 . ?
C02K H02R 0.9300 . ?
C02L H02S 0.9600 . ?
C02L H02T 0.9600 . ?
C02L H02U 0.9600 . ?
C02M H02V 0.9600 . ?
C02M H02W 0.9600 . ?
C02M H02X 0.9600 . ?
C02N H02Y 0.9600 . ?
C02N HC 0.9600 . ?
C02N HD 0.9600 . ?
C02O H02Z 0.9600 . ?
C02O HE 0.9600 . ?
C02O HF 0.9600 . ?
C02P H2 0.9800 . ?
C02P Cl1A 1.42(4) . ?
C02P Cl2A 1.71(4) . ?
C02P C02Q 0.67(3) . ?
ClA C02Q 1.77(4) . ?
Cl1A C02Q 1.74(3) . ?
Cl2A C02Q 1.75(4) . ?
C02Q H3 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
N006 Pt01 N003 178.1(3) . . ?
N006 Pt01 N009 89.8(3) . . ?
N007 Pt01 N003 90.3(3) . . ?
N007 Pt01 N006 89.8(3) . . ?
N007 Pt01 N009 179.6(3) . . ?
N009 Pt01 N003 90.0(3) . . ?
N008 Pt02 N00B 89.4(3) . . ?
N00C Pt02 N008 179.1(3) . . ?
N00C Pt02 N00B 90.6(3) . . ?
N00E Pt02 N008 90.4(3) . . ?
N00E Pt02 N00B 178.5(3) . . ?
N00E Pt02 N00C 89.7(3) . . ?
C00P N003 Pt01 126.5(6) . . ?
C021 N003 Pt01 127.5(6) . . ?
C021 N003 C00P 105.8(7) . . ?
C02P Cl ClA 75.5(11) . . ?
Cl2A Cl C02P 68.6(18) . . ?
Cl2A Cl ClA 120.4(18) . . ?
Cl2A Cl C02Q 86.1(18) . . ?
C02Q Cl C02P 21.0(16) . . ?
C02Q Cl ClA 55.1(16) . . ?
C02B O005 C02L 114.8(9) . . ?
C013 N006 Pt01 126.0(6) . . ?
C016 N006 Pt01 127.1(6) . . ?
C016 N006 C013 106.9(7) . . ?
C00M N007 Pt01 126.3(6) . . ?
C00M N007 C00N 108.0(7) . . ?
C00N N007 Pt01 125.7(6) . . ?
C014 N008 Pt02 126.4(6) . . ?
C014 N008 C01P 107.4(7) . . ?
C01P N008 Pt02 126.2(6) . . ?
C00I N009 Pt01 126.7(6) . . ?
C010 N009 Pt01 126.0(6) . . ?
C010 N009 C00I 107.3(7) . . ?
C02P Cl1 ClA 81.1(14) . . ?
Cl1A Cl1 C02P 54.5(15) . . ?
Cl1A Cl1 ClA 132.5(14) . . ?
Cl1A Cl1 C02Q 76.8(15) . . ?
C02Q Cl1 C02P 22.7(10) . . ?
C02Q Cl1 ClA 58.6(14) . . ?
C01D N00B Pt02 125.4(6) . . ?
C01D N00B C025 107.2(8) . . ?
C025 N00B Pt02 127.4(7) . . ?
C01U N00C Pt02 126.0(6) . . ?
C01U N00C C01W 107.1(8) . . ?
C01W N00C Pt02 126.9(6) . . ?
C01Y O00D C02H 116.6(9) . . ?
C01C N00E Pt02 127.0(6) . . ?
C01L N00E Pt02 125.8(6) . . ?
C01L N00E C01C 107.2(7) . . ?
C02P Cl2 Cl1A 45.5(11) . . ?
C02P Cl2 Cl2A 53.1(13) . . ?
Cl1A Cl2 Cl2A 87.8(9) . . ?
C00I C00G C01T 115.3(8) . . ?
C00I C00G C021 126.9(8) . . ?
C021 C00G C01T 117.7(8) . . ?
C00N C00H C00P 123.2(8) . . ?
C00N C00H C015 117.9(7) . . ?
C00P C00H C015 118.8(8) . . ?
N009 C00I C023 108.1(8) . . ?
C00G C00I N009 124.8(8) . . ?
C00G C00I C023 126.9(8) . . ?
C00X C00J H00J 126.5 . . ?
C00X C00J C01P 106.9(8) . . ?
C01P C00J H00J 126.5 . . ?
C00S C00K H00K 120.6 . . ?
C017 C00K H00K 120.6 . . ?
C017 C00K C00S 118.7(8) . . ?
C00P C00L H00L 126.3 . . ?
C00T C00L H00L 126.3 . . ?
C00T C00L C00P 107.5(8) . . ?
N007 C00M C00Z 126.8(8) . . ?
N007 C00M C01X 108.1(8) . . ?
C00Z C00M C01X 125.1(8) . . ?
N007 C00N C00H 127.7(8) . . ?
N007 C00N C00W 108.1(7) . . ?
C00H C00N C00W 124.2(8) . . ?
C01B C00O H00O 126.3 . . ?
C01B C00O C01U 107.4(9) . . ?
C01U C00O H00O 126.3 . . ?
N003 C00P C00H 126.1(8) . . ?
N003 C00P C00L 108.9(8) . . ?
C00H C00P C00L 125.0(8) . . ?
C00S C00Q C00U 121.1(8) . . ?
C00S C00Q C015 119.2(9) . . ?
C015 C00Q C00U 119.7(8) . . ?
C016 C00R H00R 126.5 . . ?
C019 C00R H00R 126.5 . . ?
C019 C00R C016 106.9(9) . . ?
C00K C00S H00S 119.1 . . ?
C00Q C00S C00K 121.7(9) . . ?
C00Q C00S H00S 119.1 . . ?
C00L C00T H00T 126.4 . . ?
C00L C00T C021 107.2(8) . . ?
C021 C00T H00T 126.4 . . ?
C014 C00U C00Q 118.1(8) . . ?
C014 C00U C01L 123.9(9) . . ?
C01L C00U C00Q 118.0(8) . . ?
C010 C00V H00V 126.3 . . ?
C023 C00V H00V 126.3 . . ?
C023 C00V C010 107.3(8) . . ?
C00N C00W H00W 126.0 . . ?
C01X C00W C00N 107.9(8) . . ?
C01X C00W H00W 126.0 . . ?
C00J C00X H00X 125.9 . . ?
C00J C00X C014 108.1(9) . . ?
C014 C00X H00X 125.9 . . ?
C015 C00Y H00Y 119.3 . . ?
C017 C00Y H00Y 119.3 . . ?
C017 C00Y C015 121.4(9) . . ?
C00M C00Z C018 118.1(8) . . ?
C013 C00Z C00M 123.7(8) . . ?
C013 C00Z C018 118.2(8) . . ?
N009 C010 C00V 108.4(8) . . ?
C01I C010 N009 125.8(8) . . ?
C01I C010 C00V 125.7(9) . . ?
C01L C011 H011 126.2 . . ?
C01R C011 H011 126.2 . . ?
C01R C011 C01L 107.5(8) . . ?
C01C C012 C01W 125.0(9) . . ?
C01C C012 C022 116.8(9) . . ?
C01W C012 C022 118.3(9) . . ?
N006 C013 C019 107.9(8) . . ?
C00Z C013 N006 127.4(8) . . ?
C00Z C013 C019 124.7(8) . . ?
N008 C014 C00U 126.0(8) . . ?
N008 C014 C00X 108.9(8) . . ?
C00U C014 C00X 125.0(9) . . ?
C00Q C015 C00H 120.9(8) . . ?
C00Y C015 C00H 120.3(8) . . ?
C00Y C015 C00Q 118.9(8) . . ?
N006 C016 C00R 110.4(8) . . ?
N006 C016 C01I 124.9(8) . . ?
C01I C016 C00R 124.7(8) . . ?
C00K C017 H017 120.0 . . ?
C00Y C017 C00K 120.1(9) . . ?
C00Y C017 H017 120.0 . . ?
C01A C018 C00Z 119.3(9) . . ?
C01A C018 C01N 121.1(9) . . ?
C01N C018 C00Z 119.4(9) . . ?
C00R C019 C013 107.9(8) . . ?
C00R C019 H019 126.1 . . ?
C013 C019 H019 126.1 . . ?
C018 C01A C01F 118.2(10) . . ?
C018 C01A C024 120.9(9) . . ?
C01F C01A C024 120.8(10) . . ?
C00O C01B H01B 126.0 . . ?
C00O C01B C01W 107.9(9) . . ?
C01W C01B H01B 126.0 . . ?
N00E C01C C01R 107.9(8) . . ?
C012 C01C N00E 126.0(9) . . ?
C012 C01C C01R 126.0(9) . . ?
N00B C01D C01K 125.6(9) . . ?
N00B C01D C01O 109.6(9) . . ?
C01K C01D C01O 124.8(9) . . ?
C01S C01E H01E 120.4 . . ?
C01Y C01E H01E 120.4 . . ?
C01Y C01E C01S 119.3(10) . . ?
C01A C01F H01F 119.0 . . ?
C01V C01F C01A 121.9(11) . . ?
C01V C01F H01F 119.0 . . ?
H01A C01G H01C 107.7 . . ?
C026 C01G H01A 108.9 . . ?
C026 C01G H01C 108.9 . . ?
C029 C01G H01A 108.9 . . ?
C029 C01G H01C 108.9 . . ?
C029 C01G C026 113.4(9) . . ?
C01P C01H C01M 117.5(9) . . ?
C025 C01H C01M 118.1(8) . . ?
C025 C01H C01P 124.4(9) . . ?
C010 C01I C016 126.3(9) . . ?
C010 C01I H01I 116.9 . . ?
C016 C01I H01I 116.9 . . ?
C01T C01J H01J 120.0 . . ?
C01T C01J C027 120.0(10) . . ?
C027 C01J H01J 120.0 . . ?
C01D C01K H01K 117.0 . . ?
C01U C01K C01D 126.0(9) . . ?
C01U C01K H01K 117.0 . . ?
N00E C01L C00U 126.9(8) . . ?
N00E C01L C011 109.4(8) . . ?
C00U C01L C011 123.7(8) . . ?
C020 C01M C01H 120.1(9) . . ?
C020 C01M C02C 119.1(9) . . ?
C02C C01M C01H 120.8(9) . . ?
C018 C01N C02D 121.2(9) . . ?
C02E C01N C018 117.7(11) . . ?
C02E C01N C02D 121.1(10) . . ?
C01D C01O H01O 126.5 . . ?
C01Z C01O C01D 106.9(9) . . ?
C01Z C01O H01O 126.5 . . ?
N008 C01P C00J 108.5(8) . . ?
N008 C01P C01H 126.6(9) . . ?
C01H C01P C00J 124.9(8) . . ?
C022 C01Q H01Q 119.4 . . ?
C02A C01Q H01Q 119.4 . . ?
C02A C01Q C022 121.2(9) . . ?
C011 C01R C01C 107.8(8) . . ?
C011 C01R H01R 126.1 . . ?
C01C C01R H01R 126.1 . . ?
C01E C01S H01S 119.1 . . ?
C022 C01S C01E 121.7(10) . . ?
C022 C01S H01S 119.1 . . ?
C01J C01T C00G 122.9(9) . . ?
C01J C01T C02G 118.5(9) . . ?
C02G C01T C00G 118.5(9) . . ?
N00C C01U C00O 109.5(8) . . ?
N00C C01U C01K 126.4(9) . . ?
C01K C01U C00O 123.9(9) . . ?
C01F C01V C02M 119.8(12) . . ?
C02E C01V C01F 117.9(10) . . ?
C02E C01V C02M 122.3(12) . . ?
N00C C01W C01B 108.1(8) . . ?
C012 C01W N00C 125.1(8) . . ?
C012 C01W C01B 126.8(9) . . ?
C00M C01X H01X 126.1 . . ?
C00W C01X C00M 107.9(8) . . ?
C00W C01X H01X 126.1 . . ?
O00D C01Y C01E 123.9(10) . . ?
O00D C01Y C02A 115.8(10) . . ?
C01E C01Y C02A 120.4(9) . . ?
C01O C01Z H01Z 126.5 . . ?
C01O C01Z C025 107.1(9) . . ?
C025 C01Z H01Z 126.5 . . ?
C01M C020 C02J 121.5(9) . . ?
C02K C020 C01M 119.8(10) . . ?
C02K C020 C02J 118.7(11) . . ?
N003 C021 C00G 123.7(8) . . ?
N003 C021 C00T 110.5(8) . . ?
C00T C021 C00G 125.8(8) . . ?
C01Q C022 C012 120.0(9) . . ?
C01S C022 C012 121.8(9) . . ?
C01S C022 C01Q 118.2(9) . . ?
C00I C023 H023 125.6 . . ?
C00V C023 C00I 108.7(8) . . ?
C00V C023 H023 125.6 . . ?
C01A C024 H02A 109.5 . . ?
C01A C024 H02B 109.5 . . ?
C01A C024 H02C 109.5 . . ?
H02A C024 H02B 109.5 . . ?
H02A C024 H02C 109.5 . . ?
H02B C024 H02C 109.5 . . ?
N00B C025 C01H 126.0(9) . . ?
N00B C025 C01Z 109.1(9) . . ?
C01H C025 C01Z 124.8(9) . . ?
C01G C026 H02 108.8 . . ?
C01G C026 H 108.8 . . ?
C026 C026 C01G 113.6(11) 2_767 . ?
C026 C026 H02 108.8 2_767 . ?
C026 C026 H 108.8 2_767 . ?
H02 C026 H 107.7 . . ?
C01J C027 H027 119.5 . . ?
C02B C027 C01J 121.1(10) . . ?
C02B C027 H027 119.5 . . ?
C02F C028 C02K 118.6(10) . . ?
C02F C028 C02O 122.0(13) . . ?
C02K C028 C02O 119.3(13) . . ?
C01G C029 H1 109.5 . . ?
C01G C029 HA 109.5 . . ?
C01G C029 HB 109.5 . . ?
H1 C029 HA 109.5 . . ?
H1 C029 HB 109.5 . . ?
HA C029 HB 109.5 . . ?
C01Q C02A H02D 120.4 . . ?
C01Y C02A C01Q 119.2(10) . . ?
C01Y C02A H02D 120.4 . . ?
C027 C02B O005 126.2(10) . . ?
C027 C02B C02I 120.7(9) . . ?
C02I C02B O005 113.1(10) . . ?
C01M C02C C02N 120.7(10) . . ?
C02F C02C C01M 119.0(11) . . ?
C02F C02C C02N 120.3(11) . . ?
C01N C02D H02E 109.5 . . ?
C01N C02D H02F 109.5 . . ?
C01N C02D H02G 109.5 . . ?
H02E C02D H02F 109.5 . . ?
H02E C02D H02G 109.5 . . ?
H02F C02D H02G 109.5 . . ?
C01N C02E H02H 118.4 . . ?
C01V C02E C01N 123.1(11) . . ?
C01V C02E H02H 118.4 . . ?
C028 C02F C02C 122.7(11) . . ?
C028 C02F H02I 118.6 . . ?
C02C C02F H02I 118.6 . . ?
C01T C02G H02J 119.3 . . ?
C02I C02G C01T 121.4(10) . . ?
C02I C02G H02J 119.3 . . ?
O00D C02H H02K 109.5 . . ?
O00D C02H H02L 109.5 . . ?
O00D C02H H02M 109.5 . . ?
H02K C02H H02L 109.5 . . ?
H02K C02H H02M 109.5 . . ?
H02L C02H H02M 109.5 . . ?
C02B C02I C02G 118.3(10) . . ?
C02B C02I H02N 120.8 . . ?
C02G C02I H02N 120.8 . . ?
C020 C02J H02O 109.5 . . ?
C020 C02J H02P 109.5 . . ?
C020 C02J H02Q 109.5 . . ?
H02O C02J H02P 109.5 . . ?
H02O C02J H02Q 109.5 . . ?
H02P C02J H02Q 109.5 . . ?
C020 C02K C028 120.6(12) . . ?
C020 C02K H02R 119.7 . . ?
C028 C02K H02R 119.7 . . ?
O005 C02L H02S 109.5 . . ?
O005 C02L H02T 109.5 . . ?
O005 C02L H02U 109.5 . . ?
H02S C02L H02T 109.5 . . ?
H02S C02L H02U 109.5 . . ?
H02T C02L H02U 109.5 . . ?
C01V C02M H02V 109.5 . . ?
C01V C02M H02W 109.5 . . ?
C01V C02M H02X 109.5 . . ?
H02V C02M H02W 109.5 . . ?
H02V C02M H02X 109.5 . . ?
H02W C02M H02X 109.5 . . ?
C02C C02N H02Y 109.5 . . ?
C02C C02N HC 109.5 . . ?
C02C C02N HD 109.5 . . ?
H02Y C02N HC 109.5 . . ?
H02Y C02N HD 109.5 . . ?
HC C02N HD 109.5 . . ?
C028 C02O H02Z 109.5 . . ?
C028 C02O HE 109.5 . . ?
C028 C02O HF 109.5 . . ?
H02Z C02O HE 109.5 . . ?
H02Z C02O HF 109.5 . . ?
HE C02O HF 109.5 . . ?
Cl C02P H2 108.3 . . ?
Cl1 C02P Cl 110.5(17) . . ?
Cl1 C02P Cl2 111.3(19) . . ?
Cl1 C02P H2 108.3 . . ?
Cl2 C02P Cl 110.0(16) . . ?
Cl2 C02P H2 108.3 . . ?
Cl1A C02P Cl 140(2) . . ?
Cl1A C02P Cl1 40.9(12) . . ?
Cl1A C02P Cl2 73(2) . . ?
Cl1A C02P H2 108.5 . . ?
Cl1A C02P Cl2A 121(3) . . ?
Cl2A C02P Cl 38.1(13) . . ?
Cl2A C02P Cl1 121(2) . . ?
Cl2A C02P Cl2 72.2(18) . . ?
Cl2A C02P H2 126.7 . . ?
C02Q C02P Cl 49(4) . . ?
C02Q C02P Cl1 67(3) . . ?
C02Q C02P Cl2 149(4) . . ?
C02Q C02P H2 101.0 . . ?
C02Q C02P Cl1A 107(3) . . ?
C02Q C02P Cl2A 82(4) . . ?
Cl1 ClA Cl 88.8(7) . . ?
C02Q ClA Cl 41.1(11) . . ?
C02Q ClA Cl1 50.5(12) . . ?
Cl1 Cl1A Cl2 140.5(14) . . ?
Cl1 Cl1A C02P 84.7(16) . . ?
Cl1 Cl1A C02Q 63.5(16) . . ?
C02P Cl1A Cl2 61.5(17) . . ?
C02P Cl1A C02Q 21.6(11) . . ?
C02Q Cl1A Cl2 80.2(16) . . ?
Cl Cl2A Cl2 127.3(19) . . ?
Cl Cl2A C02P 73(2) . . ?
Cl Cl2A C02Q 53.7(14) . . ?
C02P Cl2A Cl2 54.7(14) . . ?
C02P Cl2A C02Q 22.3(13) . . ?
C02Q Cl2A Cl2 76.0(14) . . ?
Cl C02Q Cl1 144(3) . . ?
Cl C02Q ClA 83.8(19) . . ?
Cl C02Q Cl1A 142(3) . . ?
Cl C02Q Cl2A 40.2(15) . . ?
Cl C02Q H3 95.4 . . ?
Cl1 C02Q ClA 71.0(18) . . ?
Cl1 C02Q Cl1A 39.7(11) . . ?
Cl1 C02Q Cl2A 127(2) . . ?
Cl1 C02Q H3 116.8 . . ?
C02P C02Q Cl 110(5) . . ?
C02P C02Q Cl1 90(3) . . ?
C02P C02Q ClA 160(5) . . ?
C02P C02Q Cl1A 51(3) . . ?
C02P C02Q Cl2A 75(4) . . ?
C02P C02Q H3 82.8 . . ?
ClA C02Q H3 111.4 . . ?
Cl1A C02Q ClA 109(2) . . ?
Cl1A C02Q Cl2A 103(2) . . ?
Cl1A C02Q H3 111.4 . . ?
Cl2A C02Q ClA 110(2) . . ?
Cl2A C02Q H3 111.4 . . ?

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
Pt01 N003 C00P C00H -4.4(13) . . . . ?
Pt01 N003 C00P C00L 176.3(6) . . . . ?
Pt01 N003 C021 C00G 4.7(13) . . . . ?
Pt01 N003 C021 C00T -174.6(6) . . . . ?
Pt01 N006 C013 C00Z -0.3(14) . . . . ?
Pt01 N006 C013 C019 -178.9(6) . . . . ?
Pt01 N006 C016 C00R 179.7(6) . . . . ?
Pt01 N006 C016 C01I -2.0(13) . . . . ?
Pt01 N007 C00M C00Z -1.7(14) . . . . ?
Pt01 N007 C00M C01X 179.9(6) . . . . ?
Pt01 N007 C00N C00H 0.5(13) . . . . ?
Pt01 N007 C00N C00W -179.2(6) . . . . ?
Pt01 N009 C00I C00G 4.5(13) . . . . ?
Pt01 N009 C00I C023 -179.5(6) . . . . ?
Pt01 N009 C010 C00V 179.6(6) . . . . ?
Pt01 N009 C010 C01I -2.8(14) . . . . ?
Pt02 N008 C014 C00U 4.7(14) . . . . ?
Pt02 N008 C014 C00X -176.3(6) . . . . ?
Pt02 N008 C01P C00J 177.8(6) . . . . ?
Pt02 N008 C01P C01H -0.6(14) . . . . ?
Pt02 N00B C01D C01K -0.8(14) . . . . ?
Pt02 N00B C01D C01O -179.2(7) . . . . ?
Pt02 N00B C025 C01H -1.7(14) . . . . ?
Pt02 N00B C025 C01Z 178.5(6) . . . . ?
Pt02 N00C C01U C00O -178.1(6) . . . . ?
Pt02 N00C C01U C01K -2.6(14) . . . . ?
Pt02 N00C C01W C012 -4.0(14) . . . . ?
Pt02 N00C C01W C01B 177.9(6) . . . . ?
Pt02 N00E C01C C012 -5.4(14) . . . . ?
Pt02 N00E C01C C01R 172.7(6) . . . . ?
Pt02 N00E C01L C00U 8.0(13) . . . . ?
Pt02 N00E C01L C011 -172.7(6) . . . . ?
Cl C02P Cl1A Cl1 58(4) . . . . ?
Cl C02P Cl1A Cl2 -101(4) . . . . ?
Cl C02P Cl1A C02Q 46(4) . . . . ?
Cl C02P Cl2A Cl2 -172(2) . . . . ?
Cl C02P Cl2A C02Q 26(4) . . . . ?
Cl C02P C02Q Cl1 -150(4) . . . . ?
Cl C02P C02Q ClA -130(14) . . . . ?
Cl C02P C02Q Cl1A -142(3) . . . . ?
Cl C02P C02Q Cl2A -21(3) . . . . ?
Cl ClA C02Q Cl1 154(2) . . . . ?
Cl ClA C02Q C02P 134(13) . . . . ?
Cl ClA C02Q Cl1A 143(3) . . . . ?
Cl ClA C02Q Cl2A 30.9(16) . . . . ?
Cl Cl2A C02Q Cl1 -133(4) . . . . ?
Cl Cl2A C02Q C02P 148(5) . . . . ?
Cl Cl2A C02Q ClA -52(2) . . . . ?
Cl Cl2A C02Q Cl1A -168(3) . . . . ?
O005 C02B C02I C02G -179.1(10) . . . . ?
N006 C013 C019 C00R -1.0(11) . . . . ?
N006 C016 C01I C010 0.7(16) . . . . ?
N007 C00M C00Z C013 0.8(16) . . . . ?
N007 C00M C00Z C018 179.7(9) . . . . ?
N007 C00M C01X C00W -1.0(11) . . . . ?
N007 C00N C00W C01X -1.1(11) . . . . ?
N009 C00I C023 C00V -0.8(12) . . . . ?
N009 C010 C01I C016 1.9(16) . . . . ?
Cl1 C02P Cl1A Cl2 -158.9(16) . . . . ?
Cl1 C02P Cl1A C02Q -11(4) . . . . ?
Cl1 C02P Cl2A Cl -84(3) . . . . ?
Cl1 C02P Cl2A Cl2 105(3) . . . . ?
Cl1 C02P Cl2A C02Q -57(3) . . . . ?
Cl1 C02P C02Q Cl 150(4) . . . . ?
Cl1 C02P C02Q ClA 20(11) . . . . ?
Cl1 C02P C02Q Cl1A 8(3) . . . . ?
Cl1 C02P C02Q Cl2A 129(2) . . . . ?
Cl1 ClA C02Q Cl -154(2) . . . . ?
Cl1 ClA C02Q C02P -21(12) . . . . ?
Cl1 ClA C02Q Cl1A -11.4(14) . . . . ?
Cl1 ClA C02Q Cl2A -124(2) . . . . ?
Cl1 Cl1A C02Q Cl 122(5) . . . . ?
Cl1 Cl1A C02Q C02P -167(5) . . . . ?
Cl1 Cl1A C02Q ClA 17(2) . . . . ?
Cl1 Cl1A C02Q Cl2A 134(2) . . . . ?
N00B C01D C01K C01U -0.6(16) . . . . ?
N00B C01D C01O C01Z 1.0(12) . . . . ?
O00D C01Y C02A C01Q 179.1(10) . . . . ?
N00E C01C C01R C011 3.0(11) . . . . ?
Cl2 C02P Cl1A Cl1 158.9(16) . . . . ?
Cl2 C02P Cl1A C02Q 147(4) . . . . ?
Cl2 C02P Cl2A Cl 172(2) . . . . ?
Cl2 C02P Cl2A C02Q -162(4) . . . . ?
Cl2 C02P C02Q Cl 56(9) . . . . ?
Cl2 C02P C02Q Cl1 -94(8) . . . . ?
Cl2 C02P C02Q ClA -74(16) . . . . ?
Cl2 C02P C02Q Cl1A -85(8) . . . . ?
Cl2 C02P C02Q Cl2A 35(8) . . . . ?
Cl2 Cl1A C02Q Cl -42(4) . . . . ?
Cl2 Cl1A C02Q Cl1 -164.1(18) . . . . ?
Cl2 Cl1A C02Q C02P 29(4) . . . . ?
Cl2 Cl1A C02Q ClA -147(2) . . . . ?
Cl2 Cl1A C02Q Cl2A -30.2(19) . . . . ?
Cl2 Cl2A C02Q Cl -163(3) . . . . ?
Cl2 Cl2A C02Q Cl1 64(3) . . . . ?
Cl2 Cl2A C02Q C02P -15(4) . . . . ?
Cl2 Cl2A C02Q ClA 144.6(19) . . . . ?
Cl2 Cl2A C02Q Cl1A 28.4(18) . . . . ?
C00G C00I C023 C00V 175.0(10) . . . . ?
C00G C01T C02G C02I 175.8(10) . . . . ?
C00H C00N C00W C01X 179.2(9) . . . . ?
C00I N009 C010 C00V -1.1(10) . . . . ?
C00I N009 C010 C01I 176.5(9) . . . . ?
C00I C00G C01T C01J 110.0(11) . . . . ?
C00I C00G C01T C02G -67.2(12) . . . . ?
C00I C00G C021 N003 1.2(16) . . . . ?
C00I C00G C021 C00T -179.7(10) . . . . ?
C00J C00X C014 N008 -2.5(11) . . . . ?
C00J C00X C014 C00U 176.6(9) . . . . ?
C00L C00T C021 N003 -3.3(11) . . . . ?
C00L C00T C021 C00G 177.4(9) . . . . ?
C00M N007 C00N C00H -179.9(9) . . . . ?
C00M N007 C00N C00W 0.5(10) . . . . ?
C00M C00Z C013 N006 0.2(16) . . . . ?
C00M C00Z C013 C019 178.5(9) . . . . ?
C00M C00Z C018 C01A 86.1(12) . . . . ?
C00M C00Z C018 C01N -99.0(11) . . . . ?
C00N N007 C00M C00Z 178.7(9) . . . . ?
C00N N007 C00M C01X 0.3(10) . . . . ?
C00N C00H C00P N003 8.8(15) . . . . ?
C00N C00H C00P C00L -172.1(9) . . . . ?
C00N C00H C015 C00Q -65.1(11) . . . . ?
C00N C00H C015 C00Y 115.4(9) . . . . ?
C00N C00W C01X C00M 1.2(11) . . . . ?
C00O C01B C01W N00C 1.1(11) . . . . ?
C00O C01B C01W C012 -177.0(10) . . . . ?
C00P N003 C021 C00G -178.2(9) . . . . ?
C00P N003 C021 C00T 2.5(10) . . . . ?
C00P C00H C00N N007 -6.7(15) . . . . ?
C00P C00H C00N C00W 172.9(9) . . . . ?
C00P C00H C015 C00Q 112.3(10) . . . . ?
C00P C00H C015 C00Y -67.3(11) . . . . ?
C00P C00L C00T C021 2.7(11) . . . . ?
C00Q C00U C014 N008 -174.5(9) . . . . ?
C00Q C00U C014 C00X 6.5(14) . . . . ?
C00Q C00U C01L N00E 167.7(9) . . . . ?
C00Q C00U C01L C011 -11.5(13) . . . . ?
C00R C016 C01I C010 178.8(9) . . . . ?
C00S C00K C017 C00Y 0.2(14) . . . . ?
C00S C00Q C00U C014 -64.9(12) . . . . ?
C00S C00Q C00U C01L 117.6(10) . . . . ?
C00S C00Q C015 C00H -179.0(8) . . . . ?
C00S C00Q C015 C00Y 0.6(13) . . . . ?
C00T C00L C00P N003 -1.3(11) . . . . ?
C00T C00L C00P C00H 179.5(9) . . . . ?
C00U C00Q C00S C00K 176.7(8) . . . . ?
C00U C00Q C015 C00H 3.5(12) . . . . ?
C00U C00Q C015 C00Y -176.9(8) . . . . ?
C00V C010 C01I C016 179.1(9) . . . . ?
C00X C00J C01P N008 -1.7(11) . . . . ?
C00X C00J C01P C01H 176.8(9) . . . . ?
C00Z C00M C01X C00W -179.4(9) . . . . ?
C00Z C013 C019 C00R -179.6(10) . . . . ?
C00Z C018 C01A C01F 178.3(9) . . . . ?
C00Z C018 C01A C024 -4.5(14) . . . . ?
C00Z C018 C01N C02D 4.2(15) . . . . ?
C00Z C018 C01N C02E -177.1(9) . . . . ?
C010 N009 C00I C00G -174.8(9) . . . . ?
C010 N009 C00I C023 1.2(10) . . . . ?
C010 C00V C023 C00I 0.1(12) . . . . ?
C012 C01C C01R C011 -178.9(10) . . . . ?
C013 N006 C016 C00R 0.4(10) . . . . ?
C013 N006 C016 C01I 178.8(9) . . . . ?
C013 C00Z C018 C01A -95.0(11) . . . . ?
C013 C00Z C018 C01N 79.9(12) . . . . ?
C014 N008 C01P C00J 0.1(10) . . . . ?
C014 N008 C01P C01H -178.3(9) . . . . ?
C014 C00U C01L N00E -9.6(15) . . . . ?
C014 C00U C01L C011 171.2(9) . . . . ?
C015 C00H C00N N007 170.5(8) . . . . ?
C015 C00H C00N C00W -9.9(13) . . . . ?
C015 C00H C00P N003 -168.4(8) . . . . ?
C015 C00H C00P C00L 10.7(14) . . . . ?
C015 C00Q C00S C00K -0.8(14) . . . . ?
C015 C00Q C00U C014 112.5(10) . . . . ?
C015 C00Q C00U C01L -64.9(12) . . . . ?
C015 C00Y C017 C00K -0.3(14) . . . . ?
C016 N006 C013 C00Z 178.9(9) . . . . ?
C016 N006 C013 C019 0.3(10) . . . . ?
C016 C00R C019 C013 1.3(11) . . . . ?
C017 C00K C00S C00Q 0.4(14) . . . . ?
C017 C00Y C015 C00H 179.5(8) . . . . ?
C017 C00Y C015 C00Q 0.0(13) . . . . ?
C018 C00Z C013 N006 -178.6(9) . . . . ?
C018 C00Z C013 C019 -0.3(15) . . . . ?
C018 C01A C01F C01V -2.4(15) . . . . ?
C018 C01N C02E C01V 0.0(16) . . . . ?
C019 C00R C016 N006 -1.1(11) . . . . ?
C019 C00R C016 C01I -179.5(9) . . . . ?
C01A C018 C01N C02D 179.0(10) . . . . ?
C01A C018 C01N C02E -2.3(15) . . . . ?
C01A C01F C01V C02E 0.2(16) . . . . ?
C01A C01F C01V C02M 177.8(10) . . . . ?
C01B C00O C01U N00C -0.6(11) . . . . ?
C01B C00O C01U C01K -176.2(9) . . . . ?
C01C N00E C01L C00U -174.5(9) . . . . ?
C01C N00E C01L C011 4.8(10) . . . . ?
C01C C012 C01W N00C -0.8(16) . . . . ?
C01C C012 C01W C01B 177.0(10) . . . . ?
C01C C012 C022 C01Q 55.7(13) . . . . ?
C01C C012 C022 C01S -122.6(11) . . . . ?
C01D N00B C025 C01H 179.9(9) . . . . ?
C01D N00B C025 C01Z 0.1(11) . . . . ?
C01D C01K C01U N00C 2.5(16) . . . . ?
C01D C01K C01U C00O 177.4(9) . . . . ?
C01D C01O C01Z C025 -0.9(12) . . . . ?
C01E C01S C022 C012 177.6(10) . . . . ?
C01E C01S C022 C01Q -0.7(16) . . . . ?
C01E C01Y C02A C01Q -0.7(16) . . . . ?
C01F C01V C02E C01N 1.0(17) . . . . ?
C01H C01M C020 C02J 2.7(16) . . . . ?
C01H C01M C020 C02K -178.0(10) . . . . ?
C01H C01M C02C C02F 177.1(10) . . . . ?
C01H C01M C02C C02N -2.4(16) . . . . ?
C01J C01T C02G C02I -1.5(15) . . . . ?
C01J C027 C02B O005 179.7(10) . . . . ?
C01J C027 C02B C02I -2.2(17) . . . . ?
C01K C01D C01O C01Z -177.3(10) . . . . ?
C01L N00E C01C C012 177.2(9) . . . . ?
C01L N00E C01C C01R -4.8(10) . . . . ?
C01L C00U C014 N008 2.7(15) . . . . ?
C01L C00U C014 C00X -176.2(9) . . . . ?
C01L C011 C01R C01C -0.1(11) . . . . ?
C01M C01H C01P N008 179.6(9) . . . . ?
C01M C01H C01P C00J 1.5(14) . . . . ?
C01M C01H C025 N00B -178.4(9) . . . . ?
C01M C01H C025 C01Z 1.4(15) . . . . ?
C01M C020 C02K C028 0.4(18) . . . . ?
C01M C02C C02F C028 1.5(18) . . . . ?
C01N C018 C01A C01F 3.4(14) . . . . ?
C01N C018 C01A C024 -179.3(9) . . . . ?
C01O C01D C01K C01U 177.5(10) . . . . ?
C01O C01Z C025 N00B 0.5(11) . . . . ?
C01O C01Z C025 C01H -179.2(10) . . . . ?
C01P N008 C014 C00U -177.7(9) . . . . ?
C01P N008 C014 C00X 1.4(10) . . . . ?
C01P C00J C00X C014 2.5(11) . . . . ?
C01P C01H C01M C020 -79.7(12) . . . . ?
C01P C01H C01M C02C 100.3(11) . . . . ?
C01P C01H C025 N00B 0.2(16) . . . . ?
C01P C01H C025 C01Z 180.0(9) . . . . ?
C01R C011 C01L N00E -3.0(11) . . . . ?
C01R C011 C01L C00U 176.4(9) . . . . ?
C01S C01E C01Y O00D -178.8(10) . . . . ?
C01S C01E C01Y C02A 0.9(16) . . . . ?
C01T C00G C00I N009 171.9(9) . . . . ?
C01T C00G C00I C023 -3.3(15) . . . . ?
C01T C00G C021 N003 -176.7(9) . . . . ?
C01T C00G C021 C00T 2.5(15) . . . . ?
C01T C01J C027 C02B -0.2(17) . . . . ?
C01T C02G C02I C02B -0.8(16) . . . . ?
C01U N00C C01W C012 176.7(9) . . . . ?
C01U N00C C01W C01B -1.5(10) . . . . ?
C01U C00O C01B C01W -0.3(11) . . . . ?
C01W N00C C01U C00O 1.3(10) . . . . ?
C01W N00C C01U C01K 176.7(9) . . . . ?
C01W C012 C01C N00E 5.7(16) . . . . ?
C01W C012 C01C C01R -172.0(10) . . . . ?
C01W C012 C022 C01Q -125.0(11) . . . . ?
C01W C012 C022 C01S 56.7(14) . . . . ?
C01X C00M C00Z C013 179.0(9) . . . . ?
C01X C00M C00Z C018 -2.2(14) . . . . ?
C01Y C01E C01S C022 -0.2(16) . . . . ?
C020 C01M C02C C02F -2.9(16) . . . . ?
C020 C01M C02C C02N 177.6(11) . . . . ?
C021 N003 C00P C00H 178.5(9) . . . . ?
C021 N003 C00P C00L -0.8(10) . . . . ?
C021 C00G C00I N009 -6.0(16) . . . . ?
C021 C00G C00I C023 178.8(10) . . . . ?
C021 C00G C01T C01J -71.9(13) . . . . ?
C021 C00G C01T C02G 110.9(11) . . . . ?
C022 C012 C01C N00E -175.1(9) . . . . ?
C022 C012 C01C C01R 7.2(15) . . . . ?
C022 C012 C01W N00C 180.0(9) . . . . ?
C022 C012 C01W C01B -2.2(15) . . . . ?
C022 C01Q C02A C01Y -0.3(16) . . . . ?
C023 C00V C010 N009 0.6(11) . . . . ?
C023 C00V C010 C01I -177.0(10) . . . . ?
C024 C01A C01F C01V -179.7(10) . . . . ?
C025 N00B C01D C01K 177.6(9) . . . . ?
C025 N00B C01D C01O -0.7(11) . . . . ?
C025 C01H C01M C020 99.0(12) . . . . ?
C025 C01H C01M C02C -81.1(12) . . . . ?
C025 C01H C01P N008 1.0(16) . . . . ?
C025 C01H C01P C00J -177.1(9) . . . . ?
C027 C01J C01T C00G -175.2(10) . . . . ?
C027 C01J C01T C02G 2.0(15) . . . . ?
C027 C02B C02I C02G 2.6(16) . . . . ?
C029 C01G C026 C026 178.7(10) . . . 2_767 ?
C02A C01Q C022 C012 -177.4(9) . . . . ?
C02A C01Q C022 C01S 1.0(15) . . . . ?
C02C C01M C020 C02J -177.3(11) . . . . ?
C02C C01M C020 C02K 2.0(16) . . . . ?
C02D C01N C02E C01V 178.7(11) . . . . ?
C02F C028 C02K C020 -1.8(18) . . . . ?
C02H O00D C01Y C01E 10.3(16) . . . . ?
C02H O00D C01Y C02A -169.5(10) . . . . ?
C02J C020 C02K C028 179.7(12) . . . . ?
C02K C028 C02F C02C 0.9(19) . . . . ?
C02L O005 C02B C027 -6.7(16) . . . . ?
C02L O005 C02B C02I 175.2(10) . . . . ?
C02M C01V C02E C01N -176.5(11) . . . . ?
C02N C02C C02F C028 -179.0(12) . . . . ?
C02O C028 C02F C02C 178.4(12) . . . . ?
C02O C028 C02K C020 -179.4(12) . . . . ?
C02P Cl Cl2A Cl2 9(2) . . . . ?
C02P Cl Cl2A C02Q -12.1(19) . . . . ?
C02P Cl C02Q Cl1 120(7) . . . . ?
C02P Cl C02Q ClA 165(5) . . . . ?
C02P Cl C02Q Cl1A 51(4) . . . . ?
C02P Cl C02Q Cl2A 33(5) . . . . ?
C02P Cl1 Cl1A Cl2 30(2) . . . . ?
C02P Cl1 Cl1A C02Q 4.7(17) . . . . ?
C02P Cl1 C02Q Cl -126(7) . . . . ?
C02P Cl1 C02Q ClA -173(4) . . . . ?
C02P Cl1 C02Q Cl1A -10(4) . . . . ?
C02P Cl1 C02Q Cl2A -72(4) . . . . ?
C02P Cl2 Cl1A Cl1 -34(3) . . . . ?
C02P Cl2 Cl1A C02Q -11.6(15) . . . . ?
C02P Cl1A C02Q Cl -71(6) . . . . ?
C02P Cl1A C02Q Cl1 167(5) . . . . ?
C02P Cl1A C02Q ClA -176(5) . . . . ?
C02P Cl1A C02Q Cl2A -59(4) . . . . ?
C02P Cl2A C02Q Cl -148(5) . . . . ?
C02P Cl2A C02Q Cl1 79(3) . . . . ?
C02P Cl2A C02Q ClA 160(5) . . . . ?
C02P Cl2A C02Q Cl1A 44(3) . . . . ?
ClA Cl C02P Cl1 -16.7(16) . . . . ?
ClA Cl C02P Cl2 -139.9(17) . . . . ?
ClA Cl C02P Cl1A -53(4) . . . . ?
ClA Cl C02P Cl2A -131(2) . . . . ?
ClA Cl C02P C02Q 13(4) . . . . ?
ClA Cl Cl2A Cl2 66(4) . . . . ?
ClA Cl Cl2A C02P 57(2) . . . . ?
ClA Cl Cl2A C02Q 45.1(18) . . . . ?
ClA Cl C02Q Cl1 -44(4) . . . . ?
ClA Cl C02Q C02P -165(5) . . . . ?
ClA Cl C02Q Cl1A -113(5) . . . . ?
ClA Cl C02Q Cl2A -132(2) . . . . ?
ClA Cl1 C02P Cl 17.9(17) . . . . ?
ClA Cl1 C02P Cl2 140.4(19) . . . . ?
ClA Cl1 C02P Cl1A 162(2) . . . . ?
ClA Cl1 C02P Cl2A 59(3) . . . . ?
ClA Cl1 C02P C02Q -6(4) . . . . ?
ClA Cl1 Cl1A Cl2 5(4) . . . . ?
ClA Cl1 Cl1A C02P -24(3) . . . . ?
ClA Cl1 Cl1A C02Q -20(2) . . . . ?
ClA Cl1 C02Q Cl 47(4) . . . . ?
ClA Cl1 C02Q C02P 173(4) . . . . ?
ClA Cl1 C02Q Cl1A 163.0(19) . . . . ?
ClA Cl1 C02Q Cl2A 101(3) . . . . ?
Cl1A Cl1 C02P Cl -144(3) . . . . ?
Cl1A Cl1 C02P Cl2 -21.6(18) . . . . ?
Cl1A Cl1 C02P Cl2A -103(3) . . . . ?
Cl1A Cl1 C02P C02Q -168(4) . . . . ?
Cl1A Cl1 C02Q Cl -116(5) . . . . ?
Cl1A Cl1 C02Q C02P 10(4) . . . . ?
Cl1A Cl1 C02Q ClA -163.0(19) . . . . ?
Cl1A Cl1 C02Q Cl2A -62(3) . . . . ?
Cl1A Cl2 C02P Cl 137(2) . . . . ?
Cl1A Cl2 C02P Cl1 14.6(11) . . . . ?
Cl1A Cl2 C02P Cl2A 132(2) . . . . ?
Cl1A Cl2 C02P C02Q 95(8) . . . . ?
Cl1A C02P Cl2A Cl -132(3) . . . . ?
Cl1A C02P Cl2A Cl2 56(3) . . . . ?
Cl1A C02P Cl2A C02Q -106(4) . . . . ?
Cl1A C02P C02Q Cl 142(3) . . . . ?
Cl1A C02P C02Q Cl1 -8(3) . . . . ?
Cl1A C02P C02Q ClA 12(14) . . . . ?
Cl1A C02P C02Q Cl2A 120(3) . . . . ?
Cl2A Cl C02P Cl1 115(3) . . . . ?
Cl2A Cl C02P Cl2 -8(2) . . . . ?
Cl2A Cl C02P Cl1A 79(4) . . . . ?
Cl2A Cl C02P C02Q 144(5) . . . . ?
Cl2A Cl C02Q Cl1 87(5) . . . . ?
Cl2A Cl C02Q C02P -33(5) . . . . ?
Cl2A Cl C02Q ClA 132(2) . . . . ?
Cl2A Cl C02Q Cl1A 19(5) . . . . ?
Cl2A Cl2 C02P Cl 5.4(15) . . . . ?
Cl2A Cl2 C02P Cl1 -117(2) . . . . ?
Cl2A Cl2 C02P Cl1A -132(2) . . . . ?
Cl2A Cl2 C02P C02Q -37(8) . . . . ?
Cl2A Cl2 Cl1A Cl1 2(3) . . . . ?
Cl2A Cl2 Cl1A C02P 36.5(19) . . . . ?
Cl2A Cl2 Cl1A C02Q 24.9(15) . . . . ?
Cl2A C02P Cl1A Cl1 103(3) . . . . ?
Cl2A C02P Cl1A Cl2 -56(2) . . . . ?
Cl2A C02P Cl1A C02Q 92(5) . . . . ?
Cl2A C02P C02Q Cl 21(3) . . . . ?
Cl2A C02P C02Q Cl1 -129(2) . . . . ?
Cl2A C02P C02Q ClA -109(12) . . . . ?
Cl2A C02P C02Q Cl1A -120(3) . . . . ?
C02Q Cl C02P Cl1 -30(4) . . . . ?
C02Q Cl C02P Cl2 -153(5) . . . . ?
C02Q Cl C02P Cl1A -66(5) . . . . ?
C02Q Cl C02P Cl2A -144(5) . . . . ?
C02Q Cl Cl2A Cl2 21(3) . . . . ?
C02Q Cl Cl2A C02P 12.1(19) . . . . ?
C02Q Cl1 C02P Cl 24(3) . . . . ?
C02Q Cl1 C02P Cl2 146(4) . . . . ?
C02Q Cl1 C02P Cl1A 168(4) . . . . ?
C02Q Cl1 C02P Cl2A 65(4) . . . . ?
C02Q Cl1 Cl1A Cl2 25(3) . . . . ?
C02Q Cl1 Cl1A C02P -4.7(17) . . . . ?
C02Q C02P Cl1A Cl1 11(4) . . . . ?
C02Q C02P Cl1A Cl2 -147(4) . . . . ?
C02Q C02P Cl2A Cl -26(4) . . . . ?
C02Q C02P Cl2A Cl2 162(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.028
_oxdiff_exptl_absorpt_empirical_full_min 0.553
# start Validation Reply Form
_vrf_PLAT971_exp_799_auto        
;
PROBLEM: Check Calcd Resid. Dens.  0.94Ang From Pt01            6.29 eA-3  
RESPONSE: ...The residue of electron density is caused by the twining 
or low quality of the crystal.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_20231122-pordimer-f1
_database_code_depnum_ccdc_archive 'CCDC 2386891'
loop_
_audit_author_name
_audit_author_address
'Ryo Inoue'
;University of Hyogo
Japan
;
_audit_update_record             
;
2024-12-03 deposited with the CCDC.	2024-12-10 downloaded from the CCDC.
;
_audit_creation_date             2024-12-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C78 H58 N8 O2 Pt2'
_chemical_formula_sum            'C78 H58 N8 O2 Pt2'
_chemical_formula_weight         1529.50
_chemical_melting_point          ?
_chemical_oxdiff_formula         C78H58N8O2Pt2
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.5446(3)
_cell_length_b                   17.1268(5)
_cell_length_c                   17.3718(5)
_cell_angle_alpha                71.885(2)
_cell_angle_beta                 72.120(2)
_cell_angle_gamma                77.570(2)
_cell_volume                     3079.51(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    10207
_cell_measurement_temperature    150
_cell_measurement_theta_max      29.5640
_cell_measurement_theta_min      1.8650
_shelx_estimated_absorpt_T_max   0.955
_shelx_estimated_absorpt_T_min   0.339
_exptl_absorpt_coefficient_mu    4.595
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82331
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear reddish orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1508
_exptl_crystal_preparation       CH2Cl2/CH3CN
_exptl_crystal_recrystallization_method CH2Cl2/CH3CN
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_av_unetI/netI     0.0726
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21430
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.348
_diffrn_reflns_theta_min         1.870
_diffrn_ambient_temperature      150
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -107.00  73.00   0.50    8.00    --  -17.00  45.00 220.00  360
  2  ω    -52.50  66.50   0.50    8.00    --  -17.00  45.00 140.00  238
  3  ω     -3.50  49.00   0.50    8.00    --  -17.00  45.00  60.00  105
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0289679000
_diffrn_orient_matrix_UB_12      0.0410873000
_diffrn_orient_matrix_UB_13      -0.0006809000
_diffrn_orient_matrix_UB_21      -0.0517078000
_diffrn_orient_matrix_UB_22      -0.0156353000
_diffrn_orient_matrix_UB_23      0.0313461000
_diffrn_orient_matrix_UB_31      0.0270053000
_diffrn_orient_matrix_UB_32      0.0000952000
_diffrn_orient_matrix_UB_33      0.0315417000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7719
_reflns_number_total             11090
_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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         2.836
_refine_diff_density_min         -1.251
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     863
_refine_ls_number_reflns         11090
_refine_ls_number_restraints     356
_refine_ls_R_factor_all          0.0917
_refine_ls_R_factor_gt           0.0576
_refine_ls_restrained_S_all      1.005
_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)+(0.0730P)²+1.6108P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1270
_refine_ls_wR_factor_ref         0.1429
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C14-C80 \\sim C14-C80A
 with sigma of 0.02
 C77-C80 \\sim C77A-C80A
 with sigma of 0.02
 C14-C77 \\sim C14-C77A
 with sigma of 0.04
 C80-C6 \\sim C80A-C6A
 with sigma of 0.02
 C14-C6 \\sim C14-C6A
 with sigma of 0.04
 C77-C2 \\sim C77A-C2A
 with sigma of 0.02
 C80-C2 \\sim C80A-C2A
 with sigma of 0.04
 C80-C12 \\sim C80A-C12A
 with sigma of 0.04
 C87-C2 \\sim C87A-C2A
 with sigma of 0.02
 C87-O7 \\sim C87A-O7A
 with sigma of 0.02
 C87-C12 \\sim C87A-C12A
 with sigma of 0.02
 C6-C12 \\sim C6A-C12A
 with sigma of 0.02
 O7-C3 \\sim O7A-C3A
 with sigma of 0.02
 C77-C87 \\sim C77A-C87A
 with sigma of 0.04
 C77-C6 \\sim C77A-C6A
 with sigma of 0.04
 C87-C6 \\sim C87A-C6A
 with sigma of 0.04
 C87-C3 \\sim C87A-C3A
 with sigma of 0.04
 C2-O7 \\sim C2A-O7A
 with sigma of 0.04
 C2-C12 \\sim C2A-C12A
 with sigma of 0.04
 O7-C12 \\sim O7A-C12A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C77 \\sim C80 \\sim C87 \\sim C2 \\sim C6 \\sim O7 \\sim C12 \\sim C3 \\sim
C77A \\sim C87A \\sim C2A \\sim O7A \\sim C12A \\sim C3A \\sim C6A \\sim C80A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C77) \\sim Ueq, Uanis(C80) \\sim Ueq, Uanis(C87) \\sim Ueq, Uanis(C2)
\\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(C12) \\sim Ueq,
Uanis(C3) \\sim Ueq, Uanis(C77A) \\sim Ueq, Uanis(C87A) \\sim Ueq, Uanis(C2A)
\\sim Ueq, Uanis(O7A) \\sim Ueq, Uanis(C12A) \\sim Ueq, Uanis(C3A) \\sim Ueq,
Uanis(C6A) \\sim Ueq, Uanis(C80A) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.04
Uanis(C80) = Uanis(C80A)
4. Others
 Sof(O7A)=Sof(C3A)=Sof(H3AA)=Sof(H3AB)=Sof(H3AC)=Sof(C80A)=Sof(C77A)=Sof(H77A)=
 Sof(C2A)=Sof(H2A)=Sof(C87A)=Sof(C12A)=Sof(H12A)=Sof(C6A)=Sof(H6A)=1-FVAR(1)
 Sof(C80)=Sof(C77)=Sof(H77)=Sof(C2)=Sof(H2)=Sof(C87)=Sof(C12)=Sof(H12)=Sof(C6)=
 Sof(H6)=Sof(O7)=Sof(C3)=Sof(H3A)=Sof(H3B)=Sof(H3C)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C17(H17), C22(H22), C23(H23), C28(H28), C112(H112), C117(H117), C114(H114),
 C35(H35), C38(H38), C39(H39), C41(H41), C49(H49), C50(H50), C116(H116),
 C54(H54), C55(H55), C56(H56), C113(H113), C61(H61), C62(H62), C64(H64),
 C68(H68), C69(H69), C70(H70), C74(H74), C75(H75), C77(H77), C2(H2), C12(H12),
 C6(H6), C104(H104), C11(H11), C4(H4), C7(H7), C77A(H77A), C2A(H2A), C12A(H12A),
  C6A(H6A)
5.b Fitted hexagon refined as free rotating group:
 C80(C77,C2,C87,C12,C6), C80A(C77A,C2A,C87A,C12A,C6A)
5.c Idealised Me refined as rotating group:
 C44(H44A,H44B,H44C), C81(H81A,H81B,H81C), C90(H90A,H90B,H90C), C100(H10A,H10B,
 H10C), C110(H11A,H11B,H11C), C10(H10D,H10E,H10F), C1(H1A,H1B,H1C), C3(H3A,H3B,
 H3C), C3A(H3AA,H3AB,H3AC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.84492(3) 0.27857(2) 0.25318(2) 0.04913(13) Uani 1 1 d . . . . .
Pt2 Pt 0.34829(3) 0.47498(2) 0.38299(2) 0.04846(13) Uani 1 1 d . . . . .
N5 N 0.7574(6) 0.3695(4) 0.1771(4) 0.0481(18) Uani 1 1 d . . . . .
N6 N 0.4002(6) 0.3563(4) 0.3796(4) 0.0460(17) Uani 1 1 d . . . . .
N7 N 0.9274(6) 0.3633(5) 0.2680(5) 0.0506(18) Uani 1 1 d . . . . .
N8 N 0.7619(6) 0.1947(4) 0.2381(5) 0.0491(18) Uani 1 1 d . . . . .
N9 N 0.2952(6) 0.5952(5) 0.3862(5) 0.0493(18) Uani 1 1 d . . . . .
N10 N 0.3353(6) 0.5090(5) 0.2640(4) 0.0485(18) Uani 1 1 d . . . . .
N11 N 0.9334(7) 0.1873(5) 0.3281(5) 0.058(2) Uani 1 1 d . . . . .
N12 N 0.3624(7) 0.4430(5) 0.5008(5) 0.0536(19) Uani 1 1 d . . . . .
C13 C 0.4348(8) 0.2904(6) 0.4396(6) 0.050(2) Uani 1 1 d . . . . .
C14 C 0.4418(9) 0.2932(6) 0.5188(6) 0.056(2) Uani 1 1 d D . . . .
C15 C 0.2895(8) 0.6612(6) 0.2395(6) 0.055(2) Uani 1 1 d . . . . .
C16 C 0.4006(8) 0.3259(6) 0.3140(6) 0.051(2) Uani 1 1 d . . . . .
C17 C 0.7048(9) 0.4938(6) 0.0903(6) 0.059(3) Uani 1 1 d . . . . .
H17 H 0.704228 0.550264 0.059043 0.071 Uiso 1 1 calc R U . . .
C19 C 0.8590(8) 0.4865(6) 0.1662(6) 0.054(2) Uani 1 1 d . . . . .
C20 C 0.9253(8) 0.4456(6) 0.2255(6) 0.053(2) Uani 1 1 d . . . . .
C21 C 0.7822(8) 0.1103(6) 0.2685(6) 0.053(2) Uani 1 1 d . . . . .
C22 C 0.4319(8) 0.2378(6) 0.3378(6) 0.057(2) Uani 1 1 d . . . . .
H22 H 0.435527 0.200876 0.305921 0.069 Uiso 1 1 calc R U . . .
C23 C 0.9959(9) 0.4823(6) 0.2554(7) 0.061(3) Uani 1 1 d . . . . .
H23 H 1.008579 0.538847 0.237025 0.073 Uiso 1 1 calc R U . . .
C24 C 0.3800(7) 0.3712(6) 0.2378(6) 0.049(2) Uani 1 1 d . . . . .
C25 C 0.2774(8) 0.6615(6) 0.3218(6) 0.052(2) Uani 1 1 d . . . . .
C26 C 0.9102(10) 0.7364(6) 0.0338(6) 0.062(3) Uani 1 1 d . . . . .
C27 C 0.7800(8) 0.4506(6) 0.1458(6) 0.050(2) Uani 1 1 d . . . . .
C28 C 0.2898(9) 0.5762(6) 0.5324(6) 0.059(3) Uani 1 1 d . . . . .
H28 H 0.269136 0.603523 0.575750 0.071 Uiso 1 1 calc R U . . .
C112 C 0.2428(9) 0.7345(7) 0.3528(7) 0.063(3) Uani 1 1 d . . . . .
H112 H 0.228200 0.790039 0.320732 0.076 Uiso 1 1 calc R U . . .
C30 C 0.3361(9) 0.4946(7) 0.5529(6) 0.058(3) Uani 1 1 d . . . . .
C31 C 0.6198(8) 0.2894(6) 0.1588(5) 0.050(2) Uani 1 1 d . . . . .
C117 C 0.2885(9) 0.3250(6) 0.1495(6) 0.056(2) Uani 1 1 d . . . . .
H117 H 0.210354 0.347375 0.178113 0.067 Uiso 1 1 calc R U . . .
C114 C 0.5117(9) 0.2588(6) 0.0660(6) 0.058(2) Uani 1 1 d . . . . .
H114 H 0.588674 0.234888 0.037446 0.070 Uiso 1 1 calc R U . . .
C34 C 0.6677(8) 0.3607(6) 0.1452(6) 0.052(2) Uani 1 1 d . . . . .
C35 C 0.9937(9) 0.6732(6) 0.0081(6) 0.063(3) Uani 1 1 d . . . . .
H35 H 1.061898 0.685161 -0.039095 0.076 Uiso 1 1 calc R U . . .
C36 C 0.4088(8) 0.3665(7) 0.5441(6) 0.057(3) Uani 1 1 d . . . . .
C111 C 0.5073(9) 0.2937(6) 0.1305(5) 0.051(2) Uani 1 1 d . . . . .
C38 C 0.6344(9) 0.1343(6) 0.2023(6) 0.057(2) Uani 1 1 d . . . . .
H38 H 0.572853 0.127960 0.179686 0.068 Uiso 1 1 calc R U . . .
C39 C 1.0364(9) 0.2710(6) 0.3695(7) 0.065(3) Uani 1 1 d . . . . .
H39 H 1.085020 0.269015 0.405498 0.078 Uiso 1 1 calc R U . . .
C40 C 0.2708(9) 0.7412(6) 0.1765(6) 0.057(2) Uani 1 1 d . . . . .
C41 C 1.0423(9) 0.4225(7) 0.3150(7) 0.064(3) Uani 1 1 d . . . . .
H41 H 1.092154 0.429578 0.346246 0.077 Uiso 1 1 calc R U . . .
C43 C 0.9675(9) -0.0752(6) 0.3002(7) 0.066(3) Uani 1 1 d . . . . .
C44 C 0.4728(12) 0.7769(7) 0.1694(8) 0.089(4) Uani 1 1 d . . . . .
H44A H 0.527348 0.817795 0.132513 0.134 Uiso 1 1 calc R U . . .
H44B H 0.512806 0.721264 0.165098 0.134 Uiso 1 1 calc R U . . .
H44C H 0.455179 0.779670 0.227445 0.134 Uiso 1 1 calc R U . . .
C45 C 1.0083(10) 0.1973(6) 0.3709(7) 0.067(3) Uani 1 1 d . . . . .
C115 C 0.3923(9) 0.3277(6) 0.1726(6) 0.053(2) Uani 1 1 d . . . . .
C48 C 0.8727(9) -0.0266(6) 0.3445(7) 0.059(3) Uani 1 1 d . . . . .
C49 C 0.3717(10) 0.4508(7) 0.6289(6) 0.072(3) Uani 1 1 d . . . . .
H49 H 0.364183 0.473007 0.674245 0.086 Uiso 1 1 calc R U . . .
C50 C 0.7050(9) 0.0728(6) 0.2448(6) 0.063(3) Uani 1 1 d . . . . .
H50 H 0.703093 0.014973 0.256588 0.075 Uiso 1 1 calc R U . . .
C51 C 1.0019(9) 0.3481(6) 0.3215(6) 0.058(2) Uani 1 1 d . . . . .
C116 C 0.2969(10) 0.2902(6) 0.0854(6) 0.061(3) Uani 1 1 d . . . . .
H116 H 0.224705 0.288539 0.070911 0.074 Uiso 1 1 calc R U . . .
C53 C 0.6700(8) 0.2097(6) 0.1982(6) 0.052(2) Uani 1 1 d . . . . .
C54 C 0.3354(9) 0.5039(6) 0.1342(6) 0.057(2) Uani 1 1 d . . . . .
H54 H 0.339086 0.482410 0.089171 0.068 Uiso 1 1 calc R U . . .
C55 C 0.9723(10) -0.1604(7) 0.3264(7) 0.072(3) Uani 1 1 d . . . . .
H55 H 1.033379 -0.192566 0.293833 0.086 Uiso 1 1 calc R U . . .
C56 C 0.7950(9) 0.6389(6) 0.1440(6) 0.064(3) Uani 1 1 d . . . . .
H56 H 0.726491 0.627511 0.191099 0.077 Uiso 1 1 calc R U . . .
C58 C 0.1644(11) 0.7623(7) 0.1493(7) 0.074(3) Uani 1 1 d . . . . .
C113 C 0.4087(10) 0.2585(6) 0.0432(7) 0.068(3) Uani 1 1 d . . . . .
H113 H 0.414749 0.236184 -0.001871 0.082 Uiso 1 1 calc R U . . .
C61 C 0.2351(9) 0.7097(6) 0.4345(7) 0.065(3) Uani 1 1 d . . . . .
H61 H 0.210118 0.744868 0.471169 0.078 Uiso 1 1 calc R U . . .
C62 C 0.3167(8) 0.5838(6) 0.1331(6) 0.060(3) Uani 1 1 d . . . . .
H62 H 0.307086 0.629623 0.086689 0.071 Uiso 1 1 calc R U . . .
C63 C 0.3137(8) 0.5879(6) 0.2155(6) 0.054(2) Uani 1 1 d . . . . .
C64 C 0.8020(10) -0.1525(7) 0.4405(7) 0.072(3) Uani 1 1 d . . . . .
H64 H 0.745292 -0.178655 0.489545 0.086 Uiso 1 1 calc R U . . .
O65 O 0.9193(7) 0.8193(4) -0.0031(5) 0.084(2) Uani 1 1 d . . . . .
C66 C 0.3489(8) 0.4571(6) 0.2145(6) 0.053(2) Uani 1 1 d . . . . .
C67 C 0.8614(9) 0.0662(6) 0.3182(6) 0.055(2) Uani 1 1 d . . . . .
C68 C 0.9776(8) 0.5920(6) 0.0516(6) 0.055(2) Uani 1 1 d . . . . .
H68 H 1.035985 0.548112 0.034718 0.066 Uiso 1 1 calc R U . . .
C69 C 0.3393(11) 0.8696(7) 0.0816(7) 0.073(3) Uani 1 1 d . . . . .
H69 H 0.399515 0.906408 0.060235 0.087 Uiso 1 1 calc R U . . .
C70 C 0.6337(9) 0.4400(6) 0.0901(6) 0.058(3) Uani 1 1 d . . . . .
H70 H 0.573399 0.452050 0.059749 0.070 Uiso 1 1 calc R U . . .
C71 C 0.3554(10) 0.7952(7) 0.1436(7) 0.069(3) Uani 1 1 d . . . . .
C73 C 0.8760(8) 0.5739(6) 0.1204(6) 0.052(2) Uani 1 1 d . . . . .
C74 C 0.4170(10) 0.3734(8) 0.6246(6) 0.071(3) Uani 1 1 d . . . . .
H74 H 0.448784 0.330660 0.665826 0.085 Uiso 1 1 calc R U . . .
C75 C 0.8101(10) 0.7198(6) 0.1018(7) 0.066(3) Uani 1 1 d . . . . .
H75 H 0.752381 0.763747 0.119088 0.079 Uiso 1 1 calc R U . . .
C78 C 0.2696(8) 0.6233(6) 0.4583(6) 0.056(2) Uani 1 1 d . . . . .
C80 C 0.4690(13) 0.2144(9) 0.5828(8) 0.067(2) Uani 0.68(2) 1 d DG U P A 1
C77 C 0.3840(12) 0.1929(8) 0.6598(8) 0.069(3) Uani 0.68(2) 1 d DG U P A 1
H77 H 0.307095 0.226600 0.670947 0.083 Uiso 0.68(2) 1 calc R U P A 1
C2 C 0.4115(14) 0.1220(8) 0.7206(7) 0.073(3) Uani 0.68(2) 1 d DG U P A 1
H2 H 0.353432 0.107288 0.773261 0.088 Uiso 0.68(2) 1 calc R U P A 1
C87 C 0.5241(15) 0.0727(6) 0.7044(8) 0.076(3) Uani 0.68(2) 1 d DG U P A 1
C12 C 0.6091(12) 0.0942(7) 0.6274(9) 0.075(3) Uani 0.68(2) 1 d DG U P A 1
H12 H 0.686000 0.060490 0.616256 0.091 Uiso 0.68(2) 1 calc R U P A 1
C6 C 0.5816(12) 0.1651(8) 0.5666(8) 0.069(3) Uani 0.68(2) 1 d DG U P A 1
H6 H 0.639665 0.179802 0.513941 0.083 Uiso 0.68(2) 1 calc R U P A 1
C81 C 0.6833(11) -0.0176(7) 0.4621(8) 0.096(4) Uani 1 1 d . . . . .
H81A H 0.612313 -0.010076 0.439711 0.144 Uiso 1 1 calc R U . . .
H81B H 0.704408 0.036734 0.456504 0.144 Uiso 1 1 calc R U . . .
H81C H 0.663285 -0.048164 0.521473 0.144 Uiso 1 1 calc R U . . .
C85 C 0.9306(9) 0.1042(6) 0.3458(6) 0.060(3) Uani 1 1 d . . . . .
C86 C 0.7901(9) -0.0652(6) 0.4144(7) 0.064(3) Uani 1 1 d . . . . .
C90 C 0.0644(11) 0.7112(8) 0.1841(9) 0.101(4) Uani 1 1 d . . . . .
H90A H 0.077555 0.671178 0.151346 0.151 Uiso 1 1 calc R U . . .
H90B H -0.013963 0.746685 0.181729 0.151 Uiso 1 1 calc R U . . .
H90C H 0.062618 0.681391 0.242530 0.151 Uiso 1 1 calc R U . . .
C94 C 0.2369(12) 0.8885(8) 0.0523(7) 0.080(3) Uani 1 1 d . . . . .
C100 C 1.0603(12) -0.0346(7) 0.2240(8) 0.098(4) Uani 1 1 d . . . . .
H10A H 1.029282 -0.022054 0.174350 0.148 Uiso 1 1 calc R U . . .
H10B H 1.137586 -0.072206 0.217008 0.148 Uiso 1 1 calc R U . . .
H10C H 1.074466 0.016845 0.231087 0.148 Uiso 1 1 calc R U . . .
C104 C 0.4549(9) 0.2169(7) 0.4125(7) 0.066(3) Uani 1 1 d . . . . .
H104 H 0.480389 0.162494 0.442645 0.079 Uiso 1 1 calc R U . . .
C110 C 1.0159(12) 0.8387(7) -0.0784(7) 0.094(4) Uani 1 1 d . . . . .
H11A H 1.006855 0.814080 -0.119837 0.141 Uiso 1 1 calc R U . . .
H11B H 1.095546 0.816298 -0.065779 0.141 Uiso 1 1 calc R U . . .
H11C H 1.011279 0.898991 -0.101060 0.141 Uiso 1 1 calc R U . . .
C5 C 0.8926(11) -0.2007(7) 0.3972(8) 0.074(3) Uani 1 1 d . . . . .
O7 O 0.5394(17) 0.0067(7) 0.7706(9) 0.090(3) Uani 0.68(2) 1 d D U P A 1
C10 C 0.9042(11) -0.2963(7) 0.4266(8) 0.089(4) Uani 1 1 d . . . . .
H10D H 0.849436 -0.313374 0.482795 0.133 Uiso 1 1 calc R U . . .
H10E H 0.989192 -0.319034 0.428271 0.133 Uiso 1 1 calc R U . . .
H10F H 0.881376 -0.317157 0.387522 0.133 Uiso 1 1 calc R U . . .
C11 C 0.1474(12) 0.8353(7) 0.0886(8) 0.077(3) Uani 1 1 d . . . . .
H11 H 0.073400 0.849377 0.071346 0.093 Uiso 1 1 calc R U . . .
C1 C 0.2219(15) 0.9704(7) -0.0147(8) 0.120(6) Uani 1 1 d . . . . .
H1A H 0.153024 1.007930 0.009278 0.181 Uiso 1 1 calc R U . . .
H1B H 0.205684 0.959556 -0.062285 0.181 Uiso 1 1 calc R U . . .
H1C H 0.297394 0.996135 -0.033722 0.181 Uiso 1 1 calc R U . . .
C3 C 0.653(2) -0.0475(12) 0.7556(16) 0.106(6) Uani 0.68(2) 1 d D U P A 1
H3A H 0.646682 -0.084411 0.724130 0.158 Uiso 0.68(2) 1 calc R U P A 1
H3B H 0.669075 -0.080689 0.809308 0.158 Uiso 0.68(2) 1 calc R U P A 1
H3C H 0.719929 -0.014543 0.723136 0.158 Uiso 0.68(2) 1 calc R U P A 1
C4 C 1.0102(11) 0.0618(7) 0.3990(8) 0.080(3) Uani 1 1 d . . . . .
H4 H 1.027205 0.003348 0.419366 0.095 Uiso 1 1 calc R U . . .
C7 C 1.0569(12) 0.1183(7) 0.4152(8) 0.090(4) Uani 1 1 d . . . . .
H7 H 1.111663 0.107811 0.449483 0.107 Uiso 1 1 calc R U . . .
O7A O 0.609(4) 0.0020(15) 0.7401(19) 0.093(4) Uani 0.32(2) 1 d D U P A 2
C3A C 0.703(4) -0.058(2) 0.708(3) 0.105(9) Uani 0.32(2) 1 d D U P A 2
H3AA H 0.701797 -0.053383 0.650177 0.157 Uiso 0.32(2) 1 calc R U P A 2
H3AB H 0.688558 -0.113492 0.742853 0.157 Uiso 0.32(2) 1 calc R U P A 2
H3AC H 0.783236 -0.046890 0.707158 0.157 Uiso 0.32(2) 1 calc R U P A 2
C80A C 0.490(3) 0.2118(18) 0.5733(18) 0.067(2) Uani 0.32(2) 1 d DG U P A 2
C77A C 0.420(2) 0.1802(17) 0.6538(17) 0.071(4) Uani 0.32(2) 1 d DG U P A 2
H77A H 0.340424 0.208009 0.673503 0.086 Uiso 0.32(2) 1 calc R U P A 2
C2A C 0.465(3) 0.1080(16) 0.7055(14) 0.076(3) Uani 0.32(2) 1 d DG U P A 2
H2A H 0.416956 0.086401 0.760567 0.091 Uiso 0.32(2) 1 calc R U P A 2
C87A C 0.581(3) 0.0673(13) 0.6767(18) 0.080(4) Uani 0.32(2) 1 d DG U P A 2
C12A C 0.652(2) 0.0989(15) 0.5962(19) 0.075(4) Uani 0.32(2) 1 d DG U P A 2
H12A H 0.730980 0.071163 0.576528 0.090 Uiso 0.32(2) 1 calc R U P A 2
C6A C 0.606(3) 0.1712(18) 0.5445(16) 0.071(4) Uani 0.32(2) 1 d DG U P A 2
H6A H 0.654450 0.192771 0.489462 0.085 Uiso 0.32(2) 1 calc R U P A 2


_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 N5 2.014(7) . ?
Pt1 N7 2.015(7) . ?
Pt1 N8 2.008(7) . ?
Pt1 N11 2.011(7) . ?
Pt2 N6 2.006(7) . ?
Pt2 N9 2.030(7) . ?
Pt2 N10 2.009(7) . ?
Pt2 N12 1.996(7) . ?
N5 C27 1.375(11) . ?
N5 C34 1.370(11) . ?
N6 C13 1.361(11) . ?
N6 C16 1.391(11) . ?
N7 C20 1.371(11) . ?
N7 C51 1.383(11) . ?
N8 C21 1.372(11) . ?
N8 C53 1.377(11) . ?
N9 C25 1.354(12) . ?
N9 C78 1.406(11) . ?
N10 C63 1.370(11) . ?
N10 C66 1.375(11) . ?
N11 C45 1.366(12) . ?
N11 C85 1.366(11) . ?
N12 C30 1.382(12) . ?
N12 C36 1.379(12) . ?
C13 C14 1.419(12) . ?
C13 C104 1.426(13) . ?
C14 C36 1.396(13) . ?
C14 C80 1.501(11) . ?
C14 C80A 1.523(15) . ?
C15 C25 1.396(13) . ?
C15 C40 1.484(13) . ?
C15 C63 1.390(12) . ?
C16 C22 1.430(13) . ?
C16 C24 1.374(13) . ?
C17 H17 0.9500 . ?
C17 C27 1.422(13) . ?
C17 C70 1.361(13) . ?
C19 C20 1.393(13) . ?
C19 C27 1.383(12) . ?
C19 C73 1.484(12) . ?
C20 C23 1.419(13) . ?
C21 C50 1.420(13) . ?
C21 C67 1.390(13) . ?
C22 H22 0.9500 . ?
C22 C104 1.328(13) . ?
C23 H23 0.9500 . ?
C23 C41 1.361(13) . ?
C24 C115 1.495(12) . ?
C24 C66 1.395(12) . ?
C25 C112 1.444(13) . ?
C26 C35 1.375(14) . ?
C26 O65 1.376(11) . ?
C26 C75 1.381(14) . ?
C28 H28 0.9500 . ?
C28 C30 1.361(13) . ?
C28 C78 1.349(13) . ?
C112 H112 0.9500 . ?
C112 C61 1.328(13) . ?
C30 C49 1.435(13) . ?
C31 C34 1.372(12) . ?
C31 C111 1.504(12) . ?
C31 C53 1.411(12) . ?
C117 H117 0.9500 . ?
C117 C115 1.390(12) . ?
C117 C116 1.387(12) . ?
C114 H114 0.9500 . ?
C114 C111 1.408(12) . ?
C114 C113 1.366(13) . ?
C34 C70 1.451(13) . ?
C35 H35 0.9500 . ?
C35 C68 1.382(12) . ?
C36 C74 1.473(13) . ?
C111 C115 1.404(12) . ?
C38 H38 0.9500 . ?
C38 C50 1.355(13) . ?
C38 C53 1.411(12) . ?
C39 H39 0.9500 . ?
C39 C45 1.361(13) . ?
C39 C51 1.374(13) . ?
C40 C58 1.386(14) . ?
C40 C71 1.362(13) . ?
C41 H41 0.9500 . ?
C41 C51 1.411(13) . ?
C43 C48 1.404(14) . ?
C43 C55 1.381(13) . ?
C43 C100 1.503(14) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C44 C71 1.497(15) . ?
C45 C7 1.424(15) . ?
C48 C67 1.498(13) . ?
C48 C86 1.373(13) . ?
C49 H49 0.9500 . ?
C49 C74 1.332(14) . ?
C50 H50 0.9500 . ?
C116 H116 0.9500 . ?
C116 C113 1.366(14) . ?
C54 H54 0.9500 . ?
C54 C62 1.334(12) . ?
C54 C66 1.412(13) . ?
C55 H55 0.9500 . ?
C55 C5 1.374(15) . ?
C56 H56 0.9500 . ?
C56 C73 1.372(13) . ?
C56 C75 1.372(13) . ?
C58 C90 1.465(15) . ?
C58 C11 1.383(15) . ?
C113 H113 0.9500 . ?
C61 H61 0.9500 . ?
C61 C78 1.411(13) . ?
C62 H62 0.9500 . ?
C62 C63 1.443(12) . ?
C64 H64 0.9500 . ?
C64 C86 1.409(14) . ?
C64 C5 1.368(15) . ?
O65 C110 1.435(12) . ?
C67 C85 1.394(13) . ?
C68 H68 0.9500 . ?
C68 C73 1.403(12) . ?
C69 H69 0.9500 . ?
C69 C71 1.409(15) . ?
C69 C94 1.365(16) . ?
C70 H70 0.9500 . ?
C74 H74 0.9500 . ?
C75 H75 0.9500 . ?
C80 C77 1.3900 . ?
C80 C6 1.3900 . ?
C77 H77 0.9500 . ?
C77 C2 1.3900 . ?
C2 H2 0.9500 . ?
C2 C87 1.3900 . ?
C87 C12 1.3900 . ?
C87 O7 1.365(11) . ?
C12 H12 0.9500 . ?
C12 C6 1.3900 . ?
C6 H6 0.9500 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C81 C86 1.494(15) . ?
C85 C4 1.429(14) . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C94 C11 1.394(16) . ?
C94 C1 1.535(16) . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C104 H104 0.9500 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C5 C10 1.545(14) . ?
O7 C3 1.44(2) . ?
C10 H10D 0.9800 . ?
C10 H10E 0.9800 . ?
C10 H10F 0.9800 . ?
C11 H11 0.9500 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4 0.9500 . ?
C4 C7 1.340(15) . ?
C7 H7 0.9500 . ?
O7A C3A 1.43(3) . ?
O7A C87A 1.365(17) . ?
C3A H3AA 0.9800 . ?
C3A H3AB 0.9800 . ?
C3A H3AC 0.9800 . ?
C80A C77A 1.3900 . ?
C80A C6A 1.3900 . ?
C77A H77A 0.9500 . ?
C77A C2A 1.3900 . ?
C2A H2A 0.9500 . ?
C2A C87A 1.3900 . ?
C87A C12A 1.3900 . ?
C12A H12A 0.9500 . ?
C12A C6A 1.3900 . ?
C6A H6A 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N5 Pt1 N7 89.6(3) . . ?
N8 Pt1 N5 90.0(3) . . ?
N8 Pt1 N7 179.6(3) . . ?
N8 Pt1 N11 89.9(3) . . ?
N11 Pt1 N5 179.4(3) . . ?
N11 Pt1 N7 90.5(3) . . ?
N6 Pt2 N9 179.7(3) . . ?
N6 Pt2 N10 91.3(3) . . ?
N10 Pt2 N9 88.5(3) . . ?
N12 Pt2 N6 89.4(3) . . ?
N12 Pt2 N9 90.8(3) . . ?
N12 Pt2 N10 179.0(3) . . ?
C27 N5 Pt1 126.1(6) . . ?
C34 N5 Pt1 125.8(6) . . ?
C34 N5 C27 108.0(7) . . ?
C13 N6 Pt2 128.5(6) . . ?
C13 N6 C16 106.9(7) . . ?
C16 N6 Pt2 124.5(6) . . ?
C20 N7 Pt1 127.3(6) . . ?
C20 N7 C51 106.8(8) . . ?
C51 N7 Pt1 125.8(6) . . ?
C21 N8 Pt1 126.7(6) . . ?
C21 N8 C53 105.7(7) . . ?
C53 N8 Pt1 127.6(6) . . ?
C25 N9 Pt2 127.5(6) . . ?
C25 N9 C78 108.0(8) . . ?
C78 N9 Pt2 124.5(7) . . ?
C63 N10 Pt2 127.3(6) . . ?
C63 N10 C66 106.2(7) . . ?
C66 N10 Pt2 126.5(7) . . ?
C45 N11 Pt1 126.1(6) . . ?
C45 N11 C85 107.1(8) . . ?
C85 N11 Pt1 126.9(6) . . ?
C30 N12 Pt2 126.7(7) . . ?
C36 N12 Pt2 126.8(6) . . ?
C36 N12 C30 106.3(8) . . ?
N6 C13 C14 125.7(9) . . ?
N6 C13 C104 109.0(8) . . ?
C14 C13 C104 125.2(9) . . ?
C13 C14 C80 120.2(11) . . ?
C13 C14 C80A 115.8(19) . . ?
C36 C14 C13 121.9(9) . . ?
C36 C14 C80 117.5(11) . . ?
C36 C14 C80A 122.3(19) . . ?
C25 C15 C40 119.2(8) . . ?
C63 C15 C25 121.8(9) . . ?
C63 C15 C40 119.0(9) . . ?
N6 C16 C22 108.0(8) . . ?
C24 C16 N6 127.0(9) . . ?
C24 C16 C22 124.9(8) . . ?
C27 C17 H17 126.1 . . ?
C70 C17 H17 126.1 . . ?
C70 C17 C27 107.8(9) . . ?
C20 C19 C73 118.1(8) . . ?
C27 C19 C20 124.4(9) . . ?
C27 C19 C73 117.5(9) . . ?
N7 C20 C19 125.1(8) . . ?
N7 C20 C23 108.6(9) . . ?
C19 C20 C23 126.2(9) . . ?
N8 C21 C50 109.6(9) . . ?
N8 C21 C67 126.7(9) . . ?
C67 C21 C50 123.7(9) . . ?
C16 C22 H22 126.1 . . ?
C104 C22 C16 107.9(9) . . ?
C104 C22 H22 126.1 . . ?
C20 C23 H23 125.8 . . ?
C41 C23 C20 108.3(9) . . ?
C41 C23 H23 125.8 . . ?
C16 C24 C115 119.3(9) . . ?
C16 C24 C66 125.0(8) . . ?
C66 C24 C115 115.6(8) . . ?
N9 C25 C15 127.0(9) . . ?
N9 C25 C112 108.1(9) . . ?
C15 C25 C112 124.9(9) . . ?
C35 C26 O65 124.2(10) . . ?
C35 C26 C75 120.8(9) . . ?
O65 C26 C75 114.9(9) . . ?
N5 C27 C17 108.9(8) . . ?
N5 C27 C19 126.5(9) . . ?
C19 C27 C17 124.5(9) . . ?
C30 C28 H28 115.9 . . ?
C78 C28 H28 115.9 . . ?
C78 C28 C30 128.2(10) . . ?
C25 C112 H112 126.3 . . ?
C61 C112 C25 107.4(10) . . ?
C61 C112 H112 126.3 . . ?
N12 C30 C49 110.0(10) . . ?
C28 C30 N12 124.4(9) . . ?
C28 C30 C49 125.5(10) . . ?
C34 C31 C111 119.8(9) . . ?
C34 C31 C53 124.1(8) . . ?
C53 C31 C111 116.1(8) . . ?
C115 C117 H117 119.4 . . ?
C116 C117 H117 119.4 . . ?
C116 C117 C115 121.3(9) . . ?
C111 C114 H114 119.0 . . ?
C113 C114 H114 119.0 . . ?
C113 C114 C111 122.0(9) . . ?
N5 C34 C31 127.1(9) . . ?
N5 C34 C70 108.2(8) . . ?
C31 C34 C70 124.6(9) . . ?
C26 C35 H35 120.3 . . ?
C26 C35 C68 119.4(9) . . ?
C68 C35 H35 120.3 . . ?
N12 C36 C14 127.3(9) . . ?
N12 C36 C74 108.5(9) . . ?
C14 C36 C74 124.2(10) . . ?
C114 C111 C31 121.7(8) . . ?
C115 C111 C31 120.1(7) . . ?
C115 C111 C114 118.0(8) . . ?
C50 C38 H38 126.6 . . ?
C50 C38 C53 106.7(9) . . ?
C53 C38 H38 126.6 . . ?
C45 C39 H39 116.5 . . ?
C45 C39 C51 127.0(10) . . ?
C51 C39 H39 116.5 . . ?
C58 C40 C15 119.7(9) . . ?
C71 C40 C15 122.2(9) . . ?
C71 C40 C58 118.1(10) . . ?
C23 C41 H41 126.7 . . ?
C23 C41 C51 106.7(9) . . ?
C51 C41 H41 126.7 . . ?
C48 C43 C100 120.2(10) . . ?
C55 C43 C48 119.1(10) . . ?
C55 C43 C100 120.7(10) . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C71 C44 H44A 109.5 . . ?
C71 C44 H44B 109.5 . . ?
C71 C44 H44C 109.5 . . ?
N11 C45 C7 109.7(9) . . ?
C39 C45 N11 125.6(10) . . ?
C39 C45 C7 124.7(10) . . ?
C117 C115 C24 119.3(8) . . ?
C117 C115 C111 118.9(8) . . ?
C111 C115 C24 121.6(8) . . ?
C43 C48 C67 121.6(9) . . ?
C86 C48 C43 119.0(9) . . ?
C86 C48 C67 119.4(9) . . ?
C30 C49 H49 126.1 . . ?
C74 C49 C30 107.8(9) . . ?
C74 C49 H49 126.1 . . ?
C21 C50 H50 126.2 . . ?
C38 C50 C21 107.6(9) . . ?
C38 C50 H50 126.2 . . ?
N7 C51 C41 109.6(9) . . ?
C39 C51 N7 124.6(9) . . ?
C39 C51 C41 125.7(9) . . ?
C117 C116 H116 119.9 . . ?
C113 C116 C117 120.1(9) . . ?
C113 C116 H116 119.9 . . ?
N8 C53 C31 124.2(8) . . ?
N8 C53 C38 110.4(8) . . ?
C31 C53 C38 125.4(9) . . ?
C62 C54 H54 126.2 . . ?
C62 C54 C66 107.6(8) . . ?
C66 C54 H54 126.2 . . ?
C43 C55 H55 118.5 . . ?
C5 C55 C43 123.0(11) . . ?
C5 C55 H55 118.5 . . ?
C73 C56 H56 119.0 . . ?
C75 C56 H56 119.0 . . ?
C75 C56 C73 122.0(10) . . ?
C40 C58 C90 122.6(11) . . ?
C11 C58 C40 120.4(11) . . ?
C11 C58 C90 117.0(11) . . ?
C114 C113 H113 120.2 . . ?
C116 C113 C114 119.7(9) . . ?
C116 C113 H113 120.2 . . ?
C112 C61 H61 125.2 . . ?
C112 C61 C78 109.5(9) . . ?
C78 C61 H61 125.2 . . ?
C54 C62 H62 126.3 . . ?
C54 C62 C63 107.4(9) . . ?
C63 C62 H62 126.3 . . ?
N10 C63 C15 127.3(9) . . ?
N10 C63 C62 108.7(8) . . ?
C15 C63 C62 124.0(9) . . ?
C86 C64 H64 119.0 . . ?
C5 C64 H64 119.0 . . ?
C5 C64 C86 122.1(11) . . ?
C26 O65 C110 116.2(9) . . ?
N10 C66 C24 125.1(9) . . ?
N10 C66 C54 110.0(8) . . ?
C24 C66 C54 124.8(8) . . ?
C21 C67 C48 118.9(8) . . ?
C21 C67 C85 123.1(9) . . ?
C85 C67 C48 118.0(9) . . ?
C35 C68 H68 119.7 . . ?
C35 C68 C73 120.6(9) . . ?
C73 C68 H68 119.7 . . ?
C71 C69 H69 120.2 . . ?
C94 C69 H69 120.2 . . ?
C94 C69 C71 119.7(11) . . ?
C17 C70 C34 107.0(9) . . ?
C17 C70 H70 126.5 . . ?
C34 C70 H70 126.5 . . ?
C40 C71 C44 121.4(11) . . ?
C40 C71 C69 122.1(11) . . ?
C69 C71 C44 116.5(11) . . ?
C56 C73 C19 121.7(9) . . ?
C56 C73 C68 118.1(9) . . ?
C68 C73 C19 120.2(9) . . ?
C36 C74 H74 126.4 . . ?
C49 C74 C36 107.3(10) . . ?
C49 C74 H74 126.4 . . ?
C26 C75 H75 120.5 . . ?
C56 C75 C26 119.1(10) . . ?
C56 C75 H75 120.5 . . ?
N9 C78 C61 106.9(9) . . ?
C28 C78 N9 124.9(10) . . ?
C28 C78 C61 127.8(9) . . ?
C77 C80 C14 120.0(8) . . ?
C77 C80 C6 120.0 . . ?
C6 C80 C14 120.0(8) . . ?
C80 C77 H77 120.0 . . ?
C80 C77 C2 120.0 . . ?
C2 C77 H77 120.0 . . ?
C77 C2 H2 120.0 . . ?
C87 C2 C77 120.0 . . ?
C87 C2 H2 120.0 . . ?
C2 C87 C12 120.0 . . ?
O7 C87 C2 113.3(10) . . ?
O7 C87 C12 126.6(10) . . ?
C87 C12 H12 120.0 . . ?
C6 C12 C87 120.0 . . ?
C6 C12 H12 120.0 . . ?
C80 C6 H6 120.0 . . ?
C12 C6 C80 120.0 . . ?
C12 C6 H6 120.0 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C86 C81 H81A 109.5 . . ?
C86 C81 H81B 109.5 . . ?
C86 C81 H81C 109.5 . . ?
N11 C85 C67 126.6(9) . . ?
N11 C85 C4 108.2(9) . . ?
C67 C85 C4 125.2(10) . . ?
C48 C86 C64 119.6(10) . . ?
C48 C86 C81 121.9(10) . . ?
C64 C86 C81 118.4(10) . . ?
C58 C90 H90A 109.5 . . ?
C58 C90 H90B 109.5 . . ?
C58 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C69 C94 C11 118.4(12) . . ?
C69 C94 C1 118.3(13) . . ?
C11 C94 C1 123.2(13) . . ?
C43 C100 H10A 109.5 . . ?
C43 C100 H10B 109.5 . . ?
C43 C100 H10C 109.5 . . ?
H10A C100 H10B 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C13 C104 H104 125.9 . . ?
C22 C104 C13 108.1(9) . . ?
C22 C104 H104 125.9 . . ?
O65 C110 H11A 109.5 . . ?
O65 C110 H11B 109.5 . . ?
O65 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C55 C5 C10 121.6(11) . . ?
C64 C5 C55 117.1(11) . . ?
C64 C5 C10 121.4(11) . . ?
C87 O7 C3 115.2(14) . . ?
C5 C10 H10D 109.5 . . ?
C5 C10 H10E 109.5 . . ?
C5 C10 H10F 109.5 . . ?
H10D C10 H10E 109.5 . . ?
H10D C10 H10F 109.5 . . ?
H10E C10 H10F 109.5 . . ?
C58 C11 C94 121.3(12) . . ?
C58 C11 H11 119.4 . . ?
C94 C11 H11 119.4 . . ?
C94 C1 H1A 109.5 . . ?
C94 C1 H1B 109.5 . . ?
C94 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O7 C3 H3A 109.5 . . ?
O7 C3 H3B 109.5 . . ?
O7 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C85 C4 H4 125.8 . . ?
C7 C4 C85 108.5(10) . . ?
C7 C4 H4 125.8 . . ?
C45 C7 H7 126.8 . . ?
C4 C7 C45 106.5(10) . . ?
C4 C7 H7 126.8 . . ?
C87A O7A C3A 111(2) . . ?
O7A C3A H3AA 109.5 . . ?
O7A C3A H3AB 109.5 . . ?
O7A C3A H3AC 109.5 . . ?
H3AA C3A H3AB 109.5 . . ?
H3AA C3A H3AC 109.5 . . ?
H3AB C3A H3AC 109.5 . . ?
C77A C80A C14 119.4(14) . . ?
C77A C80A C6A 120.0 . . ?
C6A C80A C14 120.5(14) . . ?
C80A C77A H77A 120.0 . . ?
C2A C77A C80A 120.0 . . ?
C2A C77A H77A 120.0 . . ?
C77A C2A H2A 120.0 . . ?
C77A C2A C87A 120.0 . . ?
C87A C2A H2A 120.0 . . ?
O7A C87A C2A 109.3(17) . . ?
O7A C87A C12A 130.6(17) . . ?
C12A C87A C2A 120.0 . . ?
C87A C12A H12A 120.0 . . ?
C87A C12A C6A 120.0 . . ?
C6A C12A H12A 120.0 . . ?
C80A C6A H6A 120.0 . . ?
C12A C6A C80A 120.0 . . ?
C12A C6A H6A 120.0 . . ?

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 N5 C27 C17 176.2(6) . . . . ?
Pt1 N5 C27 C19 -6.0(13) . . . . ?
Pt1 N5 C34 C31 0.4(13) . . . . ?
Pt1 N5 C34 C70 -177.1(6) . . . . ?
Pt1 N7 C20 C19 3.5(13) . . . . ?
Pt1 N7 C20 C23 -179.7(6) . . . . ?
Pt1 N7 C51 C39 3.9(13) . . . . ?
Pt1 N7 C51 C41 -179.7(6) . . . . ?
Pt1 N8 C21 C50 179.7(6) . . . . ?
Pt1 N8 C21 C67 2.4(13) . . . . ?
Pt1 N8 C53 C31 1.3(12) . . . . ?
Pt1 N8 C53 C38 -178.9(6) . . . . ?
Pt1 N11 C45 C39 -0.5(16) . . . . ?
Pt1 N11 C45 C7 -178.3(8) . . . . ?
Pt1 N11 C85 C67 -3.0(15) . . . . ?
Pt1 N11 C85 C4 177.7(7) . . . . ?
Pt2 N6 C13 C14 -0.4(13) . . . . ?
Pt2 N6 C13 C104 175.6(6) . . . . ?
Pt2 N6 C16 C22 -174.6(5) . . . . ?
Pt2 N6 C16 C24 8.0(12) . . . . ?
Pt2 N9 C25 C15 1.4(13) . . . . ?
Pt2 N9 C25 C112 -178.7(6) . . . . ?
Pt2 N9 C78 C28 7.7(13) . . . . ?
Pt2 N9 C78 C61 -179.5(6) . . . . ?
Pt2 N10 C63 C15 -3.7(14) . . . . ?
Pt2 N10 C63 C62 177.7(6) . . . . ?
Pt2 N10 C66 C24 -3.2(13) . . . . ?
Pt2 N10 C66 C54 -179.0(6) . . . . ?
Pt2 N12 C30 C28 3.5(13) . . . . ?
Pt2 N12 C30 C49 -173.1(6) . . . . ?
Pt2 N12 C36 C14 -8.3(13) . . . . ?
Pt2 N12 C36 C74 172.6(6) . . . . ?
N5 C34 C70 C17 0.4(11) . . . . ?
N6 C13 C14 C36 2.1(14) . . . . ?
N6 C13 C14 C80 173.8(10) . . . . ?
N6 C13 C14 C80A -176.6(16) . . . . ?
N6 C13 C104 C22 -0.6(11) . . . . ?
N6 C16 C22 C104 -2.8(10) . . . . ?
N6 C16 C24 C115 176.0(8) . . . . ?
N6 C16 C24 C66 -3.3(15) . . . . ?
N7 C20 C23 C41 0.9(11) . . . . ?
N8 C21 C50 C38 -2.0(11) . . . . ?
N8 C21 C67 C48 -179.1(8) . . . . ?
N8 C21 C67 C85 1.5(15) . . . . ?
N9 C25 C112 C61 -2.9(11) . . . . ?
N11 C45 C7 C4 -0.3(14) . . . . ?
N11 C85 C4 C7 2.0(14) . . . . ?
N12 C30 C49 C74 -1.0(12) . . . . ?
N12 C36 C74 C49 2.6(11) . . . . ?
C13 N6 C16 C22 2.4(9) . . . . ?
C13 N6 C16 C24 -175.0(8) . . . . ?
C13 C14 C36 N12 2.5(15) . . . . ?
C13 C14 C36 C74 -178.5(9) . . . . ?
C13 C14 C80 C77 -118.9(11) . . . . ?
C13 C14 C80 C6 64.2(14) . . . . ?
C13 C14 C80A C77A -124(2) . . . . ?
C13 C14 C80A C6A 58(3) . . . . ?
C14 C13 C104 C22 175.6(9) . . . . ?
C14 C36 C74 C49 -176.6(9) . . . . ?
C14 C80 C77 C2 -177.0(18) . . . . ?
C14 C80 C6 C12 177.0(18) . . . . ?
C14 C80A C77A C2A -177(4) . . . . ?
C14 C80A C6A C12A 177(4) . . . . ?
C15 C25 C112 C61 176.9(9) . . . . ?
C15 C40 C58 C90 4.0(16) . . . . ?
C15 C40 C58 C11 -177.8(10) . . . . ?
C15 C40 C71 C44 -0.1(15) . . . . ?
C15 C40 C71 C69 177.6(9) . . . . ?
C16 N6 C13 C14 -177.3(8) . . . . ?
C16 N6 C13 C104 -1.2(10) . . . . ?
C16 C22 C104 C13 2.0(11) . . . . ?
C16 C24 C115 C117 112.8(10) . . . . ?
C16 C24 C115 C111 -71.0(12) . . . . ?
C16 C24 C66 N10 0.6(15) . . . . ?
C16 C24 C66 C54 175.8(9) . . . . ?
C19 C20 C23 C41 177.6(9) . . . . ?
C20 N7 C51 C39 -173.8(9) . . . . ?
C20 N7 C51 C41 2.7(10) . . . . ?
C20 C19 C27 N5 -2.7(15) . . . . ?
C20 C19 C27 C17 174.7(9) . . . . ?
C20 C19 C73 C56 -98.2(11) . . . . ?
C20 C19 C73 C68 80.9(12) . . . . ?
C20 C23 C41 C51 0.8(11) . . . . ?
C21 N8 C53 C31 179.1(8) . . . . ?
C21 N8 C53 C38 -1.1(9) . . . . ?
C21 C67 C85 N11 -1.1(16) . . . . ?
C21 C67 C85 C4 178.0(10) . . . . ?
C22 C16 C24 C115 -1.0(13) . . . . ?
C22 C16 C24 C66 179.7(8) . . . . ?
C23 C41 C51 N7 -2.2(11) . . . . ?
C23 C41 C51 C39 174.2(10) . . . . ?
C24 C16 C22 C104 174.7(9) . . . . ?
C25 N9 C78 C28 -172.6(9) . . . . ?
C25 N9 C78 C61 0.3(10) . . . . ?
C25 C15 C40 C58 -106.1(11) . . . . ?
C25 C15 C40 C71 74.2(13) . . . . ?
C25 C15 C63 N10 -3.8(15) . . . . ?
C25 C15 C63 C62 174.5(9) . . . . ?
C25 C112 C61 C78 3.1(11) . . . . ?
C26 C35 C68 C73 1.2(15) . . . . ?
C27 N5 C34 C31 178.4(9) . . . . ?
C27 N5 C34 C70 0.9(10) . . . . ?
C27 C17 C70 C34 -1.4(11) . . . . ?
C27 C19 C20 N7 4.1(15) . . . . ?
C27 C19 C20 C23 -172.1(9) . . . . ?
C27 C19 C73 C56 83.1(12) . . . . ?
C27 C19 C73 C68 -97.9(11) . . . . ?
C28 C30 C49 C74 -177.5(9) . . . . ?
C112 C61 C78 N9 -2.2(11) . . . . ?
C112 C61 C78 C28 170.4(10) . . . . ?
C30 N12 C36 C14 176.0(9) . . . . ?
C30 N12 C36 C74 -3.1(10) . . . . ?
C30 C28 C78 N9 -0.7(16) . . . . ?
C30 C28 C78 C61 -172.0(10) . . . . ?
C30 C49 C74 C36 -0.9(12) . . . . ?
C31 C34 C70 C17 -177.2(9) . . . . ?
C31 C111 C115 C24 8.9(14) . . . . ?
C31 C111 C115 C117 -175.0(9) . . . . ?
C117 C116 C113 C114 1.9(16) . . . . ?
C114 C111 C115 C24 -175.7(9) . . . . ?
C114 C111 C115 C117 0.5(14) . . . . ?
C34 N5 C27 C17 -1.7(10) . . . . ?
C34 N5 C27 C19 176.0(9) . . . . ?
C34 C31 C111 C114 113.2(10) . . . . ?
C34 C31 C111 C115 -71.5(11) . . . . ?
C34 C31 C53 N8 9.6(14) . . . . ?
C34 C31 C53 C38 -170.2(9) . . . . ?
C35 C26 O65 C110 6.9(16) . . . . ?
C35 C26 C75 C56 0.3(16) . . . . ?
C35 C68 C73 C19 179.5(8) . . . . ?
C35 C68 C73 C56 -1.4(14) . . . . ?
C36 N12 C30 C28 179.1(8) . . . . ?
C36 N12 C30 C49 2.6(10) . . . . ?
C36 C14 C80 C77 53.2(15) . . . . ?
C36 C14 C80 C6 -123.8(11) . . . . ?
C36 C14 C80A C77A 57(3) . . . . ?
C36 C14 C80A C6A -120.1(19) . . . . ?
C111 C31 C34 N5 169.8(8) . . . . ?
C111 C31 C34 C70 -13.0(13) . . . . ?
C111 C31 C53 N8 -170.8(8) . . . . ?
C111 C31 C53 C38 9.4(13) . . . . ?
C111 C114 C113 C116 -2.1(16) . . . . ?
C39 C45 C7 C4 -178.2(11) . . . . ?
C40 C15 C25 N9 -177.6(8) . . . . ?
C40 C15 C25 C112 2.6(14) . . . . ?
C40 C15 C63 N10 178.8(8) . . . . ?
C40 C15 C63 C62 -2.8(14) . . . . ?
C40 C58 C11 C94 1.1(17) . . . . ?
C43 C48 C67 C21 96.4(12) . . . . ?
C43 C48 C67 C85 -84.2(12) . . . . ?
C43 C48 C86 C64 0.0(16) . . . . ?
C43 C48 C86 C81 -176.9(11) . . . . ?
C43 C55 C5 C64 3.1(17) . . . . ?
C43 C55 C5 C10 -177.3(10) . . . . ?
C45 N11 C85 C67 177.1(10) . . . . ?
C45 N11 C85 C4 -2.1(12) . . . . ?
C45 C39 C51 N7 2.6(17) . . . . ?
C45 C39 C51 C41 -173.3(11) . . . . ?
C115 C24 C66 N10 -178.7(8) . . . . ?
C115 C24 C66 C54 -3.5(13) . . . . ?
C115 C117 C116 C113 -0.6(16) . . . . ?
C48 C43 C55 C5 -4.2(17) . . . . ?
C48 C67 C85 N11 179.5(9) . . . . ?
C48 C67 C85 C4 -1.4(15) . . . . ?
C50 C21 C67 C48 3.9(14) . . . . ?
C50 C21 C67 C85 -175.5(9) . . . . ?
C50 C38 C53 N8 -0.1(11) . . . . ?
C50 C38 C53 C31 179.7(9) . . . . ?
C51 N7 C20 C19 -179.0(9) . . . . ?
C51 N7 C20 C23 -2.2(10) . . . . ?
C51 C39 C45 N11 -4.4(18) . . . . ?
C51 C39 C45 C7 173.1(11) . . . . ?
C116 C117 C115 C24 175.6(9) . . . . ?
C116 C117 C115 C111 -0.7(15) . . . . ?
C53 N8 C21 C50 1.9(9) . . . . ?
C53 N8 C21 C67 -175.4(9) . . . . ?
C53 C31 C34 N5 -10.7(14) . . . . ?
C53 C31 C34 C70 166.5(9) . . . . ?
C53 C31 C111 C114 -66.3(12) . . . . ?
C53 C31 C111 C115 109.0(10) . . . . ?
C53 C38 C50 C21 1.3(11) . . . . ?
C54 C62 C63 N10 2.1(11) . . . . ?
C54 C62 C63 C15 -176.5(9) . . . . ?
C55 C43 C48 C67 -178.9(9) . . . . ?
C55 C43 C48 C86 2.5(15) . . . . ?
C58 C40 C71 C44 -179.8(10) . . . . ?
C58 C40 C71 C69 -2.0(15) . . . . ?
C113 C114 C111 C31 176.3(9) . . . . ?
C113 C114 C111 C115 0.9(15) . . . . ?
C62 C54 C66 N10 1.4(11) . . . . ?
C62 C54 C66 C24 -174.4(9) . . . . ?
C63 N10 C66 C24 175.7(8) . . . . ?
C63 N10 C66 C54 -0.1(10) . . . . ?
C63 C15 C25 N9 5.0(15) . . . . ?
C63 C15 C25 C112 -174.8(9) . . . . ?
C63 C15 C40 C58 71.3(13) . . . . ?
C63 C15 C40 C71 -108.4(11) . . . . ?
O65 C26 C35 C68 177.8(9) . . . . ?
O65 C26 C75 C56 -178.3(9) . . . . ?
C66 N10 C63 C15 177.4(9) . . . . ?
C66 N10 C63 C62 -1.2(10) . . . . ?
C66 C24 C115 C117 -67.8(11) . . . . ?
C66 C24 C115 C111 108.3(10) . . . . ?
C66 C54 C62 C63 -2.1(11) . . . . ?
C67 C21 C50 C38 175.4(9) . . . . ?
C67 C48 C86 C64 -178.6(9) . . . . ?
C67 C48 C86 C81 4.5(16) . . . . ?
C67 C85 C4 C7 -177.3(11) . . . . ?
C69 C94 C11 C58 -3.8(17) . . . . ?
C70 C17 C27 N5 2.0(11) . . . . ?
C70 C17 C27 C19 -175.8(9) . . . . ?
C71 C40 C58 C90 -176.3(11) . . . . ?
C71 C40 C58 C11 1.8(16) . . . . ?
C71 C69 C94 C11 3.6(16) . . . . ?
C71 C69 C94 C1 179.5(10) . . . . ?
C73 C19 C20 N7 -174.5(8) . . . . ?
C73 C19 C20 C23 9.3(14) . . . . ?
C73 C19 C27 N5 175.9(8) . . . . ?
C73 C19 C27 C17 -6.7(14) . . . . ?
C73 C56 C75 C26 -0.5(16) . . . . ?
C75 C26 C35 C68 -0.7(16) . . . . ?
C75 C26 O65 C110 -174.5(10) . . . . ?
C75 C56 C73 C19 -179.9(9) . . . . ?
C75 C56 C73 C68 1.1(15) . . . . ?
C78 N9 C25 C15 -178.3(9) . . . . ?
C78 N9 C25 C112 1.6(10) . . . . ?
C78 C28 C30 N12 -5.3(16) . . . . ?
C78 C28 C30 C49 170.6(9) . . . . ?
C80 C14 C36 N12 -169.4(10) . . . . ?
C80 C14 C36 C74 9.6(15) . . . . ?
C80 C77 C2 C87 0.0 . . . . ?
C77 C80 C6 C12 0.0 . . . . ?
C77 C2 C87 C12 0.0 . . . . ?
C77 C2 C87 O7 178.2(14) . . . . ?
C2 C87 C12 C6 0.0 . . . . ?
C2 C87 O7 C3 177.9(14) . . . . ?
C87 C12 C6 C80 0.0 . . . . ?
C12 C87 O7 C3 -4(2) . . . . ?
C6 C80 C77 C2 0.0 . . . . ?
C85 N11 C45 C39 179.4(10) . . . . ?
C85 N11 C45 C7 1.6(12) . . . . ?
C85 C4 C7 C45 -1.0(14) . . . . ?
C86 C48 C67 C21 -85.1(12) . . . . ?
C86 C48 C67 C85 94.3(12) . . . . ?
C86 C64 C5 C55 -0.4(17) . . . . ?
C86 C64 C5 C10 -180.0(10) . . . . ?
C90 C58 C11 C94 179.4(11) . . . . ?
C94 C69 C71 C40 -0.7(16) . . . . ?
C94 C69 C71 C44 177.1(10) . . . . ?
C100 C43 C48 C67 -0.6(16) . . . . ?
C100 C43 C48 C86 -179.2(11) . . . . ?
C100 C43 C55 C5 177.5(11) . . . . ?
C104 C13 C14 C36 -173.4(9) . . . . ?
C104 C13 C14 C80 -1.7(15) . . . . ?
C104 C13 C14 C80A 8.0(19) . . . . ?
C5 C64 C86 C48 -1.1(17) . . . . ?
C5 C64 C86 C81 175.9(11) . . . . ?
O7 C87 C12 C6 -177.9(16) . . . . ?
C1 C94 C11 C58 -179.5(11) . . . . ?
O7A C87A C12A C6A -175(4) . . . . ?
C3A O7A C87A C2A 159(3) . . . . ?
C3A O7A C87A C12A -26(5) . . . . ?
C80A C14 C36 N12 -178.9(17) . . . . ?
C80A C14 C36 C74 0(2) . . . . ?
C80A C77A C2A C87A 0.0 . . . . ?
C77A C80A C6A C12A 0.0 . . . . ?
C77A C2A C87A O7A 176(3) . . . . ?
C77A C2A C87A C12A 0.0 . . . . ?
C2A C87A C12A C6A 0.0 . . . . ?
C87A C12A C6A C80A 0.0 . . . . ?
C6A C80A C77A C2A 0.0 . . . . ?

_olex2_exptl_crystal_mounting_method fiber
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.373
_oxdiff_exptl_absorpt_empirical_full_min 0.760
