# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_1a
_database_code_depnum_ccdc_archive 'CCDC 1975085'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2020-01-02 deposited with the CCDC.	2020-02-27 downloaded from the CCDC.
;
_audit_creation_date             2019-12-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C84 H64 Cu2 F12 P6 Pt, 2(Cl O4), 2(C H2 Cl2)'
_chemical_formula_sum            'C86 H68 Cl6 Cu2 F12 O8 P6 Pt'
_chemical_formula_weight         2178.09
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.3395(5)
_cell_length_b                   18.6529(6)
_cell_length_c                   15.6094(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.0800(10)
_cell_angle_gamma                90
_cell_volume                     4466.3(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9855
_cell_measurement_temperature    100
_cell_measurement_theta_max      25.37
_cell_measurement_theta_min      2.87
_shelx_estimated_absorpt_T_max   0.762
_shelx_estimated_absorpt_T_min   0.715
_exptl_absorpt_coefficient_mu    2.400
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6186
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1060 before and 0.0429 after correction.
The Ratio of minimum to maximum transmission is 0.8301.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic yellowish yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2168
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            32627
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.371
_diffrn_reflns_theta_min         2.829
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7371
_reflns_number_total             8170
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.743
_refine_diff_density_min         -1.440
_refine_diff_density_rms         0.115
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     630
_refine_ls_number_reflns         8170
_refine_ls_number_restraints     257
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0373
_refine_ls_restrained_S_all      1.218
_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)+(0.0487P)²+17.1341P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0961
_refine_ls_wR_factor_ref         0.1005
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C25-C26 = C26-C27 = C27-C28 = C28-C29 = C29-C30 = C30-C25
 1.38 with sigma of 0.01
 C25-C27 = C27-C29 = C29-C25 = C26-C28 = C28-C30 = C30-C26
 2.4 with sigma of 0.01
 C1AA-C2AA = C2AA-C3AA = C3AA-C4AA = C5AA-C6AA = C6AA-C1AA
 1.38 with sigma of 0.01
 C01-Cl01 = C01-Cl02 = C01'-Cl1' = C01'-Cl2'
 1.765 with sigma of 0.008
 C1AA-C3AA = C3AA-C5AA = C5AA-C1AA
 2.4 with sigma of 0.01
 C2AA-C4AA = C4AA-C6AA = C6AA-C2AA
 2.4 with sigma of 0.01
 Cl01-Cl02 = Cl1'-Cl2'
 2.95 with sigma of 0.01
3. Restrained planarity
 C25, C30, C29, C28, C27, C26
 with sigma of 0.01
 C1AA, C6AA, C5AA, C4AA, C3AA, C2AA
 with sigma of 0.01
4. Rigid bond restraints
 C25, C30, C29, C28, C27, C26
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.001
 C1AA, C2AA, C3AA, C4AA, C5AA, C6AA
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.001
 C01, Cl01, Cl02
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C01', Cl1', Cl2'
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 F4, F5, F6, C42
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Uiso/Uaniso restraints and constraints
C25 \\sim C30 \\sim C29 \\sim C28 \\sim C27 \\sim C26: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
C1AA \\sim C2AA \\sim C3AA \\sim C4AA \\sim C5AA \\sim C6AA: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C01 \\sim Cl01 \\sim Cl02: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C01' \\sim Cl1' \\sim Cl2': within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
F4 \\sim F5 \\sim F6 \\sim C42: within 2A with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(C25) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C28)
\\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C26) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C1AA) \\sim Ueq, Uanis(C2AA) \\sim Ueq, Uanis(C3AA) \\sim Ueq,
Uanis(C4AA) \\sim Ueq, Uanis(C5AA) \\sim Ueq, Uanis(C6AA) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
6. Others
 Sof(C1AA)=Sof(C2AA)=Sof(H2AA)=Sof(C3AA)=Sof(H3AA)=Sof(C4AA)=Sof(H4AA)=
 Sof(C5AA)=Sof(H5AA)=Sof(C6AA)=Sof(H6AA)=1-FVAR(1)
 Sof(C25)=Sof(C26)=Sof(H26)=Sof(C27)=Sof(H27)=Sof(C28)=Sof(H28)=Sof(C29)=
 Sof(H29)=Sof(C30)=Sof(H30)=FVAR(1)
 Sof(C01')=Sof(H01C)=Sof(H01D)=Sof(Cl1')=Sof(Cl2')=1-FVAR(2)
 Sof(C01)=Sof(H01A)=Sof(H01B)=Sof(Cl02)=Sof(Cl01)=FVAR(2)
7.a Secondary CH2 refined with riding coordinates:
 C32(H32A,H32B), C31(H31A,H31B), C01(H01A,H01B), C01'(H01C,H01D)
7.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C15(H15), C14(H14), C36(H36), C2(H2), C16(H16), C5(H5), C17(H17),
 C12(H12), C8(H8), C22(H22), C24(H24), C18(H18), C20(H20), C4(H4), C39(H39),
 C37(H37), C10(H10), C21(H21), C23(H23), C11(H11), C3(H3), C9(H9), C26(H26),
 C27(H27), C28(H28), C29(H29), C30(H30), C2AA(H2AA), C3AA(H3AA), C4AA(H4AA),
 C5AA(H5AA), C6AA(H6AA)
;
_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
Pt1 Pt 0.500000 0.500000 0.500000 0.01441(8) Uani 1 2 d S T P . .
Cu1 Cu 0.35002(3) 0.58077(3) 0.51094(3) 0.02709(13) Uani 1 1 d . . . . .
Cl1 Cl 0.75508(8) 0.79140(7) 0.47259(8) 0.0423(3) Uani 1 1 d . . . . .
P2 P 0.57786(6) 0.58724(6) 0.42969(6) 0.0178(2) Uani 1 1 d . . . . .
P3 P 0.43661(7) 0.67609(6) 0.52561(6) 0.0217(2) Uani 1 1 d . . . . .
P1 P 0.74546(7) 0.50435(7) 0.45074(7) 0.0306(3) Uani 1 1 d . . . . .
F2 F 0.3044(2) 0.66987(15) 0.33639(17) 0.0432(7) Uani 1 1 d . . . . .
F1 F 0.40064(18) 0.64378(17) 0.24201(19) 0.0429(7) Uani 1 1 d . . . . .
F3 F 0.2855(2) 0.70096(15) 0.20501(19) 0.0456(8) Uani 1 1 d . . . . .
F5 F 0.0437(2) 0.45336(19) 0.0913(2) 0.0504(6) Uani 1 1 d . U . . .
C33 C 0.4082(3) 0.5107(2) 0.4091(3) 0.0200(8) Uani 1 1 d . . . . .
C34 C 0.3544(3) 0.5163(2) 0.3519(3) 0.0209(8) Uani 1 1 d . . . . .
C1 C 0.3933(3) 0.7663(2) 0.5128(2) 0.0245(9) Uani 1 1 d . . . . .
O3 O 0.6673(3) 0.8165(3) 0.4822(3) 0.0614(12) Uani 1 1 d . . . . .
C35 C 0.2897(3) 0.5168(2) 0.2853(3) 0.0206(8) Uani 1 1 d . . . . .
O2 O 0.7715(3) 0.7429(2) 0.5420(3) 0.0569(11) Uani 1 1 d . . . . .
C6 C 0.4445(3) 0.8265(2) 0.5288(3) 0.0270(9) Uani 1 1 d . . . . .
H6 H 0.503256 0.820848 0.546942 0.032 Uiso 1 1 calc R . . . .
C15 C 0.5786(3) 0.5144(3) 0.1826(3) 0.0294(10) Uani 1 1 d . . . . .
H15 H 0.561703 0.472578 0.152033 0.035 Uiso 1 1 calc R . . . .
C14 C 0.5644(3) 0.5186(2) 0.2701(3) 0.0253(9) Uani 1 1 d . . . . .
H14 H 0.538468 0.479580 0.299696 0.030 Uiso 1 1 calc R . . . .
C36 C 0.2448(3) 0.4534(2) 0.2676(3) 0.0248(9) Uani 1 1 d . . . . .
H36 H 0.257664 0.411465 0.299862 0.030 Uiso 1 1 calc R . . . .
C19 C 0.8378(3) 0.5103(3) 0.5232(3) 0.0300(10) Uani 1 1 d . . . . .
C13 C 0.5882(3) 0.5805(2) 0.3144(2) 0.0199(8) Uani 1 1 d . . . . .
C2 C 0.3067(3) 0.7755(2) 0.4875(3) 0.0284(9) Uani 1 1 d . . . . .
H2 H 0.270806 0.734818 0.477963 0.034 Uiso 1 1 calc R . . . .
C16 C 0.6175(3) 0.5711(2) 0.1394(3) 0.0280(9) Uani 1 1 d . . . . .
H16 H 0.627682 0.567715 0.079531 0.034 Uiso 1 1 calc R . . . .
C5 C 0.4102(3) 0.8944(2) 0.5186(3) 0.0297(10) Uani 1 1 d . . . . .
H5 H 0.445300 0.935302 0.529982 0.036 Uiso 1 1 calc R . . . .
C17 C 0.6411(3) 0.6319(2) 0.1829(3) 0.0283(9) Uani 1 1 d . . . . .
H17 H 0.667512 0.670635 0.153134 0.034 Uiso 1 1 calc R . . . .
C7 C 0.4844(3) 0.6770(2) 0.6322(2) 0.0215(8) Uani 1 1 d . . . . .
C40 C 0.2687(3) 0.5784(2) 0.2378(2) 0.0228(9) Uani 1 1 d . . . . .
C12 C 0.4264(3) 0.6692(2) 0.7002(3) 0.0292(10) Uani 1 1 d . . . . .
H12 H 0.365907 0.663680 0.689050 0.035 Uiso 1 1 calc R . . . .
C8 C 0.5731(3) 0.6857(2) 0.6487(3) 0.0269(9) Uani 1 1 d . . . . .
H8 H 0.613053 0.692157 0.602936 0.032 Uiso 1 1 calc R . . . .
C22 C 0.9768(3) 0.5133(3) 0.6378(3) 0.0361(12) Uani 1 1 d . . . . .
H22 H 1.023878 0.514773 0.677381 0.043 Uiso 1 1 calc R . . . .
C24 C 0.8804(4) 0.5735(4) 0.5404(4) 0.0559(18) Uani 1 1 d . . . . .
H24 H 0.862172 0.616611 0.513441 0.067 Uiso 1 1 calc R . . . .
C32 C 0.5274(3) 0.6756(2) 0.4485(3) 0.0269(9) Uani 1 1 d . . . . .
H32A H 0.573027 0.708880 0.469363 0.032 Uiso 1 1 calc R . . . .
H32B H 0.505845 0.694359 0.393092 0.032 Uiso 1 1 calc R . . . .
F4 F 0.0383(3) 0.5658(2) 0.0969(3) 0.0721(8) Uani 1 1 d . U . . .
C18 C 0.6266(3) 0.6370(2) 0.2708(3) 0.0254(9) Uani 1 1 d . . . . .
H18 H 0.642926 0.679175 0.300812 0.030 Uiso 1 1 calc R . . . .
C20 C 0.8653(3) 0.4479(3) 0.5641(3) 0.0408(12) Uani 1 1 d . . . . .
H20 H 0.836219 0.403918 0.552961 0.049 Uiso 1 1 calc R . . . .
C4 C 0.3248(3) 0.9032(3) 0.4918(3) 0.0330(11) Uani 1 1 d . . . . .
H4 H 0.301724 0.950000 0.483865 0.040 Uiso 1 1 calc R . . . .
C31 C 0.6914(3) 0.5919(2) 0.4654(3) 0.0264(9) Uani 1 1 d . . . . .
H31A H 0.693452 0.605710 0.526590 0.032 Uiso 1 1 calc R . . . .
H31B H 0.722669 0.629026 0.432043 0.032 Uiso 1 1 calc R . . . .
C39 C 0.2040(3) 0.5757(2) 0.1755(3) 0.0240(9) Uani 1 1 d . . . . .
H39 H 0.188977 0.617693 0.144455 0.029 Uiso 1 1 calc R . . . .
C37 C 0.1820(3) 0.4503(3) 0.2042(3) 0.0278(9) Uani 1 1 d . . . . .
H37 H 0.153045 0.406435 0.192006 0.033 Uiso 1 1 calc R . . . .
C10 C 0.5448(4) 0.6759(2) 0.8002(3) 0.0370(12) Uani 1 1 d . . . . .
H10 H 0.565730 0.674325 0.857473 0.044 Uiso 1 1 calc R . . . .
C21 C 0.9348(3) 0.4495(3) 0.6210(4) 0.0450(13) Uani 1 1 d . . . . .
H21 H 0.953476 0.406600 0.648357 0.054 Uiso 1 1 calc R . . . .
C23 C 0.9502(4) 0.5744(4) 0.5973(4) 0.0574(18) Uani 1 1 d . . . . .
H23 H 0.979876 0.618143 0.608082 0.069 Uiso 1 1 calc R . . . .
C11 C 0.4565(4) 0.6695(2) 0.7841(3) 0.0344(11) Uani 1 1 d . . . . .
H11 H 0.416522 0.665213 0.830219 0.041 Uiso 1 1 calc R . . . .
C3 C 0.2730(3) 0.8436(3) 0.4764(3) 0.0311(10) Uani 1 1 d . . . . .
H3 H 0.214301 0.849601 0.458221 0.037 Uiso 1 1 calc R . . . .
C38 C 0.1616(3) 0.5119(3) 0.1586(3) 0.0267(9) Uani 1 1 d . . . . .
O1 O 0.7602(3) 0.7536(3) 0.3923(3) 0.0722(14) Uani 1 1 d . . . . .
F6 F 0.1274(3) 0.5122(3) 0.0129(3) 0.0821(8) Uani 1 1 d . U . . .
C41 C 0.3150(3) 0.6476(3) 0.2548(3) 0.0324(10) Uani 1 1 d . . . . .
C9 C 0.6025(3) 0.6847(3) 0.7333(3) 0.0345(11) Uani 1 1 d . . . . .
H9 H 0.662967 0.690128 0.744933 0.041 Uiso 1 1 calc R . . . .
O4 O 0.8155(5) 0.8475(4) 0.4755(4) 0.132(3) Uani 1 1 d . . . . .
C42 C 0.0939(4) 0.5103(3) 0.0898(4) 0.0518(7) Uani 1 1 d . U . . .
C25 C 0.7885(4) 0.4883(3) 0.3449(4) 0.0207(15) Uani 0.558(7) 1 d D U . A 1
C26 C 0.8083(4) 0.5452(3) 0.2913(4) 0.0278(16) Uani 0.558(7) 1 d D U . A 1
H26 H 0.799581 0.593091 0.309937 0.033 Uiso 0.558(7) 1 calc R . . A 1
C27 C 0.8410(5) 0.5314(4) 0.2098(4) 0.0359(18) Uani 0.558(7) 1 d D U . A 1
H27 H 0.854051 0.570040 0.172222 0.043 Uiso 0.558(7) 1 calc R . . A 1
C28 C 0.8543(5) 0.4616(4) 0.1836(4) 0.0356(18) Uani 0.558(7) 1 d D U . A 1
H28 H 0.877218 0.452498 0.128156 0.043 Uiso 0.558(7) 1 calc R . . A 1
C29 C 0.8350(4) 0.4049(4) 0.2368(4) 0.0334(17) Uani 0.558(7) 1 d D U . A 1
H29 H 0.844202 0.356986 0.218187 0.040 Uiso 0.558(7) 1 calc R . . A 1
C30 C 0.8019(4) 0.4184(3) 0.3180(4) 0.0281(16) Uani 0.558(7) 1 d D U . A 1
H30 H 0.788313 0.379672 0.355203 0.034 Uiso 0.558(7) 1 calc R . . A 1
C1AA C 0.7961(5) 0.5309(5) 0.3417(5) 0.028(2) Uani 0.442(7) 1 d D U . A 2
C2AA C 0.7876(5) 0.4791(5) 0.2789(5) 0.034(2) Uani 0.442(7) 1 d D U . A 2
H2AA H 0.757598 0.435703 0.290973 0.041 Uiso 0.442(7) 1 calc R . . A 2
C3AA C 0.8230(6) 0.4906(5) 0.1981(5) 0.040(2) Uani 0.442(7) 1 d D U . A 2
H3AA H 0.817479 0.454866 0.155024 0.049 Uiso 0.442(7) 1 calc R . . A 2
C4AA C 0.8663(6) 0.5537(5) 0.1804(6) 0.042(2) Uani 0.442(7) 1 d D U . A 2
H4AA H 0.890106 0.561571 0.125073 0.051 Uiso 0.442(7) 1 calc R . . A 2
C5AA C 0.8749(5) 0.6054(5) 0.2428(5) 0.039(2) Uani 0.442(7) 1 d D U . A 2
H5AA H 0.904937 0.648791 0.230574 0.047 Uiso 0.442(7) 1 calc R . . A 2
C6AA C 0.8398(5) 0.5943(4) 0.3238(5) 0.033(2) Uani 0.442(7) 1 d D U . A 2
H6AA H 0.845689 0.629946 0.366882 0.040 Uiso 0.442(7) 1 calc R . . A 2
C01 C 1.0595(6) 0.2295(12) 0.3594(8) 0.046(4) Uani 0.255(5) 1 d D U . B 1
H01A H 1.065795 0.179887 0.381047 0.055 Uiso 0.255(5) 1 calc R . . B 1
H01B H 1.076439 0.262766 0.405937 0.055 Uiso 0.255(5) 1 calc R . . B 1
Cl02 Cl 0.9501(4) 0.2450(4) 0.3306(5) 0.064(2) Uani 0.255(5) 1 d D U . B 1
Cl01 Cl 1.1293(4) 0.2421(3) 0.2709(4) 0.0539(19) Uani 0.255(5) 1 d D U . B 1
C01' C 1.0067(6) 0.2241(8) 0.4897(6) 0.192(5) Uani 0.745(5) 1 d D U . B 2
H01C H 1.023609 0.173005 0.486450 0.230 Uiso 0.745(5) 1 calc R . . B 2
H01D H 1.059506 0.253797 0.481339 0.230 Uiso 0.745(5) 1 calc R . . B 2
Cl1' Cl 0.9287(3) 0.2440(2) 0.4104(6) 0.224(3) Uani 0.745(5) 1 d D U . B 2
Cl2' Cl 0.9598(3) 0.2427(3) 0.5897(6) 0.249(4) Uani 0.745(5) 1 d D U . B 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 Cu1 2.7556(5) 3_666 ?
Pt1 Cu1 2.7556(5) . ?
Pt1 P2 2.2983(10) . ?
Pt1 P2 2.2984(10) 3_666 ?
Pt1 C33 2.008(4) . ?
Pt1 C33 2.008(4) 3_666 ?
Cu1 P3 2.2309(12) . ?
Cu1 P1 2.2419(14) 3_666 ?
Cu1 C33 2.244(4) . ?
Cl1 O3 1.434(5) . ?
Cl1 O2 1.434(4) . ?
Cl1 O1 1.439(5) . ?
Cl1 O4 1.398(5) . ?
P2 C13 1.811(4) . ?
P2 C32 1.844(4) . ?
P2 C31 1.830(4) . ?
P3 C1 1.820(4) . ?
P3 C7 1.818(4) . ?
P3 C32 1.842(5) . ?
P1 C19 1.815(5) . ?
P1 C31 1.846(5) . ?
P1 C25 1.806(6) . ?
P1 C1AA 1.937(8) . ?
F2 C41 1.350(5) . ?
F1 C41 1.332(6) . ?
F3 C41 1.341(5) . ?
F5 C42 1.312(7) . ?
C33 C34 1.218(6) . ?
C34 C35 1.436(6) . ?
C1 C6 1.394(6) . ?
C1 C2 1.395(6) . ?
C35 C36 1.397(6) . ?
C35 C40 1.405(6) . ?
C6 C5 1.381(6) . ?
C15 C14 1.386(6) . ?
C15 C16 1.389(7) . ?
C14 C13 1.394(6) . ?
C36 C37 1.381(6) . ?
C19 C24 1.375(8) . ?
C19 C20 1.392(7) . ?
C13 C18 1.386(6) . ?
C2 C3 1.382(6) . ?
C16 C17 1.371(6) . ?
C5 C4 1.384(7) . ?
C17 C18 1.393(6) . ?
C7 C12 1.393(6) . ?
C7 C8 1.394(6) . ?
C40 C39 1.389(6) . ?
C40 C41 1.496(6) . ?
C12 C11 1.387(6) . ?
C8 C9 1.394(6) . ?
C22 C21 1.379(8) . ?
C22 C23 1.365(8) . ?
C24 C23 1.389(7) . ?
F4 C42 1.346(8) . ?
C20 C21 1.387(7) . ?
C4 C3 1.387(7) . ?
C39 C38 1.381(6) . ?
C37 C38 1.388(7) . ?
C10 C11 1.383(8) . ?
C10 C9 1.381(8) . ?
C38 C42 1.492(7) . ?
F6 C42 1.307(8) . ?
C25 C26 1.385(7) . ?
C25 C30 1.384(7) . ?
C26 C27 1.392(7) . ?
C27 C28 1.381(8) . ?
C28 C29 1.377(7) . ?
C29 C30 1.390(7) . ?
C1AA C2AA 1.383(8) . ?
C1AA C6AA 1.386(8) . ?
C2AA C3AA 1.391(8) . ?
C3AA C4AA 1.380(8) . ?
C4AA C5AA 1.377(12) . ?
C5AA C6AA 1.391(8) . ?
C01 Cl02 1.761(8) . ?
C01 Cl01 1.764(8) . ?
C01' Cl1' 1.760(7) . ?
C01' Cl2' 1.753(8) . ?

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
Cu1 Pt1 Cu1 180.0 . 3_666 ?
P2 Pt1 Cu1 94.41(3) . . ?
P2 Pt1 Cu1 85.59(3) . 3_666 ?
P2 Pt1 Cu1 94.41(3) 3_666 3_666 ?
P2 Pt1 Cu1 85.59(3) 3_666 . ?
P2 Pt1 P2 180.0 . 3_666 ?
C33 Pt1 Cu1 126.55(12) . 3_666 ?
C33 Pt1 Cu1 126.55(12) 3_666 . ?
C33 Pt1 Cu1 53.45(12) 3_666 3_666 ?
C33 Pt1 Cu1 53.45(12) . . ?
C33 Pt1 P2 92.50(12) . 3_666 ?
C33 Pt1 P2 87.50(12) . . ?
C33 Pt1 P2 87.50(12) 3_666 3_666 ?
C33 Pt1 P2 92.50(12) 3_666 . ?
C33 Pt1 C33 180.0 3_666 . ?
P3 Cu1 Pt1 86.85(3) . . ?
P3 Cu1 P1 157.84(5) . 3_666 ?
P3 Cu1 C33 107.43(11) . . ?
P1 Cu1 Pt1 100.09(4) 3_666 . ?
P1 Cu1 C33 92.13(11) 3_666 . ?
C33 Cu1 Pt1 45.97(11) . . ?
O3 Cl1 O1 107.6(3) . . ?
O2 Cl1 O3 106.9(3) . . ?
O2 Cl1 O1 109.8(3) . . ?
O4 Cl1 O3 112.0(5) . . ?
O4 Cl1 O2 109.4(3) . . ?
O4 Cl1 O1 111.0(4) . . ?
C13 P2 Pt1 118.13(14) . . ?
C13 P2 C32 104.95(19) . . ?
C13 P2 C31 102.77(19) . . ?
C32 P2 Pt1 109.77(14) . . ?
C31 P2 Pt1 112.55(14) . . ?
C31 P2 C32 107.9(2) . . ?
C1 P3 Cu1 120.55(15) . . ?
C1 P3 C32 102.1(2) . . ?
C7 P3 Cu1 109.94(14) . . ?
C7 P3 C1 103.80(18) . . ?
C7 P3 C32 107.1(2) . . ?
C32 P3 Cu1 112.31(14) . . ?
C19 P1 Cu1 112.72(16) . 3_666 ?
C19 P1 C31 102.7(2) . . ?
C19 P1 C1AA 102.6(3) . . ?
C31 P1 Cu1 107.45(14) . 3_666 ?
C31 P1 C1AA 93.6(3) . . ?
C25 P1 Cu1 111.5(2) . 3_666 ?
C25 P1 C19 107.1(2) . . ?
C25 P1 C31 115.1(2) . . ?
Pt1 C33 Cu1 80.58(14) . . ?
C34 C33 Pt1 177.8(4) . . ?
C34 C33 Cu1 101.5(3) . . ?
C33 C34 C35 175.4(4) . . ?
C6 C1 P3 121.3(3) . . ?
C6 C1 C2 119.2(4) . . ?
C2 C1 P3 119.5(3) . . ?
C36 C35 C34 118.5(4) . . ?
C36 C35 C40 118.4(4) . . ?
C40 C35 C34 123.1(4) . . ?
C5 C6 C1 120.3(4) . . ?
C14 C15 C16 120.2(4) . . ?
C15 C14 C13 119.7(4) . . ?
C37 C36 C35 121.3(4) . . ?
C24 C19 P1 123.0(4) . . ?
C24 C19 C20 118.9(4) . . ?
C20 C19 P1 118.1(4) . . ?
C14 C13 P2 121.9(3) . . ?
C18 C13 P2 118.3(3) . . ?
C18 C13 C14 119.7(4) . . ?
C3 C2 C1 120.3(4) . . ?
C17 C16 C15 120.2(4) . . ?
C6 C5 C4 120.3(4) . . ?
C16 C17 C18 120.1(4) . . ?
C12 C7 P3 116.1(3) . . ?
C12 C7 C8 119.7(4) . . ?
C8 C7 P3 124.2(3) . . ?
C35 C40 C41 120.2(4) . . ?
C39 C40 C35 120.1(4) . . ?
C39 C40 C41 119.6(4) . . ?
C11 C12 C7 120.5(4) . . ?
C9 C8 C7 119.2(4) . . ?
C23 C22 C21 119.6(5) . . ?
C19 C24 C23 120.0(6) . . ?
P3 C32 P2 115.2(2) . . ?
C13 C18 C17 120.1(4) . . ?
C21 C20 C19 120.6(5) . . ?
C5 C4 C3 120.0(4) . . ?
P2 C31 P1 110.3(2) . . ?
C38 C39 C40 120.2(4) . . ?
C36 C37 C38 119.4(4) . . ?
C9 C10 C11 120.1(4) . . ?
C22 C21 C20 119.9(5) . . ?
C22 C23 C24 121.0(5) . . ?
C10 C11 C12 119.8(4) . . ?
C2 C3 C4 120.0(4) . . ?
C39 C38 C37 120.6(4) . . ?
C39 C38 C42 118.8(4) . . ?
C37 C38 C42 120.6(4) . . ?
F2 C41 C40 112.0(4) . . ?
F1 C41 F2 106.1(4) . . ?
F1 C41 F3 106.5(4) . . ?
F1 C41 C40 113.3(4) . . ?
F3 C41 F2 106.1(4) . . ?
F3 C41 C40 112.2(4) . . ?
C10 C9 C8 120.7(5) . . ?
F5 C42 F4 104.4(5) . . ?
F5 C42 C38 114.3(5) . . ?
F4 C42 C38 111.4(5) . . ?
F6 C42 F5 105.6(5) . . ?
F6 C42 F4 107.7(5) . . ?
F6 C42 C38 112.8(5) . . ?
C26 C25 P1 120.4(5) . . ?
C30 C25 P1 119.2(5) . . ?
C30 C25 C26 120.4(5) . . ?
C25 C26 C27 119.4(5) . . ?
C28 C27 C26 119.8(6) . . ?
C29 C28 C27 121.0(6) . . ?
C28 C29 C30 119.3(5) . . ?
C25 C30 C29 120.1(5) . . ?
C2AA C1AA P1 113.9(6) . . ?
C2AA C1AA C6AA 119.9(6) . . ?
C6AA C1AA P1 126.1(6) . . ?
C1AA C2AA C3AA 119.9(6) . . ?
C4AA C3AA C2AA 120.1(7) . . ?
C5AA C4AA C3AA 120.2(7) . . ?
C4AA C5AA C6AA 120.1(7) . . ?
C1AA C6AA C5AA 119.9(7) . . ?
Cl02 C01 Cl01 110.9(6) . . ?
Cl2' C01' Cl1' 107.8(6) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3a
_database_code_depnum_ccdc_archive 'CCDC 1975087'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2020-01-02 deposited with the CCDC.	2020-02-27 downloaded from the CCDC.
;
_audit_creation_date             2019-06-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C84 H76 Cu2 O4 P6 Pt, 2(Cl O4), 2(C H2 Cl2)'
_chemical_formula_sum            'C86 H80 Cl6 Cu2 O12 P6 Pt'
_chemical_formula_weight         2026.19
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Cu Cu 0.3201 1.2651 '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                   11.9251(13)
_cell_length_b                   13.5254(15)
_cell_length_c                   14.8460(17)
_cell_angle_alpha                96.813(4)
_cell_angle_beta                 108.607(4)
_cell_angle_gamma                108.918(4)
_cell_volume                     2079.9(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9948
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.58
_cell_measurement_theta_min      2.30
_shelx_estimated_absorpt_T_max   0.784
_shelx_estimated_absorpt_T_min   0.671
_exptl_absorpt_coefficient_mu    2.554
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.3106
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1465 before and 0.0874 after correction.
The Ratio of minimum to maximum transmission is 0.4167.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic orangish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0582
_diffrn_reflns_av_unetI/netI     0.0467
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            34547
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.583
_diffrn_reflns_theta_min         2.698
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8181
_reflns_number_total             8475
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.020
_refine_diff_density_min         -1.925
_refine_diff_density_rms         0.151
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     513
_refine_ls_number_reflns         8475
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0444
_refine_ls_restrained_S_all      1.069
_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)+(0.0517P)²+9.5986P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1129
_refine_ls_wR_factor_ref         0.1146
_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.a Secondary CH2 refined with riding coordinates:
 C01L(H01A,H01B), C41(H41A,H41B), C42(H42A,H42B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29),
 C30(H30), C34(H34), C35(H35), C37(H37)
2.c Idealised Me refined as rotating group:
 C39(H39A,H39B,H39C), C40(H40A,H40B,H40C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.000000 0.500000 0.500000 0.01247(8) Uani 1 2 d S T P . .
Cu1 Cu -0.03839(5) 0.56314(4) 0.66480(4) 0.01656(13) Uani 1 1 d . . . . .
Cl1 Cl 0.35705(13) 0.25771(10) 0.77464(10) 0.0304(3) Uani 1 1 d . . . . .
Cl2 Cl 0.7982(3) 0.8660(3) 0.85332(18) 0.1047(11) Uani 1 1 d . . . . .
Cl3 Cl 0.9856(3) 0.8377(3) 1.0160(3) 0.1203(14) Uani 1 1 d . . . . .
P1 P 0.15121(11) 0.34026(9) 0.39703(8) 0.0159(2) Uani 1 1 d . . . . .
P2 P 0.04212(10) 0.35954(9) 0.55833(8) 0.0133(2) Uani 1 1 d . . . . .
P3 P -0.00261(11) 0.43509(10) 0.74101(8) 0.0166(2) Uani 1 1 d . . . . .
O1 O 0.3800(3) 0.6195(3) 0.8476(2) 0.0246(7) Uani 1 1 d . . . . .
O2 O 0.6568(3) 0.9880(3) 0.9927(3) 0.0298(8) Uani 1 1 d . . . . .
O3 O 0.3012(4) 0.2774(4) 0.8445(3) 0.0482(12) Uani 1 1 d . . . . .
O4 O 0.4446(6) 0.3590(4) 0.7728(5) 0.0639(15) Uani 1 1 d . . . . .
O5 O 0.4226(5) 0.1882(4) 0.8033(4) 0.0532(13) Uani 1 1 d . . . . .
O6 O 0.2544(6) 0.2075(4) 0.6801(3) 0.0566(14) Uani 1 1 d . . . . .
C1 C 0.0926(5) 0.4853(4) 0.8721(3) 0.0241(10) Uani 1 1 d . . . . .
C2 C 0.1588(7) 0.4295(7) 0.9244(4) 0.054(2) Uani 1 1 d . . . . .
H2 H 0.154797 0.362706 0.892118 0.065 Uiso 1 1 calc R . . . .
C01L C 0.8503(9) 0.8688(10) 0.9776(7) 0.079(3) Uani 1 1 d . . . . .
H01A H 0.870101 0.941584 1.016049 0.094 Uiso 1 1 calc R . . . .
H01B H 0.780684 0.816497 0.990453 0.094 Uiso 1 1 calc R . . . .
C3 C 0.2311(8) 0.4722(9) 1.0244(5) 0.080(3) Uani 1 1 d . . . . .
H3 H 0.276698 0.434309 1.060230 0.096 Uiso 1 1 calc R . . . .
C4 C 0.2372(6) 0.5680(8) 1.0717(5) 0.062(2) Uani 1 1 d . . . . .
H4 H 0.289424 0.597971 1.139422 0.074 Uiso 1 1 calc R . . . .
C5 C 0.1675(8) 0.6203(6) 1.0209(5) 0.054(2) Uani 1 1 d . . . . .
H5 H 0.169566 0.685691 1.054241 0.065 Uiso 1 1 calc R . . . .
C6 C 0.0932(7) 0.5789(5) 0.9203(4) 0.0375(14) Uani 1 1 d . . . . .
H6 H 0.043800 0.615114 0.885861 0.045 Uiso 1 1 calc R . . . .
C7 C -0.1388(4) 0.3172(4) 0.7296(3) 0.0188(9) Uani 1 1 d . . . . .
C8 C -0.1277(5) 0.2235(4) 0.7543(4) 0.0258(10) Uani 1 1 d . . . . .
H8 H -0.046142 0.218522 0.776163 0.031 Uiso 1 1 calc R . . . .
C9 C -0.2359(6) 0.1368(5) 0.7472(4) 0.0333(12) Uani 1 1 d . . . . .
H9 H -0.227509 0.073310 0.764107 0.040 Uiso 1 1 calc R . . . .
C10 C -0.3549(5) 0.1432(5) 0.7156(4) 0.0318(12) Uani 1 1 d . . . . .
H10 H -0.427930 0.084289 0.711637 0.038 Uiso 1 1 calc R . . . .
C11 C -0.3684(5) 0.2353(5) 0.6895(4) 0.0294(11) Uani 1 1 d . . . . .
H11 H -0.450506 0.239219 0.666776 0.035 Uiso 1 1 calc R . . . .
C12 C -0.2608(5) 0.3215(4) 0.6971(4) 0.0242(10) Uani 1 1 d . . . . .
H12 H -0.269938 0.384699 0.679824 0.029 Uiso 1 1 calc R . . . .
C13 C -0.0889(4) 0.2294(4) 0.5120(3) 0.0163(9) Uani 1 1 d . . . . .
C14 C -0.0696(5) 0.1334(4) 0.4929(3) 0.0231(10) Uani 1 1 d . . . . .
H14 H 0.014318 0.136041 0.503670 0.028 Uiso 1 1 calc R . . . .
C15 C -0.1725(5) 0.0343(4) 0.4583(4) 0.0277(11) Uani 1 1 d . . . . .
H15 H -0.159495 -0.030091 0.442281 0.033 Uiso 1 1 calc R . . . .
C16 C -0.2950(5) 0.0296(5) 0.4473(4) 0.0311(12) Uani 1 1 d . . . . .
H16 H -0.364967 -0.038198 0.425572 0.037 Uiso 1 1 calc R . . . .
C17 C -0.3143(5) 0.1244(4) 0.4682(4) 0.0269(11) Uani 1 1 d . . . . .
H17 H -0.397355 0.121156 0.461918 0.032 Uiso 1 1 calc R . . . .
C18 C -0.2133(4) 0.2234(4) 0.4979(3) 0.0199(9) Uani 1 1 d . . . . .
H18 H -0.228217 0.287784 0.508992 0.024 Uiso 1 1 calc R . . . .
C19 C 0.0710(5) 0.1977(4) 0.3364(3) 0.0193(9) Uani 1 1 d . . . . .
C20 C -0.0504(5) 0.1598(4) 0.2613(4) 0.0243(10) Uani 1 1 d . . . . .
H20 H -0.088662 0.209171 0.240824 0.029 Uiso 1 1 calc R . . . .
C21 C -0.1154(5) 0.0501(4) 0.2163(4) 0.0295(11) Uani 1 1 d . . . . .
H21 H -0.198286 0.024942 0.165855 0.035 Uiso 1 1 calc R . . . .
C22 C -0.0607(6) -0.0224(5) 0.2444(4) 0.0307(11) Uani 1 1 d . . . . .
H22 H -0.105848 -0.097207 0.213632 0.037 Uiso 1 1 calc R . . . .
C23 C 0.0607(6) 0.0143(4) 0.3180(4) 0.0286(11) Uani 1 1 d . . . . .
H23 H 0.098677 -0.035461 0.337501 0.034 Uiso 1 1 calc R . . . .
C24 C 0.1266(5) 0.1234(4) 0.3630(4) 0.0252(10) Uani 1 1 d . . . . .
H24 H 0.210144 0.148081 0.412452 0.030 Uiso 1 1 calc R . . . .
C25 C 0.3114(5) 0.3696(4) 0.3967(4) 0.0211(9) Uani 1 1 d . . . . .
C26 C 0.4065(5) 0.3506(4) 0.4670(4) 0.0278(11) Uani 1 1 d . . . . .
H26 H 0.394094 0.331082 0.523480 0.033 Uiso 1 1 calc R . . . .
C27 C 0.5204(5) 0.3604(5) 0.4540(4) 0.0362(13) Uani 1 1 d . . . . .
H27 H 0.584927 0.346319 0.501243 0.043 Uiso 1 1 calc R . . . .
C28 C 0.5390(5) 0.3907(5) 0.3721(5) 0.0388(14) Uani 1 1 d . . . . .
H28 H 0.615593 0.395454 0.362806 0.047 Uiso 1 1 calc R . . . .
C29 C 0.4478(5) 0.4141(5) 0.3041(4) 0.0346(13) Uani 1 1 d . . . . .
H29 H 0.462744 0.437909 0.249721 0.042 Uiso 1 1 calc R . . . .
C30 C 0.3328(5) 0.4022(4) 0.3162(4) 0.0271(11) Uani 1 1 d . . . . .
H30 H 0.268601 0.416662 0.268907 0.033 Uiso 1 1 calc R . . . .
C31 C 0.1332(4) 0.6049(4) 0.6272(3) 0.0177(9) Uani 1 1 d . . . . .
C32 C 0.2220(4) 0.6703(4) 0.6969(3) 0.0152(8) Uani 1 1 d . . . . .
C33 C 0.3302(4) 0.7530(4) 0.7746(3) 0.0151(8) Uani 1 1 d . . . . .
C34 C 0.3592(5) 0.8617(4) 0.7738(3) 0.0202(9) Uani 1 1 d . . . . .
H34 H 0.303572 0.880023 0.723031 0.024 Uiso 1 1 calc R . . . .
C35 C 0.4671(5) 0.9437(4) 0.8452(3) 0.0216(9) Uani 1 1 d . . . . .
H35 H 0.485485 1.017038 0.843315 0.026 Uiso 1 1 calc R . . . .
C36 C 0.5472(5) 0.9158(4) 0.9192(3) 0.0227(10) Uani 1 1 d . . . . .
C37 C 0.5193(5) 0.8076(4) 0.9249(3) 0.0232(10) Uani 1 1 d . . . . .
H37 H 0.572631 0.790224 0.978005 0.028 Uiso 1 1 calc R . . . .
C38 C 0.4125(5) 0.7267(4) 0.8515(3) 0.0200(9) Uani 1 1 d . . . . .
C39 C 0.4594(6) 0.5896(5) 0.9261(4) 0.0383(14) Uani 1 1 d . . . . .
H39A H 0.428556 0.510745 0.913099 0.057 Uiso 1 1 calc GR . . . .
H39B H 0.455569 0.618788 0.988189 0.057 Uiso 1 1 calc GR . . . .
H39C H 0.548189 0.618751 0.930397 0.057 Uiso 1 1 calc GR . . . .
C40 C 0.6962(5) 1.0992(4) 0.9869(4) 0.0320(12) Uani 1 1 d . . . . .
H40A H 0.705121 1.103747 0.923952 0.048 Uiso 1 1 calc GR . . . .
H40B H 0.778673 1.142295 1.040625 0.048 Uiso 1 1 calc GR . . . .
H40C H 0.631596 1.127007 0.992109 0.048 Uiso 1 1 calc GR . . . .
C41 C 0.0991(4) 0.3852(4) 0.6920(3) 0.0153(8) Uani 1 1 d . . . . .
H41A H 0.188334 0.439253 0.721080 0.018 Uiso 1 1 calc R . . . .
H41B H 0.099478 0.317694 0.711374 0.018 Uiso 1 1 calc R . . . .
C42 C 0.1751(4) 0.3466(4) 0.5280(3) 0.0165(9) Uani 1 1 d . . . . .
H42A H 0.186181 0.280474 0.543746 0.020 Uiso 1 1 calc R . . . .
H42B H 0.254920 0.408953 0.569672 0.020 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cu1 2.7199(6) 2_566 ?
Pt1 Cu1 2.7199(6) . ?
Pt1 P2 2.3114(11) . ?
Pt1 P2 2.3114(11) 2_566 ?
Pt1 C31 2.023(5) 2_566 ?
Pt1 C31 2.023(5) . ?
Cu1 P1 2.2351(12) 2_566 ?
Cu1 P3 2.2578(13) . ?
Cu1 C31 2.207(4) . ?
Cl1 O3 1.442(5) . ?
Cl1 O4 1.438(5) . ?
Cl1 O5 1.427(4) . ?
Cl1 O6 1.438(5) . ?
Cl2 C01L 1.740(10) . ?
Cl3 C01L 1.736(9) . ?
P1 C19 1.812(5) . ?
P1 C25 1.822(5) . ?
P1 C42 1.860(4) . ?
P2 C13 1.804(5) . ?
P2 C41 1.828(4) . ?
P2 C42 1.834(4) . ?
P3 C1 1.821(5) . ?
P3 C7 1.814(5) . ?
P3 C41 1.854(4) . ?
O1 C38 1.362(6) . ?
O1 C39 1.441(6) . ?
O2 C36 1.364(6) . ?
O2 C40 1.445(7) . ?
C1 C2 1.390(8) . ?
C1 C6 1.375(7) . ?
C2 C3 1.393(9) . ?
C3 C4 1.366(13) . ?
C4 C5 1.367(12) . ?
C5 C6 1.401(9) . ?
C7 C8 1.396(7) . ?
C7 C12 1.402(7) . ?
C8 C9 1.396(8) . ?
C9 C10 1.380(8) . ?
C10 C11 1.391(8) . ?
C11 C12 1.388(8) . ?
C13 C14 1.402(6) . ?
C13 C18 1.405(6) . ?
C14 C15 1.390(8) . ?
C15 C16 1.395(8) . ?
C16 C17 1.392(8) . ?
C17 C18 1.383(7) . ?
C19 C20 1.398(7) . ?
C19 C24 1.402(7) . ?
C20 C21 1.392(7) . ?
C21 C22 1.378(8) . ?
C22 C23 1.390(8) . ?
C23 C24 1.386(7) . ?
C25 C26 1.392(7) . ?
C25 C30 1.391(7) . ?
C26 C27 1.397(7) . ?
C27 C28 1.389(9) . ?
C28 C29 1.379(9) . ?
C29 C30 1.401(7) . ?
C31 C32 1.204(7) . ?
C32 C33 1.433(6) . ?
C33 C34 1.400(6) . ?
C33 C38 1.414(6) . ?
C34 C35 1.391(7) . ?
C35 C36 1.387(7) . ?
C36 C37 1.411(7) . ?
C37 C38 1.391(7) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cu1 Pt1 Cu1 180.0 . 2_566 ?
P2 Pt1 Cu1 90.40(3) . 2_566 ?
P2 Pt1 Cu1 90.40(3) 2_566 . ?
P2 Pt1 Cu1 89.60(3) 2_566 2_566 ?
P2 Pt1 Cu1 89.60(3) . . ?
P2 Pt1 P2 180.0 2_566 . ?
C31 Pt1 Cu1 126.97(12) . 2_566 ?
C31 Pt1 Cu1 126.96(12) 2_566 . ?
C31 Pt1 Cu1 53.03(12) . . ?
C31 Pt1 Cu1 53.04(12) 2_566 2_566 ?
C31 Pt1 P2 89.70(13) 2_566 2_566 ?
C31 Pt1 P2 89.70(13) . . ?
C31 Pt1 P2 90.30(13) . 2_566 ?
C31 Pt1 P2 90.30(13) 2_566 . ?
C31 Pt1 C31 180.0 2_566 . ?
P1 Cu1 Pt1 96.44(3) 2_566 . ?
P1 Cu1 P3 154.77(5) 2_566 . ?
P3 Cu1 Pt1 98.79(3) . . ?
C31 Cu1 Pt1 47.07(12) . . ?
C31 Cu1 P1 109.12(12) . 2_566 ?
C31 Cu1 P3 95.97(12) . . ?
O4 Cl1 O3 108.9(3) . . ?
O4 Cl1 O6 110.2(3) . . ?
O5 Cl1 O3 108.9(3) . . ?
O5 Cl1 O4 110.5(3) . . ?
O5 Cl1 O6 110.6(3) . . ?
O6 Cl1 O3 107.6(3) . . ?
C19 P1 Cu1 112.91(16) . 2_566 ?
C19 P1 C25 101.9(2) . . ?
C19 P1 C42 104.7(2) . . ?
C25 P1 Cu1 120.74(16) . 2_566 ?
C25 P1 C42 103.6(2) . . ?
C42 P1 Cu1 111.32(14) . 2_566 ?
C13 P2 Pt1 116.43(15) . . ?
C13 P2 C41 105.7(2) . . ?
C13 P2 C42 108.1(2) . . ?
C41 P2 Pt1 113.27(15) . . ?
C41 P2 C42 104.9(2) . . ?
C42 P2 Pt1 107.76(15) . . ?
C1 P3 Cu1 114.22(18) . . ?
C1 P3 C41 103.6(2) . . ?
C7 P3 Cu1 118.82(16) . . ?
C7 P3 C1 105.1(2) . . ?
C7 P3 C41 106.6(2) . . ?
C41 P3 Cu1 107.23(15) . . ?
C38 O1 C39 117.5(4) . . ?
C36 O2 C40 116.8(4) . . ?
C2 C1 P3 121.9(4) . . ?
C6 C1 P3 118.1(4) . . ?
C6 C1 C2 119.9(5) . . ?
C1 C2 C3 119.5(7) . . ?
Cl3 C01L Cl2 112.0(5) . . ?
C4 C3 C2 120.8(8) . . ?
C3 C4 C5 119.5(6) . . ?
C4 C5 C6 121.0(6) . . ?
C1 C6 C5 119.2(6) . . ?
C8 C7 P3 123.2(4) . . ?
C8 C7 C12 118.3(5) . . ?
C12 C7 P3 118.4(4) . . ?
C7 C8 C9 120.4(5) . . ?
C10 C9 C8 120.3(5) . . ?
C9 C10 C11 120.3(5) . . ?
C12 C11 C10 119.4(5) . . ?
C11 C12 C7 121.3(5) . . ?
C14 C13 P2 122.0(4) . . ?
C14 C13 C18 118.8(4) . . ?
C18 C13 P2 119.2(3) . . ?
C15 C14 C13 120.5(5) . . ?
C14 C15 C16 120.0(5) . . ?
C17 C16 C15 119.8(5) . . ?
C18 C17 C16 120.3(5) . . ?
C17 C18 C13 120.5(5) . . ?
C20 C19 P1 119.5(4) . . ?
C20 C19 C24 118.6(5) . . ?
C24 C19 P1 121.9(4) . . ?
C21 C20 C19 120.3(5) . . ?
C22 C21 C20 120.6(5) . . ?
C21 C22 C23 119.8(5) . . ?
C24 C23 C22 120.2(5) . . ?
C23 C24 C19 120.6(5) . . ?
C26 C25 P1 123.2(4) . . ?
C30 C25 P1 116.9(4) . . ?
C30 C25 C26 119.6(4) . . ?
C25 C26 C27 119.8(5) . . ?
C28 C27 C26 119.9(5) . . ?
C29 C28 C27 120.9(5) . . ?
C28 C29 C30 119.1(5) . . ?
C25 C30 C29 120.7(5) . . ?
Pt1 C31 Cu1 79.89(16) . . ?
C32 C31 Pt1 172.2(4) . . ?
C32 C31 Cu1 107.7(3) . . ?
C31 C32 C33 175.4(5) . . ?
C34 C33 C32 120.4(4) . . ?
C34 C33 C38 118.5(4) . . ?
C38 C33 C32 121.0(4) . . ?
C35 C34 C33 122.0(4) . . ?
C36 C35 C34 118.4(5) . . ?
O2 C36 C35 124.3(5) . . ?
O2 C36 C37 114.1(4) . . ?
C35 C36 C37 121.5(5) . . ?
C38 C37 C36 119.0(4) . . ?
O1 C38 C33 115.8(4) . . ?
O1 C38 C37 123.8(4) . . ?
C37 C38 C33 120.4(4) . . ?
P2 C41 P3 111.9(2) . . ?
P2 C42 P1 113.6(2) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4a
_database_code_depnum_ccdc_archive 'CCDC 1975088'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2020-01-02 deposited with the CCDC.	2020-02-27 downloaded from the CCDC.
;
_audit_creation_date             2019-06-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C84 H78 Cu2 N2 P6 Pt, 2(Cl O4), 2(C H2 Cl2), O'
_chemical_formula_sum            'C86 H84 Cl6 Cu2 N2 O9 P6 Pt'
_chemical_formula_weight         2010.24
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Cu Cu 0.3201 1.2651 '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                   11.6903(9)
_cell_length_b                   14.2170(12)
_cell_length_c                   14.9644(13)
_cell_angle_alpha                63.819(3)
_cell_angle_beta                 77.097(3)
_cell_angle_gamma                89.338(3)
_cell_volume                     2164.8(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9735
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.37
_cell_measurement_theta_min      2.70
_shelx_estimated_absorpt_T_max   0.757
_shelx_estimated_absorpt_T_min   0.681
_exptl_absorpt_coefficient_mu    2.451
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic reddish red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1014
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   0.7452
_exptl_transmission_factor_min   0.5624
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_unetI/netI     0.0241
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            40198
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.367
_diffrn_reflns_theta_min         2.279
_diffrn_ambient_temperature      99.98
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7723
_reflns_number_total             7895
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.522
_refine_diff_density_min         -1.012
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         7895
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0251
_refine_ls_restrained_S_all      1.057
_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)+(0.0258P)²+3.7548P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0614
_refine_ls_wR_factor_ref         0.0626
_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
 C43-Cl2 = C43-Cl3 = C43'-Cl2' = C43'-Cl3'
 1.765 with sigma of 0.01
 Cl2-Cl3 = Cl2'-Cl3'
 2.95 with sigma of 0.01
3. Rigid bond restraints
 C43, Cl2, Cl3
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C43', Cl2', Cl3'
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C43 \\sim Cl2 \\sim Cl3: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C43' \\sim Cl2' \\sim Cl3': within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
5. Others
 Sof(C43')=Sof(H43C)=Sof(H43D)=Sof(Cl2')=Sof(Cl3')=1-FVAR(1)
 Sof(C43)=Sof(H43A)=Sof(H43B)=Sof(Cl2)=Sof(Cl3)=FVAR(1)
 Fixed Sof: O5(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C43(H43A,H43B), C43'(H43C,H43D)
6.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22),
  C23(H23), C24(H24), C25(H25), C26(H26), C28(H28), C29(H29), C30(H30),
 C31(H31), C32(H32), C36(H36), C37(H37), C39(H39), C40(H40)
6.c Idealised Me refined as rotating group:
 C41(H41A,H41B,H41C), C42(H42A,H42B,H42C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.500000 0.000000 0.500000 0.01393(5) Uani 1 2 d S T P . .
Cu1 Cu 0.57466(3) -0.09189(3) 0.67768(2) 0.02083(8) Uani 1 1 d . . . . .
P1 P 0.48353(7) 0.26231(6) 0.27708(6) 0.02235(15) Uani 1 1 d . . . . .
P2 P 0.56543(6) 0.16359(5) 0.47572(5) 0.01540(14) Uani 1 1 d . . . . .
P3 P 0.70343(6) 0.04396(6) 0.63851(5) 0.01826(14) Uani 1 1 d . . . . .
N1 N 0.0643(2) -0.1144(2) 1.1121(2) 0.0311(6) Uani 1 1 d . . . . .
C1 C 0.7060(2) 0.1545(2) 0.5113(2) 0.0188(5) Uani 1 1 d . . . . .
H1A H 0.728409 0.221312 0.511618 0.023 Uiso 1 1 calc R . . . .
H1B H 0.767393 0.146119 0.458589 0.023 Uiso 1 1 calc R . . . .
C2 C 0.6020(2) 0.2603(2) 0.3409(2) 0.0191(5) Uani 1 1 d . . . . .
H2A H 0.675332 0.243985 0.304726 0.023 Uiso 1 1 calc R . . . .
H2B H 0.617084 0.331116 0.335783 0.023 Uiso 1 1 calc R . . . .
C3 C 0.6697(3) 0.1034(2) 0.7260(2) 0.0242(6) Uani 1 1 d . . . . .
C4 C 0.5697(3) 0.0624(3) 0.8069(3) 0.0405(8) Uani 1 1 d . . . . .
H4 H 0.520212 0.004945 0.815598 0.049 Uiso 1 1 calc R . . . .
C5 C 0.5425(4) 0.1059(4) 0.8752(3) 0.0599(12) Uani 1 1 d . . . . .
H5 H 0.473382 0.078859 0.929771 0.072 Uiso 1 1 calc R . . . .
C6 C 0.6144(4) 0.1875(4) 0.8643(3) 0.0539(11) Uani 1 1 d . . . . .
H6 H 0.595677 0.215914 0.911971 0.065 Uiso 1 1 calc R . . . .
C7 C 0.7140(3) 0.2288(3) 0.7844(3) 0.0407(8) Uani 1 1 d . . . . .
H7 H 0.763709 0.285425 0.777064 0.049 Uiso 1 1 calc R . . . .
C8 C 0.7414(3) 0.1872(3) 0.7148(3) 0.0309(7) Uani 1 1 d . . . . .
H8 H 0.809392 0.216145 0.659272 0.037 Uiso 1 1 calc R . . . .
C9 C 0.8592(2) 0.0234(2) 0.6290(2) 0.0196(6) Uani 1 1 d . . . . .
C10 C 0.8862(3) -0.0739(2) 0.6968(2) 0.0238(6) Uani 1 1 d . . . . .
H10 H 0.824614 -0.127183 0.743500 0.029 Uiso 1 1 calc R . . . .
C11 C 1.0032(3) -0.0934(3) 0.6963(3) 0.0308(7) Uani 1 1 d . . . . .
H11 H 1.021459 -0.159718 0.742859 0.037 Uiso 1 1 calc R . . . .
C12 C 1.0930(3) -0.0158(3) 0.6278(3) 0.0312(7) Uani 1 1 d . . . . .
H12 H 1.172936 -0.028784 0.627889 0.037 Uiso 1 1 calc R . . . .
C13 C 1.0668(3) 0.0801(3) 0.5596(2) 0.0291(7) Uani 1 1 d . . . . .
H13 H 1.128799 0.132707 0.512203 0.035 Uiso 1 1 calc R . . . .
C14 C 0.9501(3) 0.1006(2) 0.5597(2) 0.0248(6) Uani 1 1 d . . . . .
H14 H 0.932485 0.167017 0.512656 0.030 Uiso 1 1 calc R . . . .
C15 C 0.4687(2) 0.2273(2) 0.5398(2) 0.0198(6) Uani 1 1 d . . . . .
C16 C 0.3472(3) 0.2060(2) 0.5570(2) 0.0226(6) Uani 1 1 d . . . . .
H16 H 0.318062 0.153310 0.542744 0.027 Uiso 1 1 calc R . . . .
C17 C 0.2690(3) 0.2615(3) 0.5947(2) 0.0298(7) Uani 1 1 d . . . . .
H17 H 0.186513 0.247780 0.605024 0.036 Uiso 1 1 calc R . . . .
C18 C 0.3111(3) 0.3363(3) 0.6172(3) 0.0410(9) Uani 1 1 d . . . . .
H18 H 0.257368 0.373314 0.644394 0.049 Uiso 1 1 calc R . . . .
C19 C 0.4314(3) 0.3582(3) 0.6006(3) 0.0440(9) Uani 1 1 d . . . . .
H19 H 0.459552 0.410136 0.616259 0.053 Uiso 1 1 calc R . . . .
C20 C 0.5113(3) 0.3045(3) 0.5610(3) 0.0325(7) Uani 1 1 d . . . . .
H20 H 0.593752 0.320245 0.548670 0.039 Uiso 1 1 calc R . . . .
C21 C 0.5564(3) 0.3380(2) 0.1415(2) 0.0273(6) Uani 1 1 d . . . . .
C22 C 0.4982(3) 0.3355(3) 0.0706(3) 0.0385(8) Uani 1 1 d . . . . .
H22 H 0.422747 0.297153 0.093738 0.046 Uiso 1 1 calc R . . . .
C23 C 0.5503(4) 0.3888(3) -0.0336(3) 0.0460(9) Uani 1 1 d . . . . .
H23 H 0.509487 0.388725 -0.081873 0.055 Uiso 1 1 calc R . . . .
C24 C 0.6609(4) 0.4419(3) -0.0674(3) 0.0425(9) Uani 1 1 d . . . . .
H24 H 0.697113 0.476711 -0.138786 0.051 Uiso 1 1 calc R . . . .
C25 C 0.7196(4) 0.4449(3) 0.0018(3) 0.0444(9) Uani 1 1 d . . . . .
H25 H 0.796007 0.481636 -0.021773 0.053 Uiso 1 1 calc R . . . .
C26 C 0.6660(3) 0.3936(3) 0.1068(3) 0.0369(8) Uani 1 1 d . . . . .
H26 H 0.705314 0.396972 0.154528 0.044 Uiso 1 1 calc R . . . .
C27 C 0.3780(3) 0.3457(2) 0.3073(2) 0.0260(6) Uani 1 1 d . . . . .
C28 C 0.4105(3) 0.4334(3) 0.3176(3) 0.0336(7) Uani 1 1 d . . . . .
H28 H 0.491317 0.453345 0.307833 0.040 Uiso 1 1 calc R . . . .
C29 C 0.3243(4) 0.4918(3) 0.3421(3) 0.0427(9) Uani 1 1 d . . . . .
H29 H 0.346041 0.551105 0.350363 0.051 Uiso 1 1 calc R . . . .
C30 C 0.2068(3) 0.4639(3) 0.3546(3) 0.0433(9) Uani 1 1 d . . . . .
H30 H 0.148321 0.504454 0.371142 0.052 Uiso 1 1 calc R . . . .
C31 C 0.1740(3) 0.3781(3) 0.3433(3) 0.0396(8) Uani 1 1 d . . . . .
H31 H 0.093323 0.359794 0.350952 0.048 Uiso 1 1 calc R . . . .
C32 C 0.2596(3) 0.3184(3) 0.3207(2) 0.0328(7) Uani 1 1 d . . . . .
H32 H 0.237051 0.258154 0.314271 0.039 Uiso 1 1 calc R . . . .
C33 C 0.4080(2) -0.0327(2) 0.6432(2) 0.0175(5) Uani 1 1 d . . . . .
C34 C 0.3468(2) -0.0482(2) 0.7269(2) 0.0195(6) Uani 1 1 d . . . . .
C35 C 0.2741(2) -0.0643(2) 0.8240(2) 0.0210(6) Uani 1 1 d . . . . .
C36 C 0.2662(3) 0.0158(2) 0.8551(2) 0.0236(6) Uani 1 1 d . . . . .
H36 H 0.308752 0.082695 0.810078 0.028 Uiso 1 1 calc R . . . .
C37 C 0.1980(3) -0.0003(2) 0.9497(2) 0.0248(6) Uani 1 1 d . . . . .
H37 H 0.195081 0.055288 0.968749 0.030 Uiso 1 1 calc R . . . .
C38 C 0.1325(2) -0.0986(2) 1.0186(2) 0.0228(6) Uani 1 1 d . . . . .
C39 C 0.1396(3) -0.1784(2) 0.9867(2) 0.0265(6) Uani 1 1 d . . . . .
H39 H 0.096167 -0.245093 1.030930 0.032 Uiso 1 1 calc R . . . .
C40 C 0.2085(3) -0.1612(2) 0.8921(2) 0.0247(6) Uani 1 1 d . . . . .
H40 H 0.211667 -0.216638 0.872723 0.030 Uiso 1 1 calc R . . . .
C41 C -0.0116(3) -0.2111(3) 1.1781(3) 0.0434(9) Uani 1 1 d . . . . .
H41A H -0.052367 -0.209161 1.241922 0.065 Uiso 1 1 calc GR . . . .
H41B H 0.035894 -0.271069 1.193923 0.065 Uiso 1 1 calc GR . . . .
H41C H -0.069891 -0.218724 1.143092 0.065 Uiso 1 1 calc GR . . . .
C42 C 0.0638(3) -0.0338(3) 1.1464(2) 0.0315(7) Uani 1 1 d . . . . .
H42A H 0.018499 -0.062083 1.217973 0.047 Uiso 1 1 calc GR . . . .
H42B H 0.027577 0.026738 1.103274 0.047 Uiso 1 1 calc GR . . . .
H42C H 0.145014 -0.011447 1.141230 0.047 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.85236(9) 0.43963(7) 0.32648(10) 0.0569(3) Uani 1 1 d . . . . .
O2 O 0.7408(3) 0.4729(2) 0.3074(3) 0.0664(10) Uani 1 1 d . . . . .
O1 O 0.8809(3) 0.3573(3) 0.2987(3) 0.0837(13) Uani 1 1 d . . . . .
O3 O 0.9386(3) 0.5268(2) 0.2739(4) 0.1042(17) Uani 1 1 d . . . . .
O4 O 0.8432(4) 0.3971(3) 0.4337(4) 0.1000(14) Uani 1 1 d . . . . .
C43 C 0.7664(7) 0.6528(5) 0.0875(5) 0.058(2) Uani 0.542(4) 1 d D U . A 1
H43A H 0.727249 0.587395 0.095059 0.070 Uiso 0.542(4) 1 calc R . . A 1
H43B H 0.822560 0.632349 0.131988 0.070 Uiso 0.542(4) 1 calc R . . A 1
Cl2 Cl 0.6608(2) 0.72099(18) 0.1287(2) 0.0701(8) Uani 0.542(4) 1 d D U . A 1
Cl3 Cl 0.8459(3) 0.7270(3) -0.0422(2) 0.1009(13) Uani 0.542(4) 1 d D U . A 1
C43' C 0.8579(11) 0.6417(9) 0.0389(9) 0.127(4) Uani 0.458(4) 1 d D U . A 2
H43C H 0.805251 0.575126 0.075412 0.152 Uiso 0.458(4) 1 calc R . . A 2
H43D H 0.902295 0.644624 0.086888 0.152 Uiso 0.458(4) 1 calc R . . A 2
Cl2' Cl 0.9598(4) 0.6401(3) -0.0688(3) 0.135(2) Uani 0.458(4) 1 d D U . A 2
Cl3' Cl 0.7701(5) 0.7490(4) 0.0057(5) 0.145(2) Uani 0.458(4) 1 d D U . A 2
O5 O 0.0137(8) 0.6327(8) 0.4210(8) 0.107(3) Uani 0.5 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cu1 2.7355(4) 2_656 ?
Pt1 Cu1 2.7355(4) . ?
Pt1 P2 2.3017(7) . ?
Pt1 P2 2.3017(7) 2_656 ?
Pt1 C33 2.016(3) 2_656 ?
Pt1 C33 2.016(3) . ?
Cu1 P1 2.2752(8) 2_656 ?
Cu1 P3 2.2392(8) . ?
Cu1 C33 2.190(3) . ?
P1 C2 1.843(3) . ?
P1 C21 1.823(3) . ?
P1 C27 1.823(3) . ?
P2 C1 1.824(3) . ?
P2 C2 1.824(3) . ?
P2 C15 1.810(3) . ?
P3 C1 1.852(3) . ?
P3 C3 1.823(3) . ?
P3 C9 1.825(3) . ?
N1 C38 1.368(4) . ?
N1 C41 1.446(4) . ?
N1 C42 1.447(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.390(5) . ?
C3 C8 1.391(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.391(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.369(6) . ?
C6 H6 0.9500 . ?
C6 C7 1.380(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.387(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.392(4) . ?
C9 C14 1.393(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.391(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.385(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.378(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.392(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.397(4) . ?
C15 C20 1.395(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.387(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.375(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.386(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.393(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.395(5) . ?
C21 C26 1.378(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.386(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.376(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.379(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.397(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.389(5) . ?
C27 C32 1.388(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.387(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.382(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.374(5) . ?
C31 H31 0.9500 . ?
C31 C32 1.385(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.221(4) . ?
C34 C35 1.431(4) . ?
C35 C36 1.403(4) . ?
C35 C40 1.401(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.379(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.415(4) . ?
C38 C39 1.407(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.379(4) . ?
C40 H40 0.9500 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
Cl1 O2 1.428(3) . ?
Cl1 O1 1.418(3) . ?
Cl1 O3 1.409(3) . ?
Cl1 O4 1.421(5) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 Cl2 1.733(7) . ?
C43 Cl3 1.776(6) . ?
C43' H43C 0.9900 . ?
C43' H43D 0.9900 . ?
C43' Cl2' 1.787(9) . ?
C43' Cl3' 1.774(9) . ?

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
Cu1 Pt1 Cu1 179.999(12) . 2_656 ?
P2 Pt1 Cu1 90.034(18) 2_656 2_656 ?
P2 Pt1 Cu1 90.036(18) . . ?
P2 Pt1 Cu1 89.965(18) . 2_656 ?
P2 Pt1 Cu1 89.966(18) 2_656 . ?
P2 Pt1 P2 180.0 . 2_656 ?
C33 Pt1 Cu1 127.74(7) . 2_656 ?
C33 Pt1 Cu1 52.26(7) . . ?
C33 Pt1 Cu1 127.74(7) 2_656 . ?
C33 Pt1 Cu1 52.26(7) 2_656 2_656 ?
C33 Pt1 P2 89.88(8) . . ?
C33 Pt1 P2 90.12(8) . 2_656 ?
C33 Pt1 P2 90.12(8) 2_656 . ?
C33 Pt1 P2 89.88(8) 2_656 2_656 ?
C33 Pt1 C33 180.0 . 2_656 ?
P1 Cu1 Pt1 97.88(2) 2_656 . ?
P3 Cu1 Pt1 95.73(2) . . ?
P3 Cu1 P1 155.55(3) . 2_656 ?
C33 Cu1 Pt1 46.72(7) . . ?
C33 Cu1 P1 94.91(7) . 2_656 ?
C33 Cu1 P3 109.17(7) . . ?
C2 P1 Cu1 107.07(9) . 2_656 ?
C21 P1 Cu1 113.67(10) . 2_656 ?
C21 P1 C2 102.69(14) . . ?
C27 P1 Cu1 120.21(11) . 2_656 ?
C27 P1 C2 105.91(14) . . ?
C27 P1 C21 105.66(14) . . ?
C1 P2 Pt1 108.49(9) . . ?
C2 P2 Pt1 112.58(9) . . ?
C2 P2 C1 103.48(12) . . ?
C15 P2 Pt1 118.12(10) . . ?
C15 P2 C1 108.94(13) . . ?
C15 P2 C2 104.20(13) . . ?
C1 P3 Cu1 112.00(9) . . ?
C3 P3 Cu1 114.08(10) . . ?
C3 P3 C1 103.85(13) . . ?
C3 P3 C9 104.09(13) . . ?
C9 P3 Cu1 118.72(10) . . ?
C9 P3 C1 102.44(13) . . ?
C38 N1 C41 120.8(3) . . ?
C38 N1 C42 120.9(3) . . ?
C41 N1 C42 118.3(3) . . ?
P2 C1 P3 113.63(14) . . ?
P2 C1 H1A 108.8 . . ?
P2 C1 H1B 108.8 . . ?
P3 C1 H1A 108.8 . . ?
P3 C1 H1B 108.8 . . ?
H1A C1 H1B 107.7 . . ?
P1 C2 H2A 109.1 . . ?
P1 C2 H2B 109.1 . . ?
P2 C2 P1 112.37(14) . . ?
P2 C2 H2A 109.1 . . ?
P2 C2 H2B 109.1 . . ?
H2A C2 H2B 107.9 . . ?
C4 C3 P3 118.6(2) . . ?
C4 C3 C8 119.4(3) . . ?
C8 C3 P3 122.0(2) . . ?
C3 C4 H4 120.2 . . ?
C3 C4 C5 119.7(4) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.5(4) . . ?
C6 C5 H5 119.7 . . ?
C5 C6 H6 119.8 . . ?
C5 C6 C7 120.4(3) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7 120.1 . . ?
C6 C7 C8 119.8(4) . . ?
C8 C7 H7 120.1 . . ?
C3 C8 H8 119.9 . . ?
C7 C8 C3 120.3(3) . . ?
C7 C8 H8 119.9 . . ?
C10 C9 P3 117.3(2) . . ?
C10 C9 C14 119.5(3) . . ?
C14 C9 P3 123.2(2) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 C9 120.2(3) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11 120.1 . . ?
C12 C11 C10 119.9(3) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.1(3) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.5(3) . . ?
C14 C13 H13 119.8 . . ?
C9 C14 H14 120.1 . . ?
C13 C14 C9 119.7(3) . . ?
C13 C14 H14 120.1 . . ?
C16 C15 P2 117.7(2) . . ?
C20 C15 P2 122.1(2) . . ?
C20 C15 C16 119.7(3) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.4(3) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 120.1 . . ?
C18 C17 C16 119.8(3) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 119.8 . . ?
C17 C18 C19 120.4(3) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 119.7 . . ?
C18 C19 C20 120.5(3) . . ?
C20 C19 H19 119.7 . . ?
C15 C20 H20 120.4 . . ?
C19 C20 C15 119.1(3) . . ?
C19 C20 H20 120.4 . . ?
C22 C21 P1 117.2(3) . . ?
C26 C21 P1 123.5(2) . . ?
C26 C21 C22 119.3(3) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.1(4) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.1(4) . . ?
C24 C23 H23 119.9 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.4(3) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 120.2 . . ?
C24 C25 C26 119.6(4) . . ?
C26 C25 H25 120.2 . . ?
C21 C26 C25 120.4(3) . . ?
C21 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C28 C27 P1 123.4(2) . . ?
C32 C27 P1 117.2(2) . . ?
C32 C27 C28 119.4(3) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 C27 119.6(3) . . ?
C29 C28 H28 120.2 . . ?
C28 C29 H29 119.9 . . ?
C30 C29 C28 120.2(3) . . ?
C30 C29 H29 119.9 . . ?
C29 C30 H30 119.7 . . ?
C31 C30 C29 120.5(3) . . ?
C31 C30 H30 119.7 . . ?
C30 C31 H31 120.3 . . ?
C30 C31 C32 119.4(3) . . ?
C32 C31 H31 120.3 . . ?
C27 C32 H32 119.6 . . ?
C31 C32 C27 120.7(3) . . ?
C31 C32 H32 119.6 . . ?
Pt1 C33 Cu1 81.02(9) . . ?
C34 C33 Pt1 175.6(2) . . ?
C34 C33 Cu1 103.3(2) . . ?
C33 C34 C35 178.8(3) . . ?
C36 C35 C34 121.5(3) . . ?
C40 C35 C34 121.1(3) . . ?
C40 C35 C36 117.4(3) . . ?
C35 C36 H36 119.2 . . ?
C37 C36 C35 121.6(3) . . ?
C37 C36 H36 119.2 . . ?
C36 C37 H37 119.5 . . ?
C36 C37 C38 120.9(3) . . ?
C38 C37 H37 119.5 . . ?
N1 C38 C37 121.0(3) . . ?
N1 C38 C39 121.7(3) . . ?
C39 C38 C37 117.4(3) . . ?
C38 C39 H39 119.5 . . ?
C40 C39 C38 121.0(3) . . ?
C40 C39 H39 119.5 . . ?
C35 C40 H40 119.1 . . ?
C39 C40 C35 121.7(3) . . ?
C39 C40 H40 119.1 . . ?
N1 C41 H41A 109.5 . . ?
N1 C41 H41B 109.5 . . ?
N1 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
N1 C42 H42A 109.5 . . ?
N1 C42 H42B 109.5 . . ?
N1 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O1 Cl1 O2 109.9(2) . . ?
O1 Cl1 O4 106.8(3) . . ?
O3 Cl1 O2 109.5(2) . . ?
O3 Cl1 O1 112.7(3) . . ?
O3 Cl1 O4 109.3(3) . . ?
O4 Cl1 O2 108.5(3) . . ?
H43A C43 H43B 107.8 . . ?
Cl2 C43 H43A 109.0 . . ?
Cl2 C43 H43B 109.0 . . ?
Cl2 C43 Cl3 113.1(4) . . ?
Cl3 C43 H43A 109.0 . . ?
Cl3 C43 H43B 109.0 . . ?
H43C C43' H43D 107.7 . . ?
Cl2' C43' H43C 108.8 . . ?
Cl2' C43' H43D 108.8 . . ?
Cl3' C43' H43C 108.8 . . ?
Cl3' C43' H43D 108.8 . . ?
Cl3' C43' Cl2' 113.8(7) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1b
_database_code_depnum_ccdc_archive 'CCDC 1975089'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2020-01-02 deposited with the CCDC.	2020-02-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C96 H84 Cl4 Cu2 F18 O6 P6 Pt S2'
_chemical_formula_weight         2389.54

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Cu Cu 0.3201 1.2651 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.1851(10)
_cell_length_b                   14.4771(12)
_cell_length_c                   14.8154(13)
_cell_angle_alpha                112.188(3)
_cell_angle_beta                 94.910(3)
_cell_angle_gamma                107.378(3)
_cell_volume                     2435.3(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9897
_cell_measurement_theta_min      2.66
_cell_measurement_theta_max      25.41

_exptl_crystal_description       block
_exptl_crystal_colour            'metallic greenish green'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_F_000             1196
_exptl_transmission_factor_min   0.5399
_exptl_transmission_factor_max   0.7454
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    2.204
_shelx_estimated_absorpt_T_min   0.679
_shelx_estimated_absorpt_T_max   0.748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            46180
_diffrn_reflns_av_unetI/netI     0.0274
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.660
_diffrn_reflns_theta_max         25.413
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             8940
_reflns_number_gt                8605
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0865P)²+8.8507P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8940
_refine_ls_number_parameters     695
_refine_ls_number_restraints     271
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0528
_refine_ls_wR_factor_ref         0.1436
_refine_ls_wR_factor_gt          0.1418
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.500000 0.500000 0.500000 0.02933(11) Uani 1 2 d S . P . .
Cu1 Cu 0.46487(6) 0.28631(5) 0.42477(5) 0.03912(18) Uani 1 1 d . . . . .
P1 P 0.59741(12) 0.29562(11) 0.33820(11) 0.0372(3) Uani 1 1 d . . . . .
P2 P 0.58270(11) 0.51219(11) 0.37125(11) 0.0333(3) Uani 1 1 d . . . . .
P3 P 0.61995(14) 0.75066(12) 0.45947(12) 0.0424(4) Uani 1 1 d . . . . .
F1 F 0.1115(3) 0.3969(4) 0.4441(4) 0.0692(12) Uani 1 1 d . . . . .
F2 F 0.1532(3) 0.4331(4) 0.3213(4) 0.0774(14) Uani 1 1 d . . . . .
F3 F -0.0146(3) 0.3712(4) 0.3256(4) 0.0817(14) Uani 1 1 d . . . . .
F4 F -0.1304(6) -0.0652(8) 0.0295(6) 0.160(4) Uani 1 1 d . . . . .
F5 F -0.2134(4) 0.0008(6) 0.1409(5) 0.132(3) Uani 1 1 d . . . . .
F6 F -0.1467(8) -0.1033(9) 0.1490(13) 0.244(8) Uani 1 1 d . . . . .
C1 C 0.6722(4) 0.4354(4) 0.3617(4) 0.0375(12) Uani 1 1 d . . . . .
H1A H 0.728749 0.470035 0.424554 0.045 Uiso 1 1 calc R U . . .
H1B H 0.709572 0.436032 0.306588 0.045 Uiso 1 1 calc R U . . .
C2 C 0.6782(5) 0.6470(4) 0.4042(5) 0.0427(13) Uani 1 1 d . . . . .
H2A H 0.700918 0.650840 0.343344 0.051 Uiso 1 1 calc R U . . .
H2B H 0.744104 0.661497 0.452371 0.051 Uiso 1 1 calc R U . . .
C3 C 0.5508(6) 0.2287(5) 0.2036(5) 0.0526(16) Uani 1 1 d . . . . .
C4 C 0.6142(6) 0.2102(6) 0.1349(6) 0.0577(17) Uani 1 1 d . . . . .
C5 C 0.5616(7) 0.1560(7) 0.0320(6) 0.068(2) Uani 1 1 d . . . . .
H5 H 0.603832 0.139589 -0.016591 0.082 Uiso 1 1 calc R U . . .
C6 C 0.4556(8) 0.1280(9) 0.0023(7) 0.099(4) Uani 1 1 d . . . . .
H6 H 0.423162 0.093484 -0.067294 0.119 Uiso 1 1 calc R U . . .
C7 C 0.3886(8) 0.1483(11) 0.0721(7) 0.116(5) Uani 1 1 d . . . . .
H7 H 0.312258 0.127879 0.049813 0.139 Uiso 1 1 calc R U . . .
C8 C 0.4353(7) 0.1969(8) 0.1705(6) 0.080(3) Uani 1 1 d . . . . .
H8 H 0.391573 0.210133 0.218232 0.096 Uiso 1 1 calc R U . . .
C9 C 0.7316(8) 0.2430(9) 0.1632(6) 0.082(3) Uani 1 1 d . . . . .
H9A H 0.760631 0.222101 0.102896 0.122 Uiso 1 1 calc R U . . .
H9B H 0.763447 0.320773 0.201579 0.122 Uiso 1 1 calc R U . . .
H9C H 0.750077 0.208348 0.204298 0.122 Uiso 1 1 calc R U . . .
C10 C 0.7020(7) 0.2512(6) 0.3803(6) 0.0583(19) Uani 1 1 d . . . . .
C11 C 0.6794(9) 0.1432(7) 0.3550(7) 0.077(3) Uani 1 1 d . . . . .
C12 C 0.7662(10) 0.1179(8) 0.4033(8) 0.083(3) Uani 1 1 d . . . . .
H12 H 0.758299 0.045664 0.386932 0.100 Uiso 1 1 calc R U . . .
C13 C 0.8563(9) 0.1987(11) 0.4705(9) 0.090(3) Uani 1 1 d . . . . .
H13 H 0.908528 0.180708 0.501871 0.108 Uiso 1 1 calc R U . . .
C14 C 0.8743(9) 0.2976(12) 0.4934(10) 0.101(4) Uani 1 1 d . . . . .
H14 H 0.938496 0.351042 0.540571 0.121 Uiso 1 1 calc R U . . .
C15 C 0.7992(6) 0.3261(9) 0.4489(7) 0.075(3) Uani 1 1 d . . . . .
H15 H 0.814313 0.399747 0.465604 0.090 Uiso 1 1 calc R U . . .
C16 C 0.5779(11) 0.0600(7) 0.2849(7) 0.094(4) Uani 1 1 d . . . . .
H16A H 0.515608 0.080895 0.302694 0.141 Uiso 1 1 calc R U . . .
H16B H 0.569073 -0.007982 0.288740 0.141 Uiso 1 1 calc R U . . .
H16C H 0.581449 0.051751 0.216583 0.141 Uiso 1 1 calc R U . . .
C17 C 0.5013(5) 0.4693(5) 0.2479(4) 0.0431(13) Uani 1 1 d . . . . .
C18 C 0.5516(8) 0.4484(6) 0.1663(5) 0.064(2) Uani 1 1 d . . . . .
H18 H 0.625342 0.452874 0.175644 0.076 Uiso 1 1 calc R U . . .
C19 C 0.4939(10) 0.4218(8) 0.0737(6) 0.084(3) Uani 1 1 d . . . . .
H19 H 0.527732 0.408317 0.018375 0.101 Uiso 1 1 calc R U . . .
C20 C 0.3840(11) 0.4141(8) 0.0600(6) 0.090(3) Uani 1 1 d . . . . .
H20 H 0.343114 0.393248 -0.004949 0.108 Uiso 1 1 calc R U . . .
C21 C 0.3354(8) 0.4371(7) 0.1413(6) 0.068(2) Uani 1 1 d . . . . .
H21 H 0.261872 0.433409 0.132308 0.082 Uiso 1 1 calc R U . . .
C22 C 0.3942(6) 0.4650(5) 0.2346(5) 0.0489(15) Uani 1 1 d . . . . .
H22 H 0.361438 0.481578 0.290493 0.059 Uiso 1 1 calc R U . . .
C23 C 0.7380(6) 0.8752(5) 0.5166(5) 0.0512(16) Uani 1 1 d D . . . .
C24 C 0.7232(6) 0.9701(5) 0.5645(5) 0.0570(18) Uani 1 1 d D . . . .
C25 C 0.8213(8) 1.0646(5) 0.6237(5) 0.068(2) Uani 1 1 d D . . . .
H25 H 0.814152 1.131552 0.658815 0.082 Uiso 1 1 calc R U . . .
C26 C 0.9201(8) 1.0581(6) 0.6290(6) 0.075(3) Uani 1 1 d D . . . .
H26 H 0.981841 1.120862 0.667994 0.090 Uiso 1 1 calc R U . . .
C27 C 0.9357(7) 0.9621(6) 0.5791(6) 0.071(2) Uani 1 1 d D . . . .
H27 H 1.007243 0.960163 0.583210 0.085 Uiso 1 1 calc R U . . .
C28 C 0.8498(6) 0.8730(5) 0.5254(6) 0.064(2) Uani 1 1 d D . . . .
H28 H 0.860462 0.807388 0.492467 0.076 Uiso 1 1 calc R U . . .
C29 C 0.6200(8) 0.9814(6) 0.5562(6) 0.072(2) Uani 1 1 d D . . . .
H29A H 0.623006 1.045895 0.613030 0.108 Uiso 1 1 calc R U . . .
H29B H 0.564561 0.918777 0.556145 0.108 Uiso 1 1 calc R U . . .
H29C H 0.601220 0.987446 0.493724 0.108 Uiso 1 1 calc R U . . .
C30 C 0.5513(9) 0.7540(6) 0.3518(6) 0.094(2) Uani 1 1 d D U . . .
C31 C 0.4449(11) 0.7356(9) 0.3261(8) 0.121(3) Uani 1 1 d D U . . .
C32 C 0.3890(11) 0.7310(8) 0.2316(8) 0.111(3) Uani 1 1 d D U . . .
H32 H 0.313648 0.718226 0.212618 0.134 Uiso 1 1 calc R U . . .
C33 C 0.4628(11) 0.7478(9) 0.1791(9) 0.111(3) Uani 1 1 d D U . . .
H33 H 0.431919 0.740870 0.115467 0.134 Uiso 1 1 calc R U . . .
C34 C 0.5754(11) 0.7734(9) 0.1951(8) 0.118(3) Uani 1 1 d D U . . .
H34 H 0.617235 0.789651 0.150324 0.141 Uiso 1 1 calc R U . . .
C35 C 0.6176(10) 0.7728(7) 0.2777(7) 0.109(3) Uani 1 1 d D U . . .
H35 H 0.693196 0.784769 0.292001 0.131 Uiso 1 1 calc R U . . .
C36 C 0.3770(10) 0.7141(9) 0.3863(8) 0.111(3) Uani 1 1 d D U . . .
H36A H 0.302462 0.702723 0.356547 0.167 Uiso 1 1 calc R U . . .
H36B H 0.378285 0.649713 0.393092 0.167 Uiso 1 1 calc R U . . .
H36C H 0.401471 0.774657 0.452479 0.167 Uiso 1 1 calc R U . . .
C37 C 0.3636(4) 0.3825(4) 0.4055(4) 0.0360(12) Uani 1 1 d . . . . .
C38 C 0.2789(4) 0.3118(5) 0.3527(4) 0.0394(12) Uani 1 1 d . . . . .
C39 C 0.1758(5) 0.2292(5) 0.2935(5) 0.0463(14) Uani 1 1 d . . . . .
C40 C 0.0797(5) 0.2512(6) 0.2895(5) 0.0539(16) Uani 1 1 d . . . . .
C41 C -0.0193(6) 0.1685(7) 0.2365(6) 0.068(2) Uani 1 1 d . . . . .
H41 H -0.085021 0.182926 0.235366 0.081 Uiso 1 1 calc R U . . .
C42 C -0.0220(6) 0.0657(7) 0.1857(6) 0.074(2) Uani 1 1 d . . . . .
C43 C 0.0705(7) 0.0431(7) 0.1886(6) 0.074(2) Uani 1 1 d . . . . .
H43 H 0.067283 -0.028303 0.153742 0.089 Uiso 1 1 calc R U . . .
C44 C 0.1697(6) 0.1237(6) 0.2422(5) 0.0584(18) Uani 1 1 d . . . . .
H44 H 0.234228 0.107323 0.244254 0.070 Uiso 1 1 calc R U . . .
C45 C 0.0818(5) 0.3616(7) 0.3441(6) 0.0619(19) Uani 1 1 d . . . . .
C46 C -0.1295(9) -0.0223(11) 0.1277(10) 0.117(5) Uani 1 1 d . . . . .
C49 C -0.0753(8) 0.2419(13) 0.9274(9) 0.179(5) Uani 0.831(9) 1 d D U P A 1
H49A H -0.033170 0.224481 0.875261 0.214 Uiso 0.831(9) 1 calc R U P A 1
H49B H -0.075843 0.314427 0.942499 0.214 Uiso 0.831(9) 1 calc R U P A 1
Cl1 Cl -0.0095(3) 0.2423(3) 1.0365(3) 0.1213(10) Uani 0.831(9) 1 d D U P A 1
Cl2 Cl -0.2107(4) 0.1495(5) 0.8802(3) 0.142(2) Uani 0.831(9) 1 d D U P A 1
C49' C -0.0753(8) 0.2419(13) 0.9274(9) 0.179(5) Uani 0.169(9) 1 d D . P A 2
H49C H -0.027070 0.301014 0.915311 0.214 Uiso 0.169(9) 1 calc R U P A 2
H49D H -0.084655 0.174156 0.870039 0.214 Uiso 0.169(9) 1 calc R U P A 2
Cl1' Cl -0.0095(3) 0.2423(3) 1.0365(3) 0.1213(10) Uani 0.169(9) 1 d D . P A 2
Cl2' Cl -0.2021(17) 0.255(3) 0.930(2) 0.182(8) Uani 0.169(9) 1 d D U P A 2
S1 S -0.0944(5) 0.6160(4) 1.2366(4) 0.0682(19) Uani 0.456(7) 1 d D U P B 1
O1 O -0.1652(14) 0.6754(12) 1.2249(12) 0.113(5) Uani 0.456(7) 1 d D U P B 1
O2 O -0.1276(12) 0.5612(10) 1.2961(8) 0.092(4) Uani 0.456(7) 1 d D U P B 1
O3 O 0.0194(7) 0.6782(9) 1.2547(9) 0.076(4) Uani 0.456(7) 1 d D U P B 1
C48 C -0.1230(9) 0.5137(7) 1.1100(5) 0.094(4) Uani 0.456(7) 1 d D U P B 1
F7 F -0.0694(13) 0.4480(10) 1.1001(11) 0.134(5) Uani 0.456(7) 1 d D U P B 1
F8 F -0.2260(9) 0.4493(10) 1.0720(8) 0.119(5) Uani 0.456(7) 1 d D U P B 1
F9 F -0.1125(12) 0.5501(10) 1.0420(6) 0.114(5) Uani 0.456(7) 1 d D U P B 1
S1' S -0.1121(9) 0.6004(10) 1.2141(10) 0.175(4) Uani 0.544(7) 1 d D U P B 2
O1' O -0.0919(14) 0.6675(15) 1.3254(12) 0.157(6) Uani 0.544(7) 1 d D U P B 2
O2' O -0.119(2) 0.653(2) 1.1523(19) 0.196(7) Uani 0.544(7) 1 d D U P B 2
O3' O -0.183(2) 0.4978(15) 1.202(2) 0.230(9) Uani 0.544(7) 1 d D U P B 2
C48' C 0.0131(13) 0.5762(17) 1.2122(17) 0.184(6) Uani 0.544(7) 1 d D U P B 2
F7' F 0.0886(16) 0.6703(16) 1.2538(19) 0.205(7) Uani 0.544(7) 1 d D U P B 2
F8' F 0.023(2) 0.529(2) 1.1198(17) 0.250(8) Uani 0.544(7) 1 d D U P B 2
F9' F 0.009(2) 0.5008(18) 1.238(2) 0.224(7) Uani 0.544(7) 1 d D U P B 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 C37 2.008(6) 2_666 ?
Pt1 C37 2.008(6) . ?
Pt1 P2 2.3139(13) . ?
Pt1 P2 2.3139(13) 2_666 ?
Pt1 Cu1 2.7347(7) . ?
Pt1 Cu1 2.7347(7) 2_666 ?
Cu1 P1 2.2563(15) . ?
Cu1 P3 2.2678(15) 2_666 ?
Cu1 C37 2.269(6) . ?
P1 C3 1.808(7) . ?
P1 C10 1.841(7) . ?
P1 C1 1.845(6) . ?
P2 C17 1.812(6) . ?
P2 C2 1.827(6) . ?
P2 C1 1.829(6) . ?
P3 C30 1.790(8) . ?
P3 C23 1.826(7) . ?
P3 C2 1.839(6) . ?
F1 C45 1.349(9) . ?
F2 C45 1.345(9) . ?
F3 C45 1.336(8) . ?
F4 C46 1.347(14) . ?
F5 C46 1.257(15) . ?
F6 C46 1.288(19) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.371(10) . ?
C3 C8 1.432(12) . ?
C4 C5 1.418(11) . ?
C4 C9 1.448(12) . ?
C5 C6 1.317(13) . ?
C5 H5 0.9500 . ?
C6 C7 1.421(13) . ?
C6 H6 0.9500 . ?
C7 C8 1.346(13) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.391(11) . ?
C10 C15 1.402(13) . ?
C11 C16 1.475(16) . ?
C11 C12 1.505(14) . ?
C12 C13 1.364(15) . ?
C12 H12 0.9500 . ?
C13 C14 1.279(16) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(12) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C22 1.389(10) . ?
C17 C18 1.405(9) . ?
C18 C19 1.362(12) . ?
C18 H18 0.9500 . ?
C19 C20 1.412(15) . ?
C19 H19 0.9500 . ?
C20 C21 1.388(13) . ?
C20 H20 0.9500 . ?
C21 C22 1.373(10) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.370(9) . ?
C23 C28 1.479(10) . ?
C24 C29 1.418(11) . ?
C24 C25 1.469(10) . ?
C25 C26 1.331(11) . ?
C25 H25 0.9500 . ?
C26 C27 1.393(11) . ?
C26 H26 0.9500 . ?
C27 C28 1.333(9) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.338(11) . ?
C30 C35 1.514(11) . ?
C31 C36 1.370(12) . ?
C31 C32 1.495(11) . ?
C32 C33 1.320(12) . ?
C32 H32 0.9500 . ?
C33 C34 1.394(12) . ?
C33 H33 0.9500 . ?
C34 C35 1.304(11) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.213(8) . ?
C38 C39 1.442(8) . ?
C39 C40 1.396(10) . ?
C39 C44 1.399(10) . ?
C40 C41 1.391(10) . ?
C40 C45 1.484(11) . ?
C41 C42 1.379(13) . ?
C41 H41 0.9500 . ?
C42 C43 1.356(13) . ?
C42 C46 1.503(11) . ?
C43 C44 1.383(10) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C49 Cl1 1.765(5) . ?
C49 Cl2 1.766(8) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49' Cl2' 1.741(8) . ?
C49' Cl1' 1.765(5) . ?
C49' H49C 0.9900 . ?
C49' H49D 0.9900 . ?
S1 O2 1.409(8) . ?
S1 O3 1.440(8) . ?
S1 O1 1.485(8) . ?
S1 C48 1.817(5) . ?
C48 F9 1.303(9) . ?
C48 F7 1.319(9) . ?
C48 F8 1.321(9) . ?
S1' O2' 1.409(12) . ?
S1' O3' 1.436(12) . ?
S1' O1' 1.515(12) . ?
S1' C48' 1.788(10) . ?
C48' F9' 1.273(13) . ?
C48' F7' 1.295(13) . ?
C48' F8' 1.316(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
C37 Pt1 C37 180.0 2_666 . ?
C37 Pt1 P2 87.08(15) 2_666 . ?
C37 Pt1 P2 92.92(15) . . ?
C37 Pt1 P2 92.92(15) 2_666 2_666 ?
C37 Pt1 P2 87.08(15) . 2_666 ?
P2 Pt1 P2 180.0 . 2_666 ?
C37 Pt1 Cu1 125.41(16) 2_666 . ?
C37 Pt1 Cu1 54.59(16) . . ?
P2 Pt1 Cu1 90.17(4) . . ?
P2 Pt1 Cu1 89.83(4) 2_666 . ?
C37 Pt1 Cu1 54.59(16) 2_666 2_666 ?
C37 Pt1 Cu1 125.41(16) . 2_666 ?
P2 Pt1 Cu1 89.83(4) . 2_666 ?
P2 Pt1 Cu1 90.17(4) 2_666 2_666 ?
Cu1 Pt1 Cu1 180.00(3) . 2_666 ?
P1 Cu1 P3 154.75(7) . 2_666 ?
P1 Cu1 C37 111.39(14) . . ?
P3 Cu1 C37 93.13(14) 2_666 . ?
P1 Cu1 Pt1 94.75(4) . . ?
P3 Cu1 Pt1 98.30(4) 2_666 . ?
C37 Cu1 Pt1 46.16(15) . . ?
C3 P1 C10 110.7(3) . . ?
C3 P1 C1 103.3(3) . . ?
C10 P1 C1 104.5(3) . . ?
C3 P1 Cu1 115.3(2) . . ?
C10 P1 Cu1 111.5(2) . . ?
C1 P1 Cu1 110.73(18) . . ?
C17 P2 C2 105.6(3) . . ?
C17 P2 C1 109.1(3) . . ?
C2 P2 C1 102.9(3) . . ?
C17 P2 Pt1 120.6(2) . . ?
C2 P2 Pt1 112.5(2) . . ?
C1 P2 Pt1 104.73(19) . . ?
C30 P3 C23 105.2(4) . . ?
C30 P3 C2 102.8(4) . . ?
C23 P3 C2 104.3(3) . . ?
C30 P3 Cu1 123.7(4) . 2_666 ?
C23 P3 Cu1 112.0(2) . 2_666 ?
C2 P3 Cu1 107.05(19) . 2_666 ?
P2 C1 P1 112.5(3) . . ?
P2 C1 H1A 109.1 . . ?
P1 C1 H1A 109.1 . . ?
P2 C1 H1B 109.1 . . ?
P1 C1 H1B 109.1 . . ?
H1A C1 H1B 107.8 . . ?
P2 C2 P3 112.9(3) . . ?
P2 C2 H2A 109.0 . . ?
P3 C2 H2A 109.0 . . ?
P2 C2 H2B 109.0 . . ?
P3 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
C4 C3 C8 120.0(7) . . ?
C4 C3 P1 126.7(6) . . ?
C8 C3 P1 113.2(5) . . ?
C3 C4 C5 118.1(7) . . ?
C3 C4 C9 122.8(7) . . ?
C5 C4 C9 119.1(7) . . ?
C6 C5 C4 121.4(8) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C5 C6 C7 121.3(9) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C8 C7 C6 118.9(9) . . ?
C8 C7 H7 120.6 . . ?
C6 C7 H7 120.6 . . ?
C7 C8 C3 120.2(7) . . ?
C7 C8 H8 119.9 . . ?
C3 C8 H8 119.9 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C15 119.0(8) . . ?
C11 C10 P1 120.1(7) . . ?
C15 C10 P1 120.4(6) . . ?
C10 C11 C16 122.0(8) . . ?
C10 C11 C12 115.1(10) . . ?
C16 C11 C12 122.9(8) . . ?
C13 C12 C11 120.0(9) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C14 C13 C12 123.4(10) . . ?
C14 C13 H13 118.3 . . ?
C12 C13 H13 118.3 . . ?
C13 C14 C15 119.4(13) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
C14 C15 C10 123.0(11) . . ?
C14 C15 H15 118.5 . . ?
C10 C15 H15 118.5 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C17 C18 120.1(6) . . ?
C22 C17 P2 121.2(5) . . ?
C18 C17 P2 118.5(6) . . ?
C19 C18 C17 119.7(8) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C18 C19 C20 120.0(8) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C21 C20 C19 120.2(8) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C22 C21 C20 119.6(9) . . ?
C22 C21 H21 120.2 . . ?
C20 C21 H21 120.2 . . ?
C21 C22 C17 120.4(7) . . ?
C21 C22 H22 119.8 . . ?
C17 C22 H22 119.8 . . ?
C24 C23 C28 119.3(6) . . ?
C24 C23 P3 119.6(6) . . ?
C28 C23 P3 120.4(5) . . ?
C23 C24 C29 123.5(7) . . ?
C23 C24 C25 116.9(7) . . ?
C29 C24 C25 119.5(7) . . ?
C26 C25 C24 121.3(7) . . ?
C26 C25 H25 119.4 . . ?
C24 C25 H25 119.4 . . ?
C25 C26 C27 121.9(8) . . ?
C25 C26 H26 119.0 . . ?
C27 C26 H26 119.0 . . ?
C28 C27 C26 119.8(8) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C27 C28 C23 120.8(7) . . ?
C27 C28 H28 119.6 . . ?
C23 C28 H28 119.6 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C35 115.5(9) . . ?
C31 C30 P3 126.9(8) . . ?
C35 C30 P3 117.5(7) . . ?
C30 C31 C36 120.2(11) . . ?
C30 C31 C32 125.3(11) . . ?
C36 C31 C32 114.4(11) . . ?
C33 C32 C31 107.8(11) . . ?
C33 C32 H32 126.1 . . ?
C31 C32 H32 126.1 . . ?
C32 C33 C34 135.0(12) . . ?
C32 C33 H33 112.5 . . ?
C34 C33 H33 112.5 . . ?
C35 C34 C33 113.2(12) . . ?
C35 C34 H34 123.4 . . ?
C33 C34 H34 123.4 . . ?
C34 C35 C30 122.9(11) . . ?
C34 C35 H35 118.6 . . ?
C30 C35 H35 118.6 . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 Pt1 176.6(5) . . ?
C38 C37 Cu1 101.1(4) . . ?
Pt1 C37 Cu1 79.25(19) . . ?
C37 C38 C39 177.4(6) . . ?
C40 C39 C44 118.6(6) . . ?
C40 C39 C38 121.3(6) . . ?
C44 C39 C38 120.0(6) . . ?
C41 C40 C39 119.9(8) . . ?
C41 C40 C45 119.6(7) . . ?
C39 C40 C45 120.6(6) . . ?
C42 C41 C40 119.9(8) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C43 C42 C41 120.9(7) . . ?
C43 C42 C46 119.9(10) . . ?
C41 C42 C46 119.2(10) . . ?
C42 C43 C44 120.1(8) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C44 C39 120.6(8) . . ?
C43 C44 H44 119.7 . . ?
C39 C44 H44 119.7 . . ?
F3 C45 F2 106.0(6) . . ?
F3 C45 F1 106.4(6) . . ?
F2 C45 F1 105.7(6) . . ?
F3 C45 C40 113.3(6) . . ?
F2 C45 C40 112.8(6) . . ?
F1 C45 C40 112.1(7) . . ?
F5 C46 F6 103.0(12) . . ?
F5 C46 F4 110.5(12) . . ?
F6 C46 F4 102.3(13) . . ?
F5 C46 C42 116.4(11) . . ?
F6 C46 C42 112.9(12) . . ?
F4 C46 C42 110.6(10) . . ?
Cl1 C49 Cl2 113.1(5) . . ?
Cl1 C49 H49A 109.0 . . ?
Cl2 C49 H49A 109.0 . . ?
Cl1 C49 H49B 109.0 . . ?
Cl2 C49 H49B 109.0 . . ?
H49A C49 H49B 107.8 . . ?
Cl2' C49' Cl1' 115.4(7) . . ?
Cl2' C49' H49C 108.4 . . ?
Cl1' C49' H49C 108.4 . . ?
Cl2' C49' H49D 108.4 . . ?
Cl1' C49' H49D 108.4 . . ?
H49C C49' H49D 107.5 . . ?
O2 S1 O3 119.0(9) . . ?
O2 S1 O1 112.7(11) . . ?
O3 S1 O1 111.8(11) . . ?
O2 S1 C48 106.0(6) . . ?
O3 S1 C48 103.3(5) . . ?
O1 S1 C48 101.9(6) . . ?
F9 C48 F7 110.4(12) . . ?
F9 C48 F8 97.1(11) . . ?
F7 C48 F8 103.9(12) . . ?
F9 C48 S1 114.3(7) . . ?
F7 C48 S1 114.1(7) . . ?
F8 C48 S1 115.5(7) . . ?
O2' S1' O3' 128.2(18) . . ?
O2' S1' O1' 115.9(16) . . ?
O3' S1' O1' 102.3(13) . . ?
O2' S1' C48' 107.7(12) . . ?
O3' S1' C48' 99.1(13) . . ?
O1' S1' C48' 98.5(11) . . ?
F9' C48' F7' 124(2) . . ?
F9' C48' F8' 97.9(19) . . ?
F7' C48' F8' 107.7(19) . . ?
F9' C48' S1' 110.5(15) . . ?
F7' C48' S1' 104.9(14) . . ?
F8' C48' S1' 111.0(17) . . ?

_refine_diff_density_max         2.281
_refine_diff_density_min         -1.082
_refine_diff_density_rms         0.128

####################################################################### 
# 
# 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_2a
_database_code_depnum_ccdc_archive 'CCDC 1975086'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2020-01-02 deposited with the CCDC.	2020-02-27 downloaded from the CCDC.
;
_audit_creation_date             2019-06-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C80 H68 Cu2 P6 Pt, 2(Cl O4), 2(C H2 Cl2)'
_chemical_formula_sum            'C82 H72 Cl6 Cu2 O8 P6 Pt'
_chemical_formula_weight         1906.08
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   24.0187(12)
_cell_length_b                   15.3260(7)
_cell_length_c                   21.7271(11)
_cell_angle_alpha                90
_cell_angle_beta                 90.117(2)
_cell_angle_gamma                90
_cell_volume                     7998.0(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9017
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.34
_cell_measurement_theta_min      2.53
_shelx_estimated_absorpt_T_max   0.708
_shelx_estimated_absorpt_T_min   0.620
_exptl_absorpt_coefficient_mu    2.647
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic greenish green'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   greenish
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3824
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   0.7452
_exptl_transmission_factor_min   0.5590
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            36546
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.357
_diffrn_reflns_theta_min         2.448
_diffrn_ambient_temperature      99.96
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6476
_reflns_number_total             7321
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.399
_refine_diff_density_min         -1.181
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         7321
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0312
_refine_ls_restrained_S_all      1.118
_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)+(0.0326P)²+24.1159P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0733
_refine_ls_wR_factor_ref         0.0773
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C41(H41A,H41B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22),
  C23(H23), C24(H24), C25(H25), C26(H26), C28(H28), C29(H29), C30(H30),
 C31(H31), C32(H32), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.250000 0.750000 0.500000 0.00965(6) Uani 1 2 d S T P . .
Cu1 Cu 0.26479(2) 0.67785(3) 0.38735(2) 0.01426(11) Uani 1 1 d . . . . .
Cl1 Cl 0.36746(4) 0.42197(6) 0.64203(5) 0.0253(2) Uani 1 1 d . . . . .
Cl2 Cl 0.54500(9) 0.28184(11) 0.52129(9) 0.0810(6) Uani 1 1 d . . . . .
Cl3 Cl 0.46703(7) 0.18811(9) 0.59936(9) 0.0679(5) Uani 1 1 d . . . . .
P1 P 0.30307(4) 0.55417(6) 0.42152(4) 0.0134(2) Uani 1 1 d . . . . .
P2 P 0.25501(4) 0.61417(6) 0.54495(4) 0.01098(19) Uani 1 1 d . . . . .
P3 P 0.24128(4) 0.70035(6) 0.67037(4) 0.0123(2) Uani 1 1 d . . . . .
O1 O 0.31287(16) 0.4212(3) 0.6649(3) 0.101(2) Uani 1 1 d . . . . .
O2 O 0.40211(15) 0.3664(2) 0.67763(15) 0.0450(9) Uani 1 1 d . . . . .
O3 O 0.38762(12) 0.50983(18) 0.64140(17) 0.0387(8) Uani 1 1 d . . . . .
O4 O 0.3676(2) 0.3904(2) 0.58040(17) 0.0869(18) Uani 1 1 d . . . . .
C1 C 0.27782(15) 0.6177(2) 0.62498(15) 0.0128(7) Uani 1 1 d . . . . .
H1A H 0.318275 0.629989 0.626238 0.015 Uiso 1 1 calc R . . . .
H1B H 0.271712 0.559759 0.643915 0.015 Uiso 1 1 calc R . . . .
C2 C 0.31109(14) 0.5558(2) 0.50601(16) 0.0129(7) Uani 1 1 d . . . . .
H2A H 0.312235 0.494997 0.521349 0.016 Uiso 1 1 calc R . . . .
H2B H 0.347041 0.583701 0.516541 0.016 Uiso 1 1 calc R . . . .
C3 C 0.37290(15) 0.5278(2) 0.39469(17) 0.0163(8) Uani 1 1 d . . . . .
C4 C 0.41266(16) 0.4854(3) 0.43067(18) 0.0216(9) Uani 1 1 d . . . . .
H4 H 0.404148 0.469353 0.471825 0.026 Uiso 1 1 calc R . . . .
C5 C 0.46444(17) 0.4668(3) 0.40649(19) 0.0257(9) Uani 1 1 d . . . . .
H5 H 0.491314 0.437455 0.431084 0.031 Uiso 1 1 calc R . . . .
C6 C 0.47756(16) 0.4904(3) 0.3467(2) 0.0259(9) Uani 1 1 d . . . . .
H6 H 0.513434 0.477825 0.330678 0.031 Uiso 1 1 calc R . . . .
C7 C 0.43839(17) 0.5323(3) 0.31037(19) 0.0223(9) Uani 1 1 d . . . . .
H7 H 0.447151 0.548430 0.269289 0.027 Uiso 1 1 calc R . . . .
C8 C 0.38608(16) 0.5507(2) 0.33460(17) 0.0181(8) Uani 1 1 d . . . . .
H8 H 0.359069 0.579256 0.309747 0.022 Uiso 1 1 calc R . . . .
C9 C 0.26134(15) 0.4575(2) 0.40731(16) 0.0152(8) Uani 1 1 d . . . . .
C10 C 0.27803(17) 0.3753(3) 0.42772(19) 0.0231(9) Uani 1 1 d . . . . .
H10 H 0.313104 0.368273 0.447380 0.028 Uiso 1 1 calc R . . . .
C11 C 0.24330(19) 0.3037(3) 0.4193(2) 0.0292(10) Uani 1 1 d . . . . .
H11 H 0.254634 0.247850 0.433463 0.035 Uiso 1 1 calc R . . . .
C12 C 0.19253(19) 0.3135(3) 0.3905(2) 0.0298(10) Uani 1 1 d . . . . .
H12 H 0.168916 0.264376 0.384883 0.036 Uiso 1 1 calc R . . . .
C13 C 0.17605(18) 0.3943(3) 0.3699(2) 0.0294(10) Uani 1 1 d . . . . .
H13 H 0.140942 0.400916 0.350258 0.035 Uiso 1 1 calc R . . . .
C14 C 0.21025(17) 0.4662(3) 0.37768(18) 0.0217(9) Uani 1 1 d . . . . .
H14 H 0.198795 0.521606 0.362722 0.026 Uiso 1 1 calc R . . . .
C15 C 0.19304(15) 0.5468(2) 0.54409(15) 0.0134(7) Uani 1 1 d . . . . .
C16 C 0.14082(15) 0.5876(2) 0.54772(17) 0.0176(8) Uani 1 1 d . . . . .
H16 H 0.138417 0.649350 0.550427 0.021 Uiso 1 1 calc R . . . .
C17 C 0.09272(17) 0.5374(3) 0.54735(18) 0.0231(9) Uani 1 1 d . . . . .
H17 H 0.057358 0.564631 0.551236 0.028 Uiso 1 1 calc R . . . .
C18 C 0.09637(17) 0.4476(3) 0.54129(18) 0.0238(9) Uani 1 1 d . . . . .
H18 H 0.063360 0.413528 0.539423 0.029 Uiso 1 1 calc R . . . .
C19 C 0.14759(17) 0.4074(3) 0.53796(17) 0.0219(9) Uani 1 1 d . . . . .
H19 H 0.149672 0.345749 0.533905 0.026 Uiso 1 1 calc R . . . .
C20 C 0.19606(16) 0.4562(2) 0.54050(17) 0.0170(8) Uani 1 1 d . . . . .
H20 H 0.231265 0.428013 0.539780 0.020 Uiso 1 1 calc R . . . .
C21 C 0.17888(15) 0.6464(2) 0.69852(16) 0.0167(8) Uani 1 1 d . . . . .
C22 C 0.13148(18) 0.6962(3) 0.7057(2) 0.0344(11) Uani 1 1 d . . . . .
H22 H 0.132469 0.756759 0.696577 0.041 Uiso 1 1 calc R . . . .
C23 C 0.08245(19) 0.6585(4) 0.7263(2) 0.0452(14) Uani 1 1 d . . . . .
H23 H 0.050073 0.693295 0.731586 0.054 Uiso 1 1 calc R . . . .
C24 C 0.08083(18) 0.5714(4) 0.7388(2) 0.0377(12) Uani 1 1 d . . . . .
H24 H 0.047014 0.545511 0.752133 0.045 Uiso 1 1 calc R . . . .
C25 C 0.12789(19) 0.5205(3) 0.7322(2) 0.0311(10) Uani 1 1 d . . . . .
H25 H 0.126525 0.459893 0.741428 0.037 Uiso 1 1 calc R . . . .
C26 C 0.17671(17) 0.5578(3) 0.71237(18) 0.0234(9) Uani 1 1 d . . . . .
H26 H 0.209158 0.522889 0.708083 0.028 Uiso 1 1 calc R . . . .
C27 C 0.28721(15) 0.7175(2) 0.73593(16) 0.0129(7) Uani 1 1 d . . . . .
C28 C 0.28143(17) 0.7952(3) 0.76804(18) 0.0219(9) Uani 1 1 d . . . . .
H28 H 0.253008 0.835270 0.756759 0.026 Uiso 1 1 calc R . . . .
C29 C 0.31696(18) 0.8147(3) 0.81657(18) 0.0250(9) Uani 1 1 d . . . . .
H29 H 0.312412 0.867694 0.838700 0.030 Uiso 1 1 calc R . . . .
C30 C 0.35904(17) 0.7573(3) 0.83289(18) 0.0216(9) Uani 1 1 d . . . . .
H30 H 0.383927 0.771409 0.865438 0.026 Uiso 1 1 calc R . . . .
C31 C 0.36461(16) 0.6790(3) 0.80140(17) 0.0199(8) Uani 1 1 d . . . . .
H31 H 0.393123 0.639163 0.812816 0.024 Uiso 1 1 calc R . . . .
C32 C 0.32865(16) 0.6584(2) 0.75315(17) 0.0180(8) Uani 1 1 d . . . . .
H32 H 0.332305 0.604420 0.732065 0.022 Uiso 1 1 calc R . . . .
C33 C 0.18859(15) 0.7117(2) 0.44311(16) 0.0130(7) Uani 1 1 d . . . . .
C34 C 0.14719(16) 0.6935(2) 0.41394(16) 0.0155(8) Uani 1 1 d . . . . .
C35 C 0.09553(15) 0.6732(3) 0.38376(17) 0.0172(8) Uani 1 1 d . . . . .
C36 C 0.07412(16) 0.5882(3) 0.38557(18) 0.0215(9) Uani 1 1 d . . . . .
H36 H 0.094629 0.542806 0.404954 0.026 Uiso 1 1 calc R . . . .
C37 C 0.02255(17) 0.5706(3) 0.35876(19) 0.0269(10) Uani 1 1 d . . . . .
H37 H 0.008057 0.512928 0.359778 0.032 Uiso 1 1 calc R . . . .
C38 C -0.00731(18) 0.6354(3) 0.3311(2) 0.0317(11) Uani 1 1 d . . . . .
H38 H -0.042474 0.622567 0.313113 0.038 Uiso 1 1 calc R . . . .
C39 C 0.01334(18) 0.7201(3) 0.3289(2) 0.0321(10) Uani 1 1 d . . . . .
H39 H -0.007639 0.764973 0.309559 0.039 Uiso 1 1 calc R . . . .
C40 C 0.06460(17) 0.7388(3) 0.35504(19) 0.0238(9) Uani 1 1 d . . . . .
H40 H 0.078806 0.796567 0.353405 0.029 Uiso 1 1 calc R . . . .
C41 C 0.4990(3) 0.2883(4) 0.5831(3) 0.0532(15) Uani 1 1 d . . . . .
H41A H 0.469979 0.332176 0.573665 0.064 Uiso 1 1 calc R . . . .
H41B H 0.519569 0.308427 0.620015 0.064 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cu1 2.7097(4) 7_566 ?
Pt1 Cu1 2.7097(4) . ?
Pt1 P2 2.3025(9) . ?
Pt1 P2 2.3026(9) 7_566 ?
Pt1 C33 2.010(4) 7_566 ?
Pt1 C33 2.010(4) . ?
Cu1 P1 2.2331(10) . ?
Cu1 P3 2.2535(10) 7_566 ?
Cu1 C33 2.257(4) . ?
Cl1 O1 1.403(4) . ?
Cl1 O2 1.419(3) . ?
Cl1 O3 1.431(3) . ?
Cl1 O4 1.424(4) . ?
Cl2 C41 1.743(6) . ?
Cl3 C41 1.754(6) . ?
P1 C2 1.845(4) . ?
P1 C3 1.822(4) . ?
P1 C9 1.815(4) . ?
P2 C1 1.823(3) . ?
P2 C2 1.826(4) . ?
P2 C15 1.811(4) . ?
P3 C1 1.830(4) . ?
P3 C21 1.819(4) . ?
P3 C27 1.819(4) . ?
C3 C4 1.393(5) . ?
C3 C8 1.389(5) . ?
C4 C5 1.381(6) . ?
C5 C6 1.385(6) . ?
C6 C7 1.386(6) . ?
C7 C8 1.392(5) . ?
C9 C10 1.394(5) . ?
C9 C14 1.391(5) . ?
C10 C11 1.390(6) . ?
C11 C12 1.377(6) . ?
C12 C13 1.375(6) . ?
C13 C14 1.384(6) . ?
C15 C16 1.404(5) . ?
C15 C20 1.392(5) . ?
C16 C17 1.388(5) . ?
C17 C18 1.386(6) . ?
C18 C19 1.378(6) . ?
C19 C20 1.385(5) . ?
C21 C22 1.380(6) . ?
C21 C26 1.392(5) . ?
C22 C23 1.386(6) . ?
C23 C24 1.363(7) . ?
C24 C25 1.382(7) . ?
C25 C26 1.375(6) . ?
C27 C28 1.387(5) . ?
C27 C32 1.397(5) . ?
C28 C29 1.387(5) . ?
C29 C30 1.386(6) . ?
C30 C31 1.388(5) . ?
C31 C32 1.393(5) . ?
C33 C34 1.211(5) . ?
C34 C35 1.436(5) . ?
C35 C36 1.402(5) . ?
C35 C40 1.396(5) . ?
C36 C37 1.394(6) . ?
C37 C38 1.364(6) . ?
C38 C39 1.390(6) . ?
C39 C40 1.385(6) . ?

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
Cu1 Pt1 Cu1 180.0 . 7_566 ?
P2 Pt1 Cu1 90.42(2) 7_566 7_566 ?
P2 Pt1 Cu1 90.42(2) . . ?
P2 Pt1 Cu1 89.58(2) 7_566 . ?
P2 Pt1 Cu1 89.58(2) . 7_566 ?
P2 Pt1 P2 180.0 . 7_566 ?
C33 Pt1 Cu1 125.25(10) 7_566 . ?
C33 Pt1 Cu1 54.75(10) 7_566 7_566 ?
C33 Pt1 Cu1 54.75(10) . . ?
C33 Pt1 Cu1 125.25(10) . 7_566 ?
C33 Pt1 P2 91.99(10) 7_566 7_566 ?
C33 Pt1 P2 88.01(10) 7_566 . ?
C33 Pt1 P2 91.98(10) . . ?
C33 Pt1 P2 88.01(10) . 7_566 ?
C33 Pt1 C33 180.0 . 7_566 ?
P1 Cu1 Pt1 95.78(3) . . ?
P1 Cu1 P3 156.11(4) . 7_566 ?
P1 Cu1 C33 110.52(9) . . ?
P3 Cu1 Pt1 98.99(3) 7_566 . ?
P3 Cu1 C33 93.24(9) 7_566 . ?
C33 Cu1 Pt1 46.65(9) . . ?
O1 Cl1 O2 110.5(3) . . ?
O1 Cl1 O3 109.1(2) . . ?
O1 Cl1 O4 109.6(4) . . ?
O2 Cl1 O3 111.8(2) . . ?
O2 Cl1 O4 107.8(2) . . ?
O4 Cl1 O3 108.0(2) . . ?
C2 P1 Cu1 111.18(12) . . ?
C3 P1 Cu1 117.44(13) . . ?
C3 P1 C2 103.12(16) . . ?
C9 P1 Cu1 114.17(12) . . ?
C9 P1 C2 103.69(17) . . ?
C9 P1 C3 105.82(17) . . ?
C1 P2 Pt1 113.14(12) . . ?
C1 P2 C2 103.65(16) . . ?
C2 P2 Pt1 106.52(12) . . ?
C15 P2 Pt1 117.95(12) . . ?
C15 P2 C1 105.80(16) . . ?
C15 P2 C2 108.83(17) . . ?
C1 P3 Cu1 107.68(12) . 7_566 ?
C21 P3 Cu1 120.76(12) . 7_566 ?
C21 P3 C1 105.23(17) . . ?
C21 P3 C27 107.54(16) . . ?
C27 P3 Cu1 110.76(12) . 7_566 ?
C27 P3 C1 103.38(16) . . ?
P2 C1 P3 113.03(18) . . ?
P2 C2 P1 113.07(18) . . ?
C4 C3 P1 123.7(3) . . ?
C8 C3 P1 117.1(3) . . ?
C8 C3 C4 119.2(4) . . ?
C5 C4 C3 120.0(4) . . ?
C4 C5 C6 120.6(4) . . ?
C5 C6 C7 120.0(4) . . ?
C6 C7 C8 119.4(4) . . ?
C3 C8 C7 120.8(4) . . ?
C10 C9 P1 121.7(3) . . ?
C14 C9 P1 119.1(3) . . ?
C14 C9 C10 119.1(3) . . ?
C11 C10 C9 119.9(4) . . ?
C12 C11 C10 120.3(4) . . ?
C13 C12 C11 119.9(4) . . ?
C12 C13 C14 120.5(4) . . ?
C13 C14 C9 120.2(4) . . ?
C16 C15 P2 118.7(3) . . ?
C20 C15 P2 121.7(3) . . ?
C20 C15 C16 119.6(3) . . ?
C17 C16 C15 119.8(4) . . ?
C18 C17 C16 119.9(4) . . ?
C19 C18 C17 120.4(4) . . ?
C18 C19 C20 120.4(4) . . ?
C19 C20 C15 119.8(4) . . ?
C22 C21 P3 117.9(3) . . ?
C22 C21 C26 118.9(4) . . ?
C26 C21 P3 123.2(3) . . ?
C21 C22 C23 120.5(4) . . ?
C24 C23 C22 119.8(5) . . ?
C23 C24 C25 120.6(4) . . ?
C26 C25 C24 119.7(4) . . ?
C25 C26 C21 120.4(4) . . ?
C28 C27 P3 117.2(3) . . ?
C28 C27 C32 119.6(3) . . ?
C32 C27 P3 123.1(3) . . ?
C27 C28 C29 120.4(4) . . ?
C30 C29 C28 120.3(4) . . ?
C29 C30 C31 119.6(4) . . ?
C30 C31 C32 120.4(4) . . ?
C31 C32 C27 119.7(3) . . ?
Pt1 C33 Cu1 78.60(12) . . ?
C34 C33 Pt1 171.9(3) . . ?
C34 C33 Cu1 109.4(3) . . ?
C33 C34 C35 175.4(4) . . ?
C36 C35 C34 120.3(3) . . ?
C40 C35 C34 120.5(3) . . ?
C40 C35 C36 119.1(3) . . ?
C37 C36 C35 119.6(4) . . ?
C38 C37 C36 120.6(4) . . ?
C37 C38 C39 120.5(4) . . ?
C40 C39 C38 119.7(4) . . ?
C39 C40 C35 120.4(4) . . ?
Cl2 C41 Cl3 112.6(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3b
_database_code_depnum_ccdc_archive 'CCDC 1975091'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2020-01-02 deposited with the CCDC.	2020-02-27 downloaded from the CCDC.
;
_audit_creation_date             2019-06-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C92 H92 Cu2 O4 P6 Pt, 2(Cl O4), O, 1.5(C H2 Cl2)'
_chemical_formula_sum            'C93.50 H97 Cl5 Cu2 O13 P6 Pt'
_chemical_formula_weight         2113.95
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Cu Cu 0.3201 1.2651 '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                   13.8346(7)
_cell_length_b                   15.7433(6)
_cell_length_c                   25.3399(12)
_cell_angle_alpha                77.505(2)
_cell_angle_beta                 83.276(2)
_cell_angle_gamma                67.421(2)
_cell_volume                     4971.8(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9916
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.41
_cell_measurement_theta_min      2.57
_shelx_estimated_absorpt_T_max   0.816
_shelx_estimated_absorpt_T_min   0.728
_exptl_absorpt_coefficient_mu    2.115
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.3700
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1357 before and 0.0565 after correction.
The Ratio of minimum to maximum transmission is 0.4965.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic orangish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2146
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_unetI/netI     0.0555
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            43739
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.414
_diffrn_reflns_theta_min         2.472
_diffrn_ambient_temperature      99.95
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15881
_reflns_number_total             18060
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.172
_refine_diff_density_min         -2.539
_refine_diff_density_rms         0.158
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1273
_refine_ls_number_reflns         18060
_refine_ls_number_restraints     540
_refine_ls_R_factor_all          0.0807
_refine_ls_R_factor_gt           0.0724
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1031P)²+35.4547P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1934
_refine_ls_wR_factor_ref         0.2010
_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
 C75-C76 = C76-C77 = C77-C78 = C78-C79 = C79-C80 = C80-C75 = C75'-C76' = C76'-
 C77' = C77'-C78' = C78'-C79' = C79'-C80' = C80'-C75'
 1.385 with sigma of 0.005
 O1-C92 = O4-C82 = O4'-C82'
 1.45 with sigma of 0.005
 C01-Cl01 = C01-Cl02 = C02-Cl03 = C02-Cl04 = C03-Cl05 = C03-Cl06
 1.765 with sigma of 0.01
 Cl01-Cl02 = Cl03-Cl04 = Cl05-Cl06
 2.95 with sigma of 0.01
 C75-C77 \\sim C76-C78 \\sim C77-C79 \\sim C78-C80 \\sim C79-C75 \\sim C80-C76
 with sigma of 0.01
 C78-C82 \\sim C78'-C82'
 with sigma of 0.01
3. Restrained planarity
 C75, C76, C77, C78, C79, C80, O3, C81, O4, C82
 with sigma of 0.01
 C75', C76', C77', C78', C79', C80', O3', C81', O4', C82'
 with sigma of 0.01
 C85, C86, C87, C88, C89, C90, C92, O1, O2
 with sigma of 0.01
4. Rigid bond restraints
 C5, C6
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C46, C47, C48, C49, C50, C51, C52
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C75, C76, C77, C78, C79, C80, O3, C81, O4, C82
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C75', C76', C77', C78', C79', C80', O3', C81', O4', C82'
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C85, C86, C87, C88, C89, C90, C92, O1, O2, C91
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 Cl2, O9, O10, O11, O12, O13'
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 Cl2', O9', O10', O11', O12', O13
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C03, Cl05, Cl06
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 Cl01, Cl02, C01
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 Cl03, Cl04, C02
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
C46 \\sim C47 \\sim C48 \\sim C49 \\sim C50 \\sim C51 \\sim C52: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C75 \\sim C76 \\sim C77 \\sim C78 \\sim C79 \\sim C80 \\sim O3 \\sim C81 \\sim
O4 \\sim C82: within 2A with sigma of 0.005 and sigma for terminal atoms of 0.01
C75' \\sim C76' \\sim C77' \\sim C78' \\sim C79' \\sim C80' \\sim O3' \\sim
C81' \\sim O4' \\sim C82': within 2A with sigma of 0.005 and sigma for terminal
atoms of 0.01
C85 \\sim C86 \\sim C87 \\sim C88 \\sim C89 \\sim C90 \\sim C92 \\sim O1 \\sim
O2 \\sim C91: within 2A with sigma of 0.005 and sigma for terminal atoms of 0.01
Cl2 \\sim O9 \\sim O10 \\sim O11 \\sim O12 \\sim O13': within 2A with sigma of
0.002 and sigma for terminal atoms of 0.004
Cl2' \\sim O9' \\sim O10' \\sim O11' \\sim O12' \\sim O13: within 2A with sigma
of 0.002 and sigma for terminal atoms of 0.004
C03 \\sim Cl05 \\sim Cl06: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Cl01 \\sim Cl02 \\sim C01: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Cl03 \\sim Cl04 \\sim C02: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
6. Same fragment restrains
{C39, C40, C41, C42, C43, C44, C45} sigma for 1-2: 0.01, 1-3: 0.04
as
{C46, C47, C48, C49, C50, C51, C52}
{Cl1, O5, O6, O7, O8} sigma for 1-2: 0.01, 1-3: 0.04
as
{Cl2, O9, O10, O11, O12}
{Cl1, O5, O6, O7, O8} sigma for 1-2: 0.01, 1-3: 0.04
as
{Cl2', O9', O10', O11', O12'}
7. Others
 Sof(C75')=Sof(C76')=Sof(H76')=Sof(C77')=Sof(H77')=Sof(C78')=Sof(C79')=
 Sof(H79')=Sof(C80')=Sof(O3')=Sof(C81')=Sof(H81D)=Sof(H81E)=Sof(H81F)=Sof(O4')=
 Sof(C82')=Sof(H82D)=Sof(H82E)=Sof(H82F)=1-FVAR(1)
 Sof(C75)=Sof(C76)=Sof(H76)=Sof(C77)=Sof(H77)=Sof(C78)=Sof(C79)=Sof(H79)=
 Sof(C80)=Sof(O3)=Sof(C81)=Sof(H81A)=Sof(H81B)=Sof(H81C)=Sof(O4)=Sof(C82)=
 Sof(H82A)=Sof(H82B)=Sof(H82C)=FVAR(1)
 Sof(Cl2')=Sof(O9')=Sof(O10')=Sof(O11')=Sof(O12')=Sof(O13')=1-FVAR(2)
 Sof(Cl2)=Sof(O9)=Sof(O10)=Sof(O11)=Sof(O12)=Sof(O13)=FVAR(2)
 Sof(C02)=Sof(H02A)=Sof(H02B)=Sof(Cl03)=Sof(Cl04)=1-FVAR(3)
 Sof(C01)=Sof(H01A)=Sof(H01B)=Sof(Cl01)=Sof(Cl02)=FVAR(3)
 Fixed Sof: Cl05(0.5) Cl06(0.5) C03(0.5) H03A(0.5) H03B(0.5)
8.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C01(H01A,H01B), C02(H02A,
 H02B), C03(H03A,H03B)
8.b Me refined with riding coordinates:
 C5(H5A,H5B,H5C), C12(H12A,H12B,H12C), C25(H25A,H25B,H25C), C32(H32A,H32B,
 H32C), C39(H39A,H39B,H39C), C46(H46A,H46B,H46C), C59(H59A,H59B,H59C), C66(H66A,
 H66B,H66C), C81(H81A,H81B,H81C), C82(H82A,H82B,H82C), C81'(H81D,H81E,H81F),
 C82'(H82D,H82E,H82F), C91(H91A,H91B,H91C), C92(H92A,H92B,H92C)
8.c Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9), C10(H10), C14(H14), C15(H15), C16(H16), C17(H17),
 C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C27(H27), C28(H28), C29(H29),
  C30(H30), C34(H34), C35(H35), C36(H36), C37(H37), C41(H41), C42(H42),
 C43(H43), C44(H44), C48(H48), C49(H49), C50(H50), C51(H51), C54(H54), C55(H55),
  C56(H56), C57(H57), C58(H58), C61(H61), C62(H62), C63(H63), C64(H64),
 C68(H68), C69(H69), C70(H70), C71(H71), C76(H76), C77(H77), C79(H79),
 C76'(H76'), C77'(H77'), C79'(H79'), C87(H87), C89(H89), C90(H90)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.86539(2) 0.34807(2) 0.25587(2) 0.03342(11) Uani 1 1 d . . . . .
Cu1 Cu 0.90143(7) 0.30506(7) 0.15607(4) 0.0380(2) Uani 1 1 d . . . . .
Cu2 Cu 0.79893(9) 0.47788(8) 0.32483(4) 0.0471(3) Uani 1 1 d . . . . .
P1 P 0.94059(19) 0.51790(16) 0.32051(9) 0.0459(5) Uani 1 1 d . . . . .
P2 P 1.02679(16) 0.35583(14) 0.25978(8) 0.0357(4) Uani 1 1 d . . . . .
P3 P 1.04249(14) 0.34719(13) 0.13856(8) 0.0314(4) Uani 1 1 d . . . . .
P4 P 0.73766(14) 0.32100(13) 0.13952(7) 0.0314(4) Uani 1 1 d . . . . .
P5 P 0.69881(15) 0.34675(13) 0.25639(7) 0.0320(4) Uani 1 1 d . . . . .
P6 P 0.6562(2) 0.44185(18) 0.35441(9) 0.0502(5) Uani 1 1 d . . . . .
O1 O 1.2636(10) -0.2383(7) 0.2504(4) 0.139(3) Uani 1 1 d D U . . .
O2 O 1.2115(6) 0.0896(6) 0.2173(4) 0.100(2) Uani 1 1 d . U . . .
C1 C 0.6040(6) 0.4349(6) 0.2933(3) 0.0421(18) Uani 1 1 d . . . . .
H1A H 0.582897 0.497028 0.269122 0.050 Uiso 1 1 calc R . . . .
H1B H 0.540602 0.419394 0.303303 0.050 Uiso 1 1 calc R . . . .
C2 C 0.6507(5) 0.3909(5) 0.1880(3) 0.0315(14) Uani 1 1 d . . . . .
H2A H 0.645124 0.456750 0.176505 0.038 Uiso 1 1 calc R . . . .
H2B H 0.579767 0.389498 0.187838 0.038 Uiso 1 1 calc R . . . .
C3 C 1.0186(7) 0.4749(6) 0.2608(3) 0.0426(18) Uani 1 1 d . . . . .
H3A H 0.985902 0.517562 0.227424 0.051 Uiso 1 1 calc R . . . .
H3B H 1.090047 0.474764 0.261445 0.051 Uiso 1 1 calc R . . . .
C4 C 1.1105(6) 0.3187(5) 0.2015(3) 0.0362(16) Uani 1 1 d . . . . .
H4A H 1.148272 0.249985 0.210155 0.043 Uiso 1 1 calc R . . . .
H4B H 1.163640 0.347998 0.195426 0.043 Uiso 1 1 calc R . . . .
C5 C 0.9418(14) 0.3987(14) 0.4463(6) 0.114(5) Uani 1 1 d . U . . .
H5A H 0.960749 0.360046 0.482226 0.171 Uiso 1 1 calc R . . . .
H5B H 0.879095 0.454391 0.449711 0.171 Uiso 1 1 calc R . . . .
H5C H 0.927614 0.362416 0.423340 0.171 Uiso 1 1 calc R . . . .
C6 C 1.0290(11) 0.4275(8) 0.4218(5) 0.075(3) Uani 1 1 d . U . . .
C7 C 1.1086(15) 0.3966(11) 0.4591(5) 0.104(5) Uani 1 1 d . . . . .
H7 H 1.103900 0.358159 0.493023 0.125 Uiso 1 1 calc R . . . .
C8 C 1.1946(18) 0.4235(15) 0.4453(8) 0.126(7) Uani 1 1 d . . . . .
H8 H 1.249925 0.402090 0.469616 0.152 Uiso 1 1 calc R . . . .
C9 C 1.1992(14) 0.4774(12) 0.3996(10) 0.123(7) Uani 1 1 d . . . . .
H9 H 1.257602 0.496405 0.392145 0.148 Uiso 1 1 calc R . . . .
C10 C 1.1248(10) 0.5092(9) 0.3612(6) 0.079(3) Uani 1 1 d . . . . .
H10 H 1.132173 0.548472 0.328011 0.095 Uiso 1 1 calc R . . . .
C11 C 1.0368(8) 0.4820(6) 0.3719(3) 0.049(2) Uani 1 1 d . . . . .
C12 C 0.8054(13) 0.6574(9) 0.3935(4) 0.098(5) Uani 1 1 d . . . . .
H12A H 0.762531 0.707923 0.412742 0.147 Uiso 1 1 calc R . . . .
H12B H 0.763904 0.621436 0.388716 0.147 Uiso 1 1 calc R . . . .
H12C H 0.866850 0.616063 0.414430 0.147 Uiso 1 1 calc R . . . .
C13 C 0.8406(9) 0.6988(7) 0.3388(4) 0.062(3) Uani 1 1 d . . . . .
C14 C 0.8092(11) 0.7970(7) 0.3247(5) 0.079(4) Uani 1 1 d . . . . .
H14 H 0.767827 0.834493 0.349970 0.095 Uiso 1 1 calc R . . . .
C15 C 0.8368(13) 0.8393(8) 0.2758(5) 0.096(5) Uani 1 1 d . . . . .
H15 H 0.813562 0.905626 0.267101 0.115 Uiso 1 1 calc R . . . .
C16 C 0.8982(17) 0.7864(9) 0.2388(5) 0.123(7) Uani 1 1 d . . . . .
H16 H 0.917867 0.815830 0.204771 0.147 Uiso 1 1 calc R . . . .
C17 C 0.9312(13) 0.6886(8) 0.2522(4) 0.088(4) Uani 1 1 d . . . . .
H17 H 0.973725 0.651443 0.227120 0.105 Uiso 1 1 calc R . . . .
C18 C 0.9018(9) 0.6454(6) 0.3025(3) 0.056(2) Uani 1 1 d . . . . .
C19 C 1.1022(7) 0.2828(6) 0.3187(3) 0.047(2) Uani 1 1 d . . . . .
C20 C 1.2001(8) 0.2861(7) 0.3241(4) 0.061(3) Uani 1 1 d . . . . .
H20 H 1.228091 0.323315 0.297011 0.073 Uiso 1 1 calc R . . . .
C21 C 1.2549(10) 0.2343(10) 0.3696(6) 0.085(4) Uani 1 1 d . . . . .
H21 H 1.320862 0.237012 0.374076 0.102 Uiso 1 1 calc R . . . .
C22 C 1.2166(13) 0.1787(11) 0.4088(6) 0.101(5) Uani 1 1 d . . . . .
H22 H 1.255991 0.142966 0.439801 0.121 Uiso 1 1 calc R . . . .
C23 C 1.1203(12) 0.1752(9) 0.4027(5) 0.088(4) Uani 1 1 d . . . . .
H23 H 1.092932 0.137395 0.429746 0.106 Uiso 1 1 calc R . . . .
C24 C 1.0636(9) 0.2268(7) 0.3574(4) 0.061(2) Uani 1 1 d . . . . .
H24 H 0.997964 0.223464 0.353002 0.073 Uiso 1 1 calc R . . . .
C25 C 1.0770(8) 0.1536(7) 0.1010(5) 0.064(3) Uani 1 1 d . . . . .
H25A H 1.023513 0.190476 0.124640 0.097 Uiso 1 1 calc R . . . .
H25B H 1.043567 0.149257 0.070193 0.097 Uiso 1 1 calc R . . . .
H25C H 1.113578 0.090561 0.121354 0.097 Uiso 1 1 calc R . . . .
C26 C 1.1549(7) 0.2007(6) 0.0807(4) 0.0464(19) Uani 1 1 d . . . . .
C27 C 1.2373(7) 0.1583(6) 0.0463(4) 0.055(2) Uani 1 1 d . . . . .
H27 H 1.240847 0.102876 0.035607 0.066 Uiso 1 1 calc R . . . .
C28 C 1.3141(7) 0.1946(6) 0.0273(4) 0.052(2) Uani 1 1 d . . . . .
H28 H 1.370158 0.163646 0.004375 0.062 Uiso 1 1 calc R . . . .
C29 C 1.3088(6) 0.2760(6) 0.0418(4) 0.0470(19) Uani 1 1 d . . . . .
H29 H 1.361069 0.301469 0.028808 0.056 Uiso 1 1 calc R . . . .
C30 C 1.2270(6) 0.3202(6) 0.0752(3) 0.0409(17) Uani 1 1 d . . . . .
H30 H 1.223834 0.375940 0.085320 0.049 Uiso 1 1 calc R . . . .
C31 C 1.1484(5) 0.2840(5) 0.0947(3) 0.0328(15) Uani 1 1 d . . . . .
C32 C 0.8830(7) 0.4785(7) 0.0496(4) 0.053(2) Uani 1 1 d . . . . .
H32A H 0.904070 0.412258 0.066677 0.079 Uiso 1 1 calc R . . . .
H32B H 0.808287 0.511016 0.057462 0.079 Uiso 1 1 calc R . . . .
H32C H 0.895923 0.483773 0.010372 0.079 Uiso 1 1 calc R . . . .
C33 C 0.9447(6) 0.5215(5) 0.0712(3) 0.0408(18) Uani 1 1 d . . . . .
C34 C 0.9285(7) 0.6158(6) 0.0528(4) 0.054(2) Uani 1 1 d . . . . .
H34 H 0.878521 0.651010 0.025855 0.065 Uiso 1 1 calc R . . . .
C35 C 0.9824(7) 0.6602(6) 0.0722(4) 0.054(2) Uani 1 1 d . . . . .
H35 H 0.968342 0.724932 0.059150 0.064 Uiso 1 1 calc R . . . .
C36 C 1.0564(8) 0.6102(6) 0.1106(4) 0.054(2) Uani 1 1 d . . . . .
H36 H 1.094326 0.639740 0.123903 0.065 Uiso 1 1 calc R . . . .
C37 C 1.0748(7) 0.5160(6) 0.1295(3) 0.0442(18) Uani 1 1 d . . . . .
H37 H 1.126572 0.481372 0.155619 0.053 Uiso 1 1 calc R . . . .
C38 C 1.0199(6) 0.4708(5) 0.1115(3) 0.0364(16) Uani 1 1 d . . . . .
C39 C 0.8140(10) 0.2630(8) 0.0278(4) 0.078(3) Uani 1 1 d D . . . .
H39A H 0.835457 0.253202 -0.009366 0.117 Uiso 1 1 calc R . . . .
H39B H 0.874876 0.256467 0.046807 0.117 Uiso 1 1 calc R . . . .
H39C H 0.784729 0.216394 0.046566 0.117 Uiso 1 1 calc R . . . .
C40 C 0.7357(7) 0.3557(6) 0.0268(3) 0.048(2) Uani 1 1 d D . . . .
C41 C 0.7050(7) 0.4144(7) -0.0237(3) 0.058(2) Uani 1 1 d D . . . .
H41 H 0.734814 0.391658 -0.055963 0.069 Uiso 1 1 calc R . . . .
C42 C 0.6339(7) 0.5027(8) -0.0268(3) 0.063(3) Uani 1 1 d D . . . .
H42 H 0.615575 0.541449 -0.061319 0.076 Uiso 1 1 calc R . . . .
C43 C 0.5865(7) 0.5382(7) 0.0200(4) 0.057(2) Uani 1 1 d D . . . .
H43 H 0.535567 0.599994 0.016953 0.069 Uiso 1 1 calc R . . . .
C44 C 0.6133(6) 0.4844(6) 0.0695(3) 0.0462(19) Uani 1 1 d D . . . .
H44 H 0.582316 0.508111 0.101340 0.055 Uiso 1 1 calc R . . . .
C45 C 0.6915(6) 0.3885(6) 0.0729(3) 0.0408(17) Uani 1 1 d D . . . .
C46 C 0.5336(9) 0.2848(8) 0.1227(6) 0.090(3) Uani 1 1 d D U . . .
H46A H 0.476642 0.264722 0.118177 0.135 Uiso 1 1 calc R . . . .
H46B H 0.511957 0.324794 0.150011 0.135 Uiso 1 1 calc R . . . .
H46C H 0.549693 0.319883 0.088208 0.135 Uiso 1 1 calc R . . . .
C47 C 0.6241(9) 0.2047(8) 0.1398(5) 0.079(2) Uani 1 1 d D U . . .
C48 C 0.6183(11) 0.1151(8) 0.1513(5) 0.088(3) Uani 1 1 d D U . . .
H48 H 0.555431 0.107073 0.146691 0.106 Uiso 1 1 calc R . . . .
C49 C 0.7041(10) 0.0416(9) 0.1691(5) 0.084(3) Uani 1 1 d D U . . .
H49 H 0.698398 -0.018119 0.177791 0.101 Uiso 1 1 calc R . . . .
C50 C 0.8020(10) 0.0450(9) 0.1760(5) 0.091(3) Uani 1 1 d D U . . .
H50 H 0.860706 -0.010597 0.186667 0.110 Uiso 1 1 calc R . . . .
C51 C 0.8098(10) 0.1294(7) 0.1669(4) 0.078(2) Uani 1 1 d D U . . .
H51 H 0.873653 0.135875 0.171596 0.093 Uiso 1 1 calc R . . . .
C52 C 0.7135(8) 0.2132(7) 0.1490(4) 0.068(2) Uani 1 1 d D U . . .
C53 C 0.6723(6) 0.2407(5) 0.2831(3) 0.0373(16) Uani 1 1 d . . . . .
C54 C 0.7462(7) 0.1631(6) 0.3124(3) 0.0468(19) Uani 1 1 d . . . . .
H54 H 0.812563 0.163476 0.318262 0.056 Uiso 1 1 calc R . . . .
C55 C 0.7205(8) 0.0831(7) 0.3333(4) 0.057(2) Uani 1 1 d . . . . .
H55 H 0.769761 0.029480 0.353990 0.069 Uiso 1 1 calc R . . . .
C56 C 0.6261(9) 0.0819(7) 0.3241(4) 0.061(3) Uani 1 1 d . . . . .
H56 H 0.610856 0.027126 0.337791 0.074 Uiso 1 1 calc R . . . .
C57 C 0.5542(9) 0.1577(7) 0.2959(4) 0.057(2) Uani 1 1 d . . . . .
H57 H 0.488366 0.155993 0.290147 0.068 Uiso 1 1 calc R . . . .
C58 C 0.5752(7) 0.2387(6) 0.2750(3) 0.0445(18) Uani 1 1 d . . . . .
H58 H 0.523787 0.292120 0.255410 0.053 Uiso 1 1 calc R . . . .
C59 C 0.4908(9) 0.3363(8) 0.4020(4) 0.070(3) Uani 1 1 d . . . . .
H59A H 0.480394 0.397928 0.379533 0.105 Uiso 1 1 calc R . . . .
H59B H 0.471579 0.298699 0.382028 0.105 Uiso 1 1 calc R . . . .
H59C H 0.446652 0.343984 0.435205 0.105 Uiso 1 1 calc R . . . .
C60 C 0.6031(9) 0.2879(8) 0.4163(4) 0.061(3) Uani 1 1 d . . . . .
C61 C 0.6358(12) 0.1986(9) 0.4484(5) 0.081(4) Uani 1 1 d . . . . .
H61 H 0.585869 0.170136 0.460552 0.098 Uiso 1 1 calc R . . . .
C62 C 0.7377(13) 0.1507(11) 0.4629(5) 0.094(4) Uani 1 1 d . . . . .
H62 H 0.757025 0.090108 0.484882 0.113 Uiso 1 1 calc R . . . .
C63 C 0.8131(12) 0.1900(10) 0.4457(5) 0.087(4) Uani 1 1 d . . . . .
H63 H 0.883791 0.157589 0.455822 0.104 Uiso 1 1 calc R . . . .
C64 C 0.7811(10) 0.2784(8) 0.4131(4) 0.069(3) Uani 1 1 d . . . . .
H64 H 0.831970 0.305730 0.400597 0.083 Uiso 1 1 calc R . . . .
C65 C 0.6790(8) 0.3282(7) 0.3982(4) 0.057(2) Uani 1 1 d . . . . .
C66 C 0.6596(13) 0.4985(11) 0.4643(5) 0.095(5) Uani 1 1 d . . . . .
H66A H 0.708728 0.450901 0.444803 0.142 Uiso 1 1 calc R . . . .
H66B H 0.692434 0.541403 0.469116 0.142 Uiso 1 1 calc R . . . .
H66C H 0.640898 0.468062 0.499849 0.142 Uiso 1 1 calc R . . . .
C67 C 0.5632(12) 0.5522(9) 0.4328(5) 0.078(4) Uani 1 1 d . . . . .
C68 C 0.4826(16) 0.6239(12) 0.4535(6) 0.107(6) Uani 1 1 d . . . . .
H68 H 0.490638 0.637804 0.486982 0.129 Uiso 1 1 calc R . . . .
C69 C 0.3900(16) 0.6756(10) 0.4258(7) 0.112(6) Uani 1 1 d . . . . .
H69 H 0.336886 0.724921 0.440401 0.134 Uiso 1 1 calc R . . . .
C70 C 0.3750(12) 0.6561(10) 0.3780(6) 0.098(5) Uani 1 1 d . . . . .
H70 H 0.311785 0.691191 0.359567 0.118 Uiso 1 1 calc R . . . .
C71 C 0.4545(11) 0.5835(8) 0.3566(5) 0.084(4) Uani 1 1 d . . . . .
H71 H 0.445008 0.569159 0.323464 0.101 Uiso 1 1 calc R . . . .
C72 C 0.5464(10) 0.5327(7) 0.3836(4) 0.065(3) Uani 1 1 d . . . . .
C73 C 0.7928(6) 0.4888(6) 0.2385(3) 0.0398(17) Uani 1 1 d . . . . .
C74 C 0.7522(7) 0.5700(6) 0.2163(4) 0.049(2) Uani 1 1 d . . . . .
C75 C 0.6957(6) 0.6699(5) 0.2005(4) 0.042(2) Uani 0.553(7) 1 d D U P A 1
C76 C 0.7111(7) 0.7021(6) 0.1461(4) 0.046(2) Uani 0.553(7) 1 d D U P A 1
H76 H 0.757336 0.660290 0.124190 0.056 Uiso 0.553(7) 1 calc R . P A 1
C77 C 0.6591(7) 0.7953(6) 0.1234(3) 0.049(3) Uani 0.553(7) 1 d D U P A 1
H77 H 0.669757 0.817333 0.086026 0.059 Uiso 0.553(7) 1 calc R . P A 1
C78 C 0.5918(6) 0.8562(5) 0.1553(4) 0.047(2) Uani 0.553(7) 1 d D U P A 1
C79 C 0.5764(6) 0.8242(6) 0.2098(4) 0.045(2) Uani 0.553(7) 1 d D U P A 1
H79 H 0.530463 0.866275 0.231671 0.054 Uiso 0.553(7) 1 calc R . P A 1
C80 C 0.6280(6) 0.7310(6) 0.2324(3) 0.043(2) Uani 0.553(7) 1 d D U P A 1
O3 O 0.6161(7) 0.6942(7) 0.2864(4) 0.049(2) Uani 0.553(7) 1 d . U P A 1
C81 C 0.5492(11) 0.7556(12) 0.3179(7) 0.055(3) Uani 0.553(7) 1 d . U P A 1
H81A H 0.546788 0.722145 0.355108 0.082 Uiso 0.553(7) 1 calc R . P A 1
H81B H 0.574501 0.806002 0.317365 0.082 Uiso 0.553(7) 1 calc R . P A 1
H81C H 0.478854 0.782254 0.303456 0.082 Uiso 0.553(7) 1 calc R . P A 1
O4 O 0.5382(8) 0.9485(7) 0.1352(4) 0.053(2) Uani 0.553(7) 1 d D U P A 1
C82 C 0.5536(11) 0.9838(10) 0.0781(4) 0.062(4) Uani 0.553(7) 1 d D U P A 1
H82A H 0.510502 1.050649 0.069415 0.092 Uiso 0.553(7) 1 calc R . P A 1
H82B H 0.627573 0.974818 0.070287 0.092 Uiso 0.553(7) 1 calc R . P A 1
H82C H 0.533067 0.949674 0.056212 0.092 Uiso 0.553(7) 1 calc R . P A 1
C75' C 0.7108(12) 0.6598(11) 0.1780(5) 0.052(3) Uani 0.447(7) 1 d D U P A 2
C76' C 0.7651(15) 0.7190(8) 0.1591(5) 0.055(3) Uani 0.447(7) 1 d D U P A 2
H76' H 0.836740 0.697906 0.167366 0.066 Uiso 0.447(7) 1 calc R . P A 2
C77' C 0.7189(13) 0.8076(9) 0.1285(5) 0.063(3) Uani 0.447(7) 1 d D U P A 2
H77' H 0.757570 0.846980 0.115857 0.075 Uiso 0.447(7) 1 calc R . P A 2
C78' C 0.6145(13) 0.8367(11) 0.1170(5) 0.068(3) Uani 0.447(7) 1 d D U P A 2
C79' C 0.5570(15) 0.7802(9) 0.1349(5) 0.066(3) Uani 0.447(7) 1 d D U P A 2
H79' H 0.485369 0.801269 0.126488 0.079 Uiso 0.447(7) 1 calc R . P A 2
C80' C 0.6065(12) 0.6921(10) 0.1653(5) 0.058(3) Uani 0.447(7) 1 d D U P A 2
O3' O 0.5574(12) 0.6296(9) 0.1855(5) 0.060(3) Uani 0.447(7) 1 d . U P A 2
C81' C 0.4523(17) 0.6606(15) 0.1733(8) 0.070(4) Uani 0.447(7) 1 d . U P A 2
H81D H 0.424530 0.611703 0.189297 0.106 Uiso 0.447(7) 1 calc R . P A 2
H81E H 0.412444 0.717399 0.187947 0.106 Uiso 0.447(7) 1 calc R . P A 2
H81F H 0.446220 0.674325 0.133919 0.106 Uiso 0.447(7) 1 calc R . P A 2
O4' O 0.5737(14) 0.9247(12) 0.0866(6) 0.085(4) Uani 0.447(7) 1 d D U P A 2
C82' C 0.4650(15) 0.9614(17) 0.0725(8) 0.110(6) Uani 0.447(7) 1 d D U P A 2
H82D H 0.447199 1.024604 0.050824 0.164 Uiso 0.447(7) 1 calc R . P A 2
H82E H 0.453747 0.920649 0.051514 0.164 Uiso 0.447(7) 1 calc R . P A 2
H82F H 0.420357 0.963633 0.105577 0.164 Uiso 0.447(7) 1 calc R . P A 2
C83 C 0.9463(6) 0.2143(6) 0.2546(3) 0.0409(17) Uani 1 1 d . . . . .
C84 C 1.0060(7) 0.1340(5) 0.2514(3) 0.0438(18) Uani 1 1 d . . . . .
C85 C 1.0731(10) 0.0386(8) 0.2496(4) 0.081(2) Uani 1 1 d . U . . .
C86 C 1.1782(10) 0.0149(9) 0.2331(3) 0.096(2) Uani 1 1 d . U . . .
C87 C 1.2442(12) -0.0811(10) 0.2333(4) 0.111(2) Uani 1 1 d . U . . .
H87 H 1.316274 -0.100146 0.222358 0.133 Uiso 1 1 calc R . . . .
C88 C 1.1913(14) -0.1466(10) 0.2516(4) 0.117(2) Uani 1 1 d . U . . .
C89 C 1.0919(13) -0.1239(9) 0.2673(4) 0.103(2) Uani 1 1 d . U . . .
H89 H 1.062063 -0.170294 0.279070 0.123 Uiso 1 1 calc R . . . .
C90 C 1.0338(11) -0.0320(8) 0.2661(5) 0.088(2) Uani 1 1 d . U . . .
H90 H 0.961871 -0.014986 0.277231 0.105 Uiso 1 1 calc R . . . .
C91 C 1.3145(11) 0.0687(11) 0.1916(8) 0.130(5) Uani 1 1 d . U . . .
H91A H 1.330440 0.125765 0.182073 0.195 Uiso 1 1 calc R . . . .
H91B H 1.366508 0.021388 0.216459 0.195 Uiso 1 1 calc R . . . .
H91C H 1.316707 0.044563 0.158712 0.195 Uiso 1 1 calc R . . . .
C92 C 1.2170(15) -0.3084(11) 0.2679(6) 0.158(5) Uani 1 1 d D U . . .
H92A H 1.270316 -0.370602 0.266288 0.238 Uiso 1 1 calc R . . . .
H92B H 1.188944 -0.306222 0.305161 0.238 Uiso 1 1 calc R . . . .
H92C H 1.160120 -0.295830 0.244146 0.238 Uiso 1 1 calc R . . . .
Cl1 Cl 0.32427(16) 0.46882(19) 0.20954(11) 0.0612(6) Uani 1 1 d D . . . .
O5 O 0.3163(6) 0.3842(6) 0.2090(4) 0.094(3) Uani 1 1 d D . . . .
O6 O 0.2247(5) 0.5414(6) 0.2109(4) 0.093(3) Uani 1 1 d D . . . .
O7 O 0.3783(8) 0.4608(6) 0.2540(4) 0.105(3) Uani 1 1 d D . . . .
O8 O 0.3841(8) 0.4935(7) 0.1625(4) 0.111(3) Uani 1 1 d D . . . .
Cl2 Cl 0.4040(4) 0.1030(5) 0.5346(2) 0.0882(19) Uani 0.501(6) 1 d D U P B 1
O9 O 0.4074(11) 0.1879(9) 0.5375(6) 0.088(2) Uani 0.501(6) 1 d D U P B 1
O10 O 0.4228(12) 0.1184(13) 0.4783(4) 0.090(2) Uani 0.501(6) 1 d D U P B 1
O11 O 0.4805(11) 0.0264(11) 0.5613(6) 0.095(3) Uani 0.501(6) 1 d D U P B 1
O12 O 0.3038(10) 0.0931(12) 0.5483(6) 0.081(2) Uani 0.501(6) 1 d D U P B 1
O13 O 0.055(3) 0.8550(16) 0.1191(10) 0.160(5) Uani 0.501(6) 1 d . U P B 1
Cl2' Cl -0.0703(10) 0.9390(5) 0.0584(3) 0.149(4) Uani 0.499(6) 1 d D U P B 2
O9' O -0.016(2) 0.8897(11) 0.0184(7) 0.151(4) Uani 0.499(6) 1 d D U P B 2
O10' O -0.1605(13) 0.9216(13) 0.0587(7) 0.148(4) Uani 0.499(6) 1 d D U P B 2
O11' O -0.054(2) 1.0199(11) 0.0566(7) 0.151(4) Uani 0.499(6) 1 d D U P B 2
O12' O -0.010(2) 0.8837(14) 0.1064(7) 0.159(4) Uani 0.499(6) 1 d D U P B 2
O13' O 0.2402(12) 0.0979(11) 0.5457(5) 0.069(3) Uani 0.499(6) 1 d . U P B 2
C01 C -0.0553(14) 0.8501(12) 0.4175(16) 0.181(7) Uani 0.657(8) 1 d D U P C 1
H01A H -0.112145 0.840426 0.442650 0.217 Uiso 0.657(8) 1 calc R . P C 1
H01B H -0.082557 0.872548 0.380611 0.217 Uiso 0.657(8) 1 calc R . P C 1
Cl01 Cl -0.0208(7) 0.9370(7) 0.4354(4) 0.167(4) Uani 0.657(8) 1 d D U P C 1
Cl02 Cl 0.0502(10) 0.7429(6) 0.4194(4) 0.224(6) Uani 0.657(8) 1 d D U P C 1
C02 C 0.3572(18) 0.940(3) 0.3819(8) 0.095(6) Uani 0.343(8) 1 d D U P C 2
H02A H 0.410047 0.875637 0.391816 0.114 Uiso 0.343(8) 1 calc R . P C 2
H02B H 0.351466 0.973349 0.411606 0.114 Uiso 0.343(8) 1 calc R . P C 2
Cl03 Cl 0.4016(9) 0.9976(8) 0.3221(5) 0.108(4) Uani 0.343(8) 1 d D U P C 2
Cl04 Cl 0.2358(9) 0.9318(8) 0.3762(5) 0.112(4) Uani 0.343(8) 1 d D U P C 2
Cl05 Cl 0.3970(10) 0.8088(8) 0.0017(6) 0.210(6) Uani 0.5 1 d D U P . .
Cl06 Cl 0.2707(10) 0.8968(8) 0.0912(7) 0.224(7) Uani 0.5 1 d D U P . .
C03 C 0.284(2) 0.826(3) 0.0442(14) 0.228(9) Uani 0.5 1 d D U P . .
H03A H 0.221822 0.854198 0.021497 0.273 Uiso 0.5 1 calc R . P . .
H03B H 0.285154 0.763847 0.064026 0.273 Uiso 0.5 1 calc R . P . .


_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 Cu1 2.6999(9) . ?
Pt1 Cu2 2.7931(10) . ?
Pt1 P2 2.2972(19) . ?
Pt1 P5 2.3111(19) . ?
Pt1 C73 2.021(8) . ?
Pt1 C83 1.976(9) . ?
Cu1 P3 2.260(2) . ?
Cu1 P4 2.2611(19) . ?
Cu2 P1 2.262(3) . ?
Cu2 P6 2.260(3) . ?
Cu2 C73 2.165(8) . ?
P1 C3 1.848(8) . ?
P1 C11 1.816(9) . ?
P1 C18 1.832(9) . ?
P2 C3 1.839(8) . ?
P2 C4 1.822(8) . ?
P2 C19 1.828(8) . ?
P3 C4 1.830(7) . ?
P3 C31 1.830(7) . ?
P3 C38 1.834(8) . ?
P4 C2 1.840(7) . ?
P4 C45 1.829(7) . ?
P4 C52 1.814(9) . ?
P5 C1 1.844(8) . ?
P5 C2 1.823(7) . ?
P5 C53 1.818(8) . ?
P6 C1 1.823(8) . ?
P6 C65 1.822(11) . ?
P6 C72 1.852(10) . ?
O1 C88 1.411(17) . ?
O1 C92 1.449(5) . ?
O2 C86 1.388(16) . ?
O2 C91 1.443(16) . ?
C5 C6 1.473(19) . ?
C6 C7 1.41(2) . ?
C6 C11 1.384(14) . ?
C7 C8 1.39(3) . ?
C8 C9 1.29(3) . ?
C9 C10 1.37(2) . ?
C10 C11 1.418(14) . ?
C12 C13 1.508(15) . ?
C13 C14 1.410(15) . ?
C13 C18 1.370(13) . ?
C14 C15 1.361(17) . ?
C15 C16 1.379(19) . ?
C16 C17 1.401(16) . ?
C17 C18 1.403(14) . ?
C19 C20 1.399(13) . ?
C19 C24 1.374(14) . ?
C20 C21 1.376(16) . ?
C21 C22 1.38(2) . ?
C22 C23 1.38(2) . ?
C23 C24 1.382(14) . ?
C25 C26 1.514(12) . ?
C26 C27 1.392(12) . ?
C26 C31 1.400(11) . ?
C27 C28 1.384(13) . ?
C28 C29 1.382(13) . ?
C29 C30 1.382(11) . ?
C30 C31 1.406(11) . ?
C32 C33 1.483(12) . ?
C33 C34 1.393(12) . ?
C33 C38 1.421(11) . ?
C34 C35 1.388(14) . ?
C35 C36 1.377(14) . ?
C36 C37 1.387(12) . ?
C37 C38 1.389(11) . ?
C39 C40 1.442(12) . ?
C40 C41 1.409(11) . ?
C40 C45 1.362(10) . ?
C41 C42 1.352(13) . ?
C42 C43 1.404(12) . ?
C43 C44 1.354(10) . ?
C44 C45 1.473(11) . ?
C46 C47 1.422(13) . ?
C47 C48 1.409(12) . ?
C47 C52 1.345(11) . ?
C48 C49 1.340(13) . ?
C49 C50 1.409(13) . ?
C50 C51 1.342(12) . ?
C51 C52 1.502(12) . ?
C53 C54 1.384(12) . ?
C53 C58 1.395(11) . ?
C54 C55 1.417(12) . ?
C55 C56 1.359(15) . ?
C56 C57 1.345(15) . ?
C57 C58 1.396(12) . ?
C59 C60 1.493(16) . ?
C60 C61 1.394(17) . ?
C60 C65 1.410(14) . ?
C61 C62 1.37(2) . ?
C62 C63 1.39(2) . ?
C63 C64 1.388(17) . ?
C64 C65 1.379(15) . ?
C66 C67 1.49(2) . ?
C67 C68 1.395(19) . ?
C67 C72 1.410(15) . ?
C68 C69 1.40(2) . ?
C69 C70 1.37(2) . ?
C70 C71 1.405(15) . ?
C71 C72 1.383(18) . ?
C73 C74 1.215(12) . ?
C74 C75 1.450(11) . ?
C74 C75' 1.478(19) . ?
C75 C76 1.384(5) . ?
C75 C80 1.388(5) . ?
C76 C77 1.386(5) . ?
C77 C78 1.383(5) . ?
C78 C79 1.385(5) . ?
C78 O4 1.365(12) . ?
C79 C80 1.386(5) . ?
C80 O3 1.382(13) . ?
O3 C81 1.378(18) . ?
O4 C82 1.455(5) . ?
C75' C76' 1.387(5) . ?
C75' C80' 1.385(5) . ?
C76' C77' 1.385(5) . ?
C77' C78' 1.383(5) . ?
C78' C79' 1.384(5) . ?
C78' O4' 1.37(2) . ?
C79' C80' 1.385(5) . ?
C80' O3' 1.38(2) . ?
O3' C81' 1.39(3) . ?
O4' C82' 1.446(5) . ?
C83 C84 1.229(12) . ?
C84 C85 1.439(13) . ?
C85 C86 1.391(18) . ?
C85 C90 1.385(17) . ?
C86 C87 1.434(17) . ?
C87 C88 1.45(2) . ?
C88 C89 1.32(2) . ?
C89 C90 1.354(17) . ?
Cl1 O5 1.382(8) . ?
Cl1 O6 1.414(7) . ?
Cl1 O7 1.380(8) . ?
Cl1 O8 1.439(9) . ?
Cl2 O9 1.373(10) . ?
Cl2 O10 1.404(10) . ?
Cl2 O11 1.366(10) . ?
Cl2 O12 1.449(11) . ?
Cl2' O9' 1.382(10) . ?
Cl2' O10' 1.376(11) . ?
Cl2' O11' 1.363(11) . ?
Cl2' O12' 1.467(12) . ?
C01 Cl01 1.767(10) . ?
C01 Cl02 1.753(10) . ?
C02 Cl03 1.767(10) . ?
C02 Cl04 1.756(10) . ?
Cl05 C03 1.756(10) . ?
Cl06 C03 1.753(10) . ?

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
Cu1 Pt1 Cu2 151.57(3) . . ?
P2 Pt1 Cu1 94.76(5) . . ?
P2 Pt1 Cu2 84.50(5) . . ?
P2 Pt1 P5 176.05(6) . . ?
P5 Pt1 Cu1 88.90(5) . . ?
P5 Pt1 Cu2 91.57(5) . . ?
C73 Pt1 Cu1 101.4(2) . . ?
C73 Pt1 Cu2 50.4(2) . . ?
C73 Pt1 P2 93.1(2) . . ?
C73 Pt1 P5 84.7(2) . . ?
C83 Pt1 Cu1 65.6(2) . . ?
C83 Pt1 Cu2 142.0(2) . . ?
C83 Pt1 P2 84.4(2) . . ?
C83 Pt1 P5 98.5(2) . . ?
C83 Pt1 C73 166.5(3) . . ?
P3 Cu1 Pt1 93.41(5) . . ?
P3 Cu1 P4 152.19(8) . . ?
P4 Cu1 Pt1 99.13(5) . . ?
P1 Cu2 Pt1 101.06(7) . . ?
P6 Cu2 Pt1 92.26(6) . . ?
P6 Cu2 P1 163.36(9) . . ?
C73 Cu2 Pt1 46.0(2) . . ?
C73 Cu2 P1 96.0(2) . . ?
C73 Cu2 P6 100.4(2) . . ?
C3 P1 Cu2 104.6(3) . . ?
C11 P1 Cu2 127.1(3) . . ?
C11 P1 C3 104.0(4) . . ?
C11 P1 C18 104.5(4) . . ?
C18 P1 Cu2 110.3(4) . . ?
C18 P1 C3 104.2(4) . . ?
C3 P2 Pt1 112.6(3) . . ?
C4 P2 Pt1 111.0(2) . . ?
C4 P2 C3 107.1(4) . . ?
C4 P2 C19 105.1(4) . . ?
C19 P2 Pt1 115.6(3) . . ?
C19 P2 C3 104.7(4) . . ?
C4 P3 Cu1 108.7(3) . . ?
C4 P3 C31 101.1(3) . . ?
C4 P3 C38 105.6(4) . . ?
C31 P3 Cu1 117.7(2) . . ?
C31 P3 C38 104.0(3) . . ?
C38 P3 Cu1 117.9(2) . . ?
C2 P4 Cu1 105.5(2) . . ?
C45 P4 Cu1 114.7(2) . . ?
C45 P4 C2 105.0(3) . . ?
C52 P4 Cu1 116.0(4) . . ?
C52 P4 C2 107.5(4) . . ?
C52 P4 C45 107.4(4) . . ?
C1 P5 Pt1 111.1(3) . . ?
C2 P5 Pt1 108.9(2) . . ?
C2 P5 C1 101.6(4) . . ?
C53 P5 Pt1 121.3(3) . . ?
C53 P5 C1 104.5(4) . . ?
C53 P5 C2 107.7(3) . . ?
C1 P6 Cu2 104.5(3) . . ?
C1 P6 C72 104.1(5) . . ?
C65 P6 Cu2 116.8(4) . . ?
C65 P6 C1 104.7(4) . . ?
C65 P6 C72 109.2(5) . . ?
C72 P6 Cu2 115.8(4) . . ?
C88 O1 C92 112.8(14) . . ?
C86 O2 C91 115.9(11) . . ?
P6 C1 P5 113.0(4) . . ?
P5 C2 P4 111.8(4) . . ?
P2 C3 P1 111.0(4) . . ?
P2 C4 P3 115.2(4) . . ?
C7 C6 C5 109.7(13) . . ?
C11 C6 C5 129.5(13) . . ?
C11 C6 C7 120.7(13) . . ?
C8 C7 C6 118.7(13) . . ?
C9 C8 C7 120.2(16) . . ?
C8 C9 C10 124.0(17) . . ?
C9 C10 C11 118.7(14) . . ?
C6 C11 P1 122.7(8) . . ?
C6 C11 C10 117.7(10) . . ?
C10 C11 P1 119.7(8) . . ?
C14 C13 C12 118.2(9) . . ?
C18 C13 C12 123.0(9) . . ?
C18 C13 C14 118.7(10) . . ?
C15 C14 C13 121.4(10) . . ?
C14 C15 C16 120.4(11) . . ?
C15 C16 C17 119.0(12) . . ?
C16 C17 C18 120.4(10) . . ?
C13 C18 P1 118.6(7) . . ?
C13 C18 C17 120.0(9) . . ?
C17 C18 P1 121.5(7) . . ?
C20 C19 P2 118.4(8) . . ?
C24 C19 P2 121.2(7) . . ?
C24 C19 C20 120.4(9) . . ?
C21 C20 C19 118.5(11) . . ?
C22 C21 C20 121.6(12) . . ?
C21 C22 C23 119.3(11) . . ?
C24 C23 C22 120.1(13) . . ?
C19 C24 C23 120.0(11) . . ?
C27 C26 C25 117.9(8) . . ?
C27 C26 C31 118.6(8) . . ?
C31 C26 C25 123.5(7) . . ?
C28 C27 C26 121.9(8) . . ?
C29 C28 C27 119.6(8) . . ?
C28 C29 C30 119.7(8) . . ?
C29 C30 C31 121.1(8) . . ?
C26 C31 P3 122.6(6) . . ?
C26 C31 C30 119.1(7) . . ?
C30 C31 P3 118.4(6) . . ?
C34 C33 C32 120.0(8) . . ?
C34 C33 C38 117.3(8) . . ?
C38 C33 C32 122.7(7) . . ?
C35 C34 C33 122.5(9) . . ?
C36 C35 C34 119.8(8) . . ?
C35 C36 C37 119.1(9) . . ?
C36 C37 C38 122.0(9) . . ?
C33 C38 P3 119.4(6) . . ?
C37 C38 P3 121.3(6) . . ?
C37 C38 C33 119.3(7) . . ?
C41 C40 C39 118.6(8) . . ?
C45 C40 C39 122.3(8) . . ?
C45 C40 C41 119.1(8) . . ?
C42 C41 C40 121.0(8) . . ?
C41 C42 C43 121.2(8) . . ?
C44 C43 C42 120.1(9) . . ?
C43 C44 C45 118.7(8) . . ?
C40 C45 P4 121.4(6) . . ?
C40 C45 C44 119.9(7) . . ?
C44 C45 P4 118.3(6) . . ?
C48 C47 C46 119.7(10) . . ?
C52 C47 C46 121.3(10) . . ?
C52 C47 C48 118.9(11) . . ?
C49 C48 C47 118.1(11) . . ?
C48 C49 C50 125.8(11) . . ?
C51 C50 C49 117.9(12) . . ?
C50 C51 C52 117.2(10) . . ?
C47 C52 P4 126.8(9) . . ?
C47 C52 C51 121.9(9) . . ?
C51 C52 P4 111.2(7) . . ?
C54 C53 P5 120.7(6) . . ?
C54 C53 C58 119.9(7) . . ?
C58 C53 P5 119.4(6) . . ?
C53 C54 C55 118.4(9) . . ?
C56 C55 C54 120.9(9) . . ?
C57 C56 C55 120.6(9) . . ?
C56 C57 C58 120.7(9) . . ?
C53 C58 C57 119.5(9) . . ?
C61 C60 C59 119.3(11) . . ?
C61 C60 C65 117.9(11) . . ?
C65 C60 C59 122.8(10) . . ?
C62 C61 C60 122.1(12) . . ?
C61 C62 C63 120.6(13) . . ?
C64 C63 C62 117.5(14) . . ?
C65 C64 C63 123.0(12) . . ?
C60 C65 P6 126.0(9) . . ?
C64 C65 P6 115.1(8) . . ?
C64 C65 C60 118.9(10) . . ?
C68 C67 C66 118.9(12) . . ?
C68 C67 C72 117.2(15) . . ?
C72 C67 C66 123.8(11) . . ?
C67 C68 C69 121.2(13) . . ?
C70 C69 C68 120.9(12) . . ?
C69 C70 C71 119.1(16) . . ?
C72 C71 C70 120.1(13) . . ?
C67 C72 P6 117.1(10) . . ?
C71 C72 P6 121.3(8) . . ?
C71 C72 C67 121.5(10) . . ?
Pt1 C73 Cu2 83.6(3) . . ?
C74 C73 Pt1 165.3(7) . . ?
C74 C73 Cu2 111.1(6) . . ?
C73 C74 C75 168.6(10) . . ?
C73 C74 C75' 167.1(10) . . ?
C76 C75 C74 112.4(7) . . ?
C76 C75 C80 119.9(5) . . ?
C80 C75 C74 127.6(8) . . ?
C75 C76 C77 120.2(5) . . ?
C78 C77 C76 119.8(5) . . ?
C77 C78 C79 120.1(5) . . ?
O4 C78 C77 122.4(8) . . ?
O4 C78 C79 117.4(8) . . ?
C78 C79 C80 120.1(5) . . ?
C79 C80 C75 119.9(5) . . ?
O3 C80 C75 116.9(8) . . ?
O3 C80 C79 123.2(8) . . ?
C81 O3 C80 116.5(11) . . ?
C78 O4 C82 118.4(10) . . ?
C76' C75' C74 124.5(13) . . ?
C80' C75' C74 117.5(12) . . ?
C80' C75' C76' 117.6(17) . . ?
C77' C76' C75' 122.5(18) . . ?
C78' C77' C76' 117.7(17) . . ?
C77' C78' C79' 122.0(17) . . ?
O4' C78' C77' 114.8(15) . . ?
O4' C78' C79' 123.2(13) . . ?
C78' C79' C80' 118.2(18) . . ?
C79' C80' C75' 122.0(18) . . ?
O3' C80' C75' 114.4(13) . . ?
O3' C80' C79' 123.6(15) . . ?
C80' O3' C81' 115.5(15) . . ?
C78' O4' C82' 118.9(16) . . ?
C84 C83 Pt1 172.7(7) . . ?
C83 C84 C85 177.5(10) . . ?
C86 C85 C84 121.5(11) . . ?
C90 C85 C84 119.6(11) . . ?
C90 C85 C86 118.8(11) . . ?
O2 C86 C85 115.3(10) . . ?
O2 C86 C87 124.4(13) . . ?
C85 C86 C87 120.4(13) . . ?
C86 C87 C88 114.1(14) . . ?
O1 C88 C87 109.1(15) . . ?
C89 C88 O1 125.5(16) . . ?
C89 C88 C87 125.3(13) . . ?
C88 C89 C90 117.6(15) . . ?
C89 C90 C85 123.7(14) . . ?
O5 Cl1 O6 111.8(5) . . ?
O5 Cl1 O8 109.9(6) . . ?
O6 Cl1 O8 109.4(6) . . ?
O7 Cl1 O5 109.8(6) . . ?
O7 Cl1 O6 109.2(6) . . ?
O7 Cl1 O8 106.6(7) . . ?
O9 Cl2 O10 91.4(10) . . ?
O9 Cl2 O12 116.0(9) . . ?
O10 Cl2 O12 111.0(10) . . ?
O11 Cl2 O9 115.4(12) . . ?
O11 Cl2 O10 113.1(9) . . ?
O11 Cl2 O12 109.0(10) . . ?
O9' Cl2' O12' 102.4(13) . . ?
O10' Cl2' O9' 96.9(13) . . ?
O10' Cl2' O12' 110.5(13) . . ?
O11' Cl2' O9' 114.5(12) . . ?
O11' Cl2' O10' 131.6(15) . . ?
O11' Cl2' O12' 98.1(14) . . ?
Cl02 C01 Cl01 112.9(9) . . ?
Cl04 C02 Cl03 113.6(9) . . ?
Cl06 C03 Cl05 114.3(9) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4b
_database_code_depnum_ccdc_archive 'CCDC 1975092'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2020-01-02 deposited with the CCDC.	2020-02-27 downloaded from the CCDC.
;
_audit_creation_date             2019-12-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C92 H94 Cu2 N2 P6 Pt, 2(Cl O4), 2(C1 H2 Cl2)'
_chemical_formula_sum            'C94 H98 Cl6 Cu2 N2 O8 P6 Pt'
_chemical_formula_weight         2104.43
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.4543(10)
_cell_length_b                   15.1665(11)
_cell_length_c                   23.1761(19)
_cell_angle_alpha                90
_cell_angle_beta                 93.196(3)
_cell_angle_gamma                90
_cell_volume                     4721.8(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9905
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.24
_cell_measurement_theta_min      2.63
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.250
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6526
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0823 before and 0.0629 after correction.
The Ratio of minimum to maximum transmission is 0.8757.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic reddish red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2136
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_unetI/netI     0.0317
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            49820
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.366
_diffrn_reflns_theta_min         2.214
_diffrn_ambient_temperature      99.97
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7121
_reflns_number_total             8631
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         3.528
_refine_diff_density_min         -2.352
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         8631
_refine_ls_number_restraints     151
_refine_ls_R_factor_all          0.0890
_refine_ls_R_factor_gt           0.0746
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0796P)²+50.8317P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1826
_refine_ls_wR_factor_ref         0.1940
_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
 C01-Cl01 = C01-Cl02 = C02-Cl03 = C02-Cl04
 1.765 with sigma of 0.008
 Cl01-Cl02 = Cl03-Cl04
 2.95 with sigma of 0.01
3. Rigid bond restraints
 Cu1, P1, P3
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C23, C24, C25, C26, C27, C28, C29
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C10, C11, C12, C13, C14, C15, C16
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 Cl01, Cl02, C01
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 Cl03, Cl04, C02
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C23 \\sim C24 \\sim C25 \\sim C26 \\sim C27 \\sim C28 \\sim C29: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
Cl01 \\sim Cl02 \\sim C01: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Cl03 \\sim Cl04 \\sim C02: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
5. Others
 Sof(C02)=Sof(H02A)=Sof(H02B)=Sof(Cl04)=Sof(Cl03)=1-FVAR(1)
 Sof(C01)=Sof(H01A)=Sof(H01B)=Sof(Cl01)=Sof(Cl02)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C01(H01A,H01B), C02(H02A,H02B)
6.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C12(H12), C13(H13), C14(H14), C15(H15),
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C25(H25), C26(H26), C27(H27),
  C28(H28), C32(H32), C33(H33), C34(H34), C35(H35), C40(H40), C41(H41),
 C43(H43), C44(H44)
6.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C10(H10A,H10B,H10C), C23(H23A,H23B,H23C), C30(H30A,H30B,
 H30C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.000000 0.500000 0.500000 0.03373(16) Uani 1 2 d S T P . .
Cu1 Cu 0.02251(13) 0.55420(8) 0.61157(5) 0.0724(5) Uani 1 1 d . U . . .
P1 P 0.2181(3) 0.55697(18) 0.61746(11) 0.0687(7) Uani 1 1 d . U . . .
P2 P 0.16908(16) 0.50984(12) 0.48958(9) 0.0345(4) Uani 1 1 d . . . . .
P3 P 0.1159(2) 0.51327(13) 0.35987(10) 0.0442(6) Uani 1 1 d . U . . .
N1 N 0.0085(10) 1.0677(6) 0.5857(4) 0.084(3) Uani 1 1 d . . . . .
C1 C 0.2366(6) 0.5813(5) 0.5421(3) 0.0323(16) Uani 1 1 d . . . . .
H1A H 0.308656 0.577005 0.535771 0.039 Uiso 1 1 calc R . . . .
H1B H 0.216192 0.643098 0.534271 0.039 Uiso 1 1 calc R . . . .
C2 C 0.1792(7) 0.5698(5) 0.4218(3) 0.0357(18) Uani 1 1 d . . . . .
H2A H 0.250442 0.577174 0.414317 0.043 Uiso 1 1 calc R . . . .
H2B H 0.149992 0.629268 0.425692 0.043 Uiso 1 1 calc R . . . .
C3 C 0.4446(8) 0.4819(7) 0.6042(5) 0.059(3) Uani 1 1 d . . . . .
H3A H 0.444928 0.539316 0.623618 0.089 Uiso 1 1 calc GR . . . .
H3B H 0.429100 0.490103 0.562718 0.089 Uiso 1 1 calc GR . . . .
H3C H 0.510200 0.454308 0.610172 0.089 Uiso 1 1 calc GR . . . .
C4 C 0.3695(8) 0.4254(6) 0.6281(4) 0.051(2) Uani 1 1 d . . . . .
C5 C 0.3989(9) 0.3382(7) 0.6455(5) 0.064(3) Uani 1 1 d . . . . .
H5 H 0.465381 0.319056 0.641713 0.077 Uiso 1 1 calc R . . . .
C6 C 0.3300(11) 0.2824(8) 0.6679(5) 0.076(4) Uani 1 1 d . . . . .
H6 H 0.350499 0.224377 0.678439 0.091 Uiso 1 1 calc R . . . .
C7 C 0.2337(12) 0.3064(8) 0.6756(5) 0.085(4) Uani 1 1 d . . . . .
H7 H 0.188723 0.266703 0.692217 0.102 Uiso 1 1 calc R . . . .
C8 C 0.2035(11) 0.3900(8) 0.6584(5) 0.078(4) Uani 1 1 d . . . . .
H8 H 0.136545 0.407830 0.662346 0.094 Uiso 1 1 calc R . . . .
C9 C 0.2718(9) 0.4491(6) 0.6350(4) 0.056(3) Uani 1 1 d . . . . .
C10 C 0.2700(15) 0.5639(12) 0.7511(6) 0.124(4) Uani 1 1 d . U . . .
H10A H 0.198560 0.558875 0.740982 0.186 Uiso 1 1 calc GR . . . .
H10B H 0.280326 0.577585 0.792332 0.186 Uiso 1 1 calc GR . . . .
H10C H 0.302944 0.508080 0.742791 0.186 Uiso 1 1 calc GR . . . .
C11 C 0.3135(13) 0.6366(11) 0.7161(5) 0.101(3) Uani 1 1 d . U . . .
C12 C 0.3701(13) 0.7071(12) 0.7432(6) 0.113(4) Uani 1 1 d . U . . .
H12 H 0.380968 0.707521 0.784065 0.136 Uiso 1 1 calc R . . . .
C13 C 0.4075(14) 0.7719(12) 0.7122(7) 0.117(4) Uani 1 1 d . U . . .
H13 H 0.443713 0.818126 0.731448 0.141 Uiso 1 1 calc R . . . .
C14 C 0.3949(12) 0.7731(10) 0.6539(7) 0.102(3) Uani 1 1 d . U . . .
H14 H 0.424718 0.818492 0.632534 0.122 Uiso 1 1 calc R . . . .
C15 C 0.3392(10) 0.7088(8) 0.6252(6) 0.083(3) Uani 1 1 d . U . . .
H15 H 0.328987 0.711515 0.584369 0.099 Uiso 1 1 calc R . . . .
C16 C 0.2975(11) 0.6397(8) 0.6555(5) 0.081(3) Uani 1 1 d . U . . .
C17 C 0.2469(7) 0.4130(5) 0.4867(4) 0.0405(19) Uani 1 1 d . . . . .
C18 C 0.2220(7) 0.3359(5) 0.5144(4) 0.047(2) Uani 1 1 d . . . . .
H18 H 0.160919 0.331618 0.532861 0.057 Uiso 1 1 calc R . . . .
C19 C 0.2876(8) 0.2646(6) 0.5149(5) 0.060(3) Uani 1 1 d . . . . .
H19 H 0.271122 0.211721 0.534175 0.072 Uiso 1 1 calc R . . . .
C20 C 0.3744(8) 0.2698(7) 0.4884(6) 0.067(3) Uani 1 1 d . . . . .
H20 H 0.417883 0.220428 0.488646 0.080 Uiso 1 1 calc R . . . .
C21 C 0.4000(8) 0.3458(7) 0.4611(5) 0.061(3) Uani 1 1 d . . . . .
H21 H 0.461056 0.349024 0.442492 0.073 Uiso 1 1 calc R . . . .
C22 C 0.3370(7) 0.4181(7) 0.4605(4) 0.053(2) Uani 1 1 d . . . . .
H22 H 0.355473 0.471168 0.442121 0.064 Uiso 1 1 calc R . . . .
C23 C 0.3174(9) 0.5421(7) 0.2967(5) 0.062(2) Uani 1 1 d . U . . .
H23A H 0.320638 0.580346 0.330805 0.093 Uiso 1 1 calc GR . . . .
H23B H 0.270090 0.566737 0.267280 0.093 Uiso 1 1 calc GR . . . .
H23C H 0.383422 0.538129 0.281064 0.093 Uiso 1 1 calc GR . . . .
C24 C 0.2850(11) 0.4555(8) 0.3127(5) 0.074(2) Uani 1 1 d . U . . .
C25 C 0.3545(11) 0.3808(9) 0.2969(6) 0.083(3) Uani 1 1 d . U . . .
H25 H 0.413986 0.393501 0.278280 0.099 Uiso 1 1 calc R . . . .
C26 C 0.3317(12) 0.2986(9) 0.3091(6) 0.089(3) Uani 1 1 d . U . . .
H26 H 0.376443 0.252410 0.300804 0.107 Uiso 1 1 calc R . . . .
C27 C 0.2379(11) 0.2781(9) 0.3353(6) 0.085(3) Uani 1 1 d . U . . .
H27 H 0.221271 0.218713 0.343496 0.102 Uiso 1 1 calc R . . . .
C28 C 0.1790(10) 0.3398(8) 0.3469(5) 0.072(2) Uani 1 1 d . U . . .
H28 H 0.117547 0.325887 0.363042 0.087 Uiso 1 1 calc R . . . .
C29 C 0.2037(10) 0.4335(8) 0.3359(5) 0.072(2) Uani 1 1 d . U . . .
C30 C 0.0242(10) 0.4851(6) 0.2362(4) 0.066(3) Uani 1 1 d . . . . .
H30A H -0.008372 0.455574 0.267637 0.099 Uiso 1 1 calc GR . . . .
H30B H 0.086021 0.454146 0.228576 0.099 Uiso 1 1 calc GR . . . .
H30C H -0.020310 0.484638 0.201232 0.099 Uiso 1 1 calc GR . . . .
C31 C 0.0478(7) 0.5796(6) 0.2533(4) 0.044(2) Uani 1 1 d . . . . .
C32 C 0.0272(9) 0.6472(7) 0.2139(4) 0.064(3) Uani 1 1 d . . . . .
H32 H -0.004490 0.633685 0.177321 0.077 Uiso 1 1 calc R . . . .
C33 C 0.0522(10) 0.7347(7) 0.2270(4) 0.067(3) Uani 1 1 d . . . . .
H33 H 0.038588 0.779887 0.199320 0.081 Uiso 1 1 calc R . . . .
C34 C 0.0961(8) 0.7545(6) 0.2795(4) 0.057(3) Uani 1 1 d . . . . .
H34 H 0.112412 0.813998 0.288805 0.069 Uiso 1 1 calc R . . . .
C35 C 0.1175(7) 0.6884(6) 0.3199(4) 0.047(2) Uani 1 1 d . . . . .
H35 H 0.148220 0.703051 0.356510 0.056 Uiso 1 1 calc R . . . .
C36 C 0.0941(6) 0.6006(5) 0.3070(3) 0.0359(17) Uani 1 1 d . . . . .
C37 C 0.0065(6) 0.6249(5) 0.5306(3) 0.0345(17) Uani 1 1 d . . . . .
C38 C 0.0128(6) 0.7013(5) 0.5442(3) 0.0316(16) Uani 1 1 d . . . . .
C39 C 0.0133(7) 0.7943(5) 0.5577(3) 0.0364(18) Uani 1 1 d . . . . .
C40 C 0.1014(8) 0.8403(6) 0.5660(4) 0.053(2) Uani 1 1 d . . . . .
H40 H 0.163005 0.809758 0.565524 0.063 Uiso 1 1 calc R . . . .
C41 C 0.1007(9) 0.9317(7) 0.5750(5) 0.067(3) Uani 1 1 d . . . . .
H41 H 0.161838 0.962764 0.580293 0.081 Uiso 1 1 calc R . . . .
C42 C 0.0109(9) 0.9772(6) 0.5764(4) 0.057(3) Uani 1 1 d . . . . .
C43 C -0.0777(9) 0.9306(6) 0.5697(4) 0.058(3) Uani 1 1 d . . . . .
H43 H -0.139632 0.960280 0.571341 0.070 Uiso 1 1 calc R . . . .
C44 C -0.0749(8) 0.8408(6) 0.5605(4) 0.051(2) Uani 1 1 d . . . . .
H44 H -0.136031 0.809557 0.555876 0.061 Uiso 1 1 calc R . . . .
C45 C -0.0837(13) 1.1153(8) 0.5835(6) 0.099(5) Uani 1 1 d . . . . .
H45A H -0.070165 1.178558 0.587225 0.149 Uiso 1 1 calc GR . . . .
H45B H -0.123683 1.096013 0.615291 0.149 Uiso 1 1 calc GR . . . .
H45C H -0.120347 1.103729 0.546560 0.149 Uiso 1 1 calc GR . . . .
C46 C 0.0995(15) 1.1166(8) 0.5930(7) 0.116(6) Uani 1 1 d . . . . .
H46A H 0.084670 1.177739 0.603188 0.174 Uiso 1 1 calc GR . . . .
H46B H 0.134061 1.115560 0.556903 0.174 Uiso 1 1 calc GR . . . .
H46C H 0.142097 1.089937 0.623986 0.174 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.64416(18) 0.23737(15) 0.55368(11) 0.0537(6) Uani 1 1 d . . . . .
O4 O 0.6084(6) 0.3264(5) 0.5488(4) 0.077(2) Uani 1 1 d . . . . .
O3 O 0.7455(8) 0.2351(6) 0.5398(7) 0.136(5) Uani 1 1 d . . . . .
O1 O 0.5943(9) 0.1843(7) 0.5140(6) 0.133(5) Uani 1 1 d . . . . .
O2 O 0.637(2) 0.2123(11) 0.6064(6) 0.247(12) Uani 1 1 d . . . . .
C01 C 0.468(2) 0.000(2) 0.3975(7) 0.134(7) Uani 0.485(8) 1 d D U . A 1
H01A H 0.438710 -0.053412 0.413531 0.161 Uiso 0.485(8) 1 calc R . . A 1
H01B H 0.510016 0.028558 0.428842 0.161 Uiso 0.485(8) 1 calc R . . A 1
Cl01 Cl 0.3716(6) 0.0734(4) 0.3753(4) 0.105(3) Uani 0.485(8) 1 d D U . A 1
Cl02 Cl 0.5455(10) -0.0307(7) 0.3417(6) 0.144(4) Uani 0.485(8) 1 d D U . A 1
C02 C 0.5810(14) -0.005(2) 0.4357(7) 0.197(8) Uani 0.515(8) 1 d D U . A 2
H02A H 0.559718 0.056887 0.438121 0.237 Uiso 0.515(8) 1 calc R . . A 2
H02B H 0.521097 -0.042739 0.438338 0.237 Uiso 0.515(8) 1 calc R . . A 2
Cl04 Cl 0.6637(7) -0.0286(4) 0.4950(6) 0.160(5) Uani 0.515(8) 1 d D U . A 2
Cl03 Cl 0.6308(11) -0.0229(9) 0.3681(6) 0.198(6) Uani 0.515(8) 1 d D U . 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 Cu1 2.7141(12) 3_566 ?
Pt1 Cu1 2.7141(12) . ?
Pt1 P2 2.306(2) . ?
Pt1 P2 2.306(2) 3_566 ?
Pt1 C37 2.023(8) 3_566 ?
Pt1 C37 2.023(8) . ?
Cu1 P1 2.628(4) . ?
Cu1 P3 2.256(3) 3_566 ?
Cu1 C37 2.162(8) . ?
P1 C1 1.817(8) . ?
P1 C9 1.825(9) . ?
P1 C16 1.841(14) . ?
P2 C1 1.833(7) . ?
P2 C2 1.826(8) . ?
P2 C17 1.807(8) . ?
P3 C2 1.840(8) . ?
P3 C29 1.801(13) . ?
P3 C36 1.818(8) . ?
N1 C42 1.391(12) . ?
N1 C45 1.434(18) . ?
N1 C46 1.434(19) . ?
C3 C4 1.457(15) . ?
C4 C5 1.432(14) . ?
C4 C9 1.380(15) . ?
C5 C6 1.377(17) . ?
C6 C7 1.368(19) . ?
C7 C8 1.384(16) . ?
C8 C9 1.413(17) . ?
C10 C11 1.51(2) . ?
C11 C12 1.44(2) . ?
C11 C16 1.408(16) . ?
C12 C13 1.33(3) . ?
C13 C14 1.35(2) . ?
C14 C15 1.378(18) . ?
C15 C16 1.40(2) . ?
C17 C18 1.383(12) . ?
C17 C22 1.389(14) . ?
C18 C19 1.396(13) . ?
C19 C20 1.352(16) . ?
C20 C21 1.368(16) . ?
C21 C22 1.385(13) . ?
C23 C24 1.439(16) . ?
C24 C25 1.527(18) . ?
C24 C29 1.289(18) . ?
C25 C26 1.317(19) . ?
C26 C27 1.47(2) . ?
C27 C28 1.265(17) . ?
C28 C29 1.485(16) . ?
C30 C31 1.515(12) . ?
C31 C32 1.391(12) . ?
C31 C36 1.396(11) . ?
C32 C33 1.397(14) . ?
C33 C34 1.357(14) . ?
C34 C35 1.390(12) . ?
C35 C36 1.397(11) . ?
C37 C38 1.203(11) . ?
C38 C39 1.445(10) . ?
C39 C40 1.380(12) . ?
C39 C44 1.384(13) . ?
C40 C41 1.402(13) . ?
C41 C42 1.393(16) . ?
C42 C43 1.386(16) . ?
C43 C44 1.380(13) . ?
Cl1 O4 1.435(8) . ?
Cl1 O3 1.418(11) . ?
Cl1 O1 1.369(10) . ?
Cl1 O2 1.289(12) . ?
C01 Cl01 1.763(8) . ?
C01 Cl02 1.767(8) . ?
C02 Cl04 1.754(8) . ?
C02 Cl03 1.757(8) . ?

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
Cu1 Pt1 Cu1 180.0 . 3_566 ?
P2 Pt1 Cu1 91.25(6) 3_566 3_566 ?
P2 Pt1 Cu1 91.25(6) . . ?
P2 Pt1 Cu1 88.75(6) 3_566 . ?
P2 Pt1 Cu1 88.75(6) . 3_566 ?
P2 Pt1 P2 180.0 . 3_566 ?
C37 Pt1 Cu1 128.2(2) 3_566 . ?
C37 Pt1 Cu1 51.8(2) 3_566 3_566 ?
C37 Pt1 Cu1 51.8(2) . . ?
C37 Pt1 Cu1 128.2(2) . 3_566 ?
C37 Pt1 P2 87.3(2) 3_566 3_566 ?
C37 Pt1 P2 92.7(2) . 3_566 ?
C37 Pt1 P2 87.3(2) . . ?
C37 Pt1 P2 92.7(2) 3_566 . ?
C37 Pt1 C37 180.0 . 3_566 ?
P1 Cu1 Pt1 96.47(8) . . ?
P3 Cu1 Pt1 95.28(7) 3_566 . ?
P3 Cu1 P1 146.35(9) 3_566 . ?
C37 Cu1 Pt1 47.4(2) . . ?
C37 Cu1 P1 95.1(2) . . ?
C37 Cu1 P3 115.8(2) . 3_566 ?
C1 P1 Cu1 98.3(3) . . ?
C1 P1 C9 108.8(4) . . ?
C1 P1 C16 102.4(5) . . ?
C9 P1 Cu1 112.3(4) . . ?
C9 P1 C16 107.0(5) . . ?
C16 P1 Cu1 126.1(4) . . ?
C1 P2 Pt1 115.1(3) . . ?
C2 P2 Pt1 104.1(3) . . ?
C2 P2 C1 102.6(3) . . ?
C17 P2 Pt1 121.9(3) . . ?
C17 P2 C1 103.8(4) . . ?
C17 P2 C2 107.6(4) . . ?
C2 P3 Cu1 109.6(3) . 3_566 ?
C29 P3 Cu1 110.6(4) . 3_566 ?
C29 P3 C2 105.7(5) . . ?
C29 P3 C36 111.4(5) . . ?
C36 P3 Cu1 115.1(3) . 3_566 ?
C36 P3 C2 103.7(4) . . ?
C42 N1 C45 121.3(12) . . ?
C42 N1 C46 120.1(12) . . ?
C45 N1 C46 118.4(11) . . ?
P1 C1 P2 115.4(4) . . ?
P2 C2 P3 112.7(4) . . ?
C5 C4 C3 117.6(10) . . ?
C9 C4 C3 125.2(9) . . ?
C9 C4 C5 117.2(10) . . ?
C6 C5 C4 119.6(11) . . ?
C7 C6 C5 123.2(11) . . ?
C6 C7 C8 118.1(13) . . ?
C7 C8 C9 120.3(13) . . ?
C4 C9 P1 125.1(8) . . ?
C4 C9 C8 121.6(9) . . ?
C8 C9 P1 113.3(8) . . ?
C12 C11 C10 121.3(13) . . ?
C16 C11 C10 121.3(15) . . ?
C16 C11 C12 117.3(17) . . ?
C13 C12 C11 121.3(14) . . ?
C12 C13 C14 121.2(16) . . ?
C13 C14 C15 120.5(19) . . ?
C14 C15 C16 120.8(13) . . ?
C11 C16 P1 120.4(13) . . ?
C15 C16 P1 120.6(8) . . ?
C15 C16 C11 118.9(13) . . ?
C18 C17 P2 120.9(7) . . ?
C18 C17 C22 119.3(8) . . ?
C22 C17 P2 119.5(7) . . ?
C17 C18 C19 119.3(10) . . ?
C20 C19 C18 120.8(10) . . ?
C19 C20 C21 120.4(10) . . ?
C20 C21 C22 120.1(11) . . ?
C21 C22 C17 120.0(10) . . ?
C23 C24 C25 114.7(12) . . ?
C29 C24 C23 128.3(13) . . ?
C29 C24 C25 117.0(12) . . ?
C26 C25 C24 119.9(15) . . ?
C25 C26 C27 120.4(14) . . ?
C28 C27 C26 119.7(14) . . ?
C27 C28 C29 121.5(14) . . ?
C24 C29 P3 122.8(10) . . ?
C24 C29 C28 121.5(12) . . ?
C28 C29 P3 115.7(10) . . ?
C32 C31 C30 119.6(8) . . ?
C32 C31 C36 118.6(8) . . ?
C36 C31 C30 121.8(8) . . ?
C31 C32 C33 121.4(9) . . ?
C34 C33 C32 119.5(9) . . ?
C33 C34 C35 120.4(9) . . ?
C34 C35 C36 120.5(8) . . ?
C31 C36 P3 118.7(6) . . ?
C31 C36 C35 119.6(7) . . ?
C35 C36 P3 121.6(6) . . ?
Pt1 C37 Cu1 80.8(3) . . ?
C38 C37 Pt1 174.5(7) . . ?
C38 C37 Cu1 104.3(6) . . ?
C37 C38 C39 175.5(9) . . ?
C40 C39 C38 121.1(8) . . ?
C40 C39 C44 117.9(8) . . ?
C44 C39 C38 120.9(8) . . ?
C39 C40 C41 120.5(10) . . ?
C42 C41 C40 120.4(10) . . ?
N1 C42 C41 121.3(11) . . ?
C43 C42 N1 119.5(11) . . ?
C43 C42 C41 119.1(9) . . ?
C44 C43 C42 119.3(10) . . ?
C43 C44 C39 122.7(10) . . ?
O3 Cl1 O4 109.1(5) . . ?
O1 Cl1 O4 110.5(6) . . ?
O1 Cl1 O3 105.9(8) . . ?
O2 Cl1 O4 108.1(8) . . ?
O2 Cl1 O3 109.2(13) . . ?
O2 Cl1 O1 113.9(13) . . ?
Cl01 C01 Cl02 114.1(8) . . ?
Cl04 C02 Cl03 114.3(8) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2b
_database_code_depnum_ccdc_archive 'CCDC 1975090'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2020-01-02 deposited with the CCDC.	2020-02-27 downloaded from the CCDC.
;
_audit_creation_date             2019-06-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C88.13 H84.13 Cu2 P6 Pt, 2(Cl O4), 1.95(C H2 Cl2)'
_chemical_formula_sum            'C90.08 H88.03 Cl5.90 Cu2 N0 O8 P6 Pt'
_chemical_formula_weight         2015.85
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   23.5015(16)
_cell_length_b                   18.2997(13)
_cell_length_c                   40.788(3)
_cell_angle_alpha                90
_cell_angle_beta                 93.288(3)
_cell_angle_gamma                90
_cell_volume                     17513(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9900
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.38
_cell_measurement_theta_min      2.49
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.420
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5327
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1018 before and 0.0528 after correction.
The Ratio of minimum to maximum transmission is 0.7148.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic greenish green'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   greenish
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8151
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_unetI/netI     0.0228
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            77403
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.392
_diffrn_reflns_theta_min         2.281
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14616
_reflns_number_total             15933
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.982
_refine_diff_density_min         -1.813
_refine_diff_density_rms         0.158
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1281
_refine_ls_number_reflns         15933
_refine_ls_number_restraints     1053
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0733
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0605P)²+506.5680P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1665
_refine_ls_wR_factor_ref         0.1705
_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. Shared sites
{C36', C40}
{C37', C39}
{C38', C38}
{C39', C37}
{C40', C36}
{C41', C41}
3. Restrained distances
 C2-C3 = C3-C4 = C4-C5 = C5-C6 = C6-C7 = C7-C2
 1.385 with sigma of 0.006
 C86-C87 = C87-C88 = C88-C89 = C89-C90 = C90-C91 = C91-C86
 1.385 with sigma of 0.006
 C03-Cl05 = C03-Cl06 = C03'-Cl5' = C03'-Cl6' = C03"-Cl5" = C03"-Cl6"
 1.765 with sigma of 0.008
 Cl05-Cl06 = Cl5'-Cl6' = Cl5"-Cl6"
 2.9 with sigma of 0.01
 C2-C4 \\sim C3-C5 \\sim C4-C6 \\sim C5-C7 \\sim C6-C2 \\sim C7-C3
 with sigma of 0.01
 C86-C88 \\sim C87-C89 \\sim C88-C90 \\sim C89-C91 \\sim C90-C86 \\sim C91-C87
 with sigma of 0.01
4. Restrained planarity
 C1, C2, C3, C4, C5, C6, C7
 with sigma of 0.01
 C85, C86, C87, C88, C89, C90, C91
 with sigma of 0.01
5. Rigid bond restraints
 C1, C2, C3, C4, C5, C6, C7
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C8, C9, C10, C11, C12, C13, C14
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C28, C29, C30, C31, C32, C33, C34
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C35, C36, C37, C38, C39, C40, C41
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C35', C36', C37', C38', C39', C40', C41'
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C42, C43, C44, C45, C46, C47, C48
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C49, C50, C51, C52, C53, C54, C55
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C56, C57, C58, C59, C60, C61
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C62, C63, C64, C65, C66, C67, C68
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C62', C63', C64', C65', C66', C67', C68'
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C85, C86, C87, C88, C89, C90, C91
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C85', C86', C87', C88', C89', C90', C91'
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 Cl2, O5, O6, O7, O8
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 Cl2', O5', O6', O7', O8'
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C03, Cl05, Cl06, C03', Cl5', Cl6', C03", Cl5", Cl6"
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
6. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7: within 2A with sigma
of 0.001 and sigma for terminal atoms of 0.002
C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01
C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33 \\sim C34: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01
C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01
C35' \\sim C36' \\sim C37' \\sim C38' \\sim C39' \\sim C40' \\sim C41': within
2A with sigma of 0.005 and sigma for terminal atoms of 0.01
C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C49 \\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C56 \\sim C57 \\sim C58 \\sim C59 \\sim C60 \\sim C61: within 2A with sigma of
0.005 and sigma for terminal atoms of 0.01
C62 \\sim C63 \\sim C64 \\sim C65 \\sim C66 \\sim C67 \\sim C68: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01
C62' \\sim C63' \\sim C64' \\sim C65' \\sim C66' \\sim C67' \\sim C68': within
2A with sigma of 0.005 and sigma for terminal atoms of 0.01
C85 \\sim C86 \\sim C87 \\sim C88 \\sim C89 \\sim C90 \\sim C91: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01
C85' \\sim C86' \\sim C87' \\sim C88' \\sim C89' \\sim C90' \\sim C91': within
2A with sigma of 0.005 and sigma for terminal atoms of 0.01
Cl2 \\sim O5 \\sim O6 \\sim O7 \\sim O8: within 2A with sigma of 0.005 and
sigma for terminal atoms of 0.01
Cl2' \\sim O5' \\sim O6' \\sim O7' \\sim O8': within 2A with sigma of 0.005 and
sigma for terminal atoms of 0.01
C03 \\sim Cl05 \\sim Cl06 \\sim C03' \\sim Cl5' \\sim Cl6' \\sim C03" \\sim
Cl5" \\sim Cl6": within 2A with sigma of 0.005 and sigma for terminal atoms of
0.01
Uanis(C36') = Uanis(C40)
Uanis(C37') = Uanis(C39)
Uanis(C38') = Uanis(C38)
Uanis(C39') = Uanis(C37)
Uanis(C40') = Uanis(C36)
Uanis(C41') = Uanis(C41)
7. Same fragment restrains
{C1, C2, C3, C4, C5, C6, C7} sigma for 1-2: 0.01, 1-3: 0.04
as
{C8, C9, C10, C11, C12, C13, C14}
{C1, C2, C3, C4, C5, C6, C7} sigma for 1-2: 0.01, 1-3: 0.04
as
{C62, C63, C64, C65, C66, C67, C68}
{C1, C2, C3, C4, C5, C6, C7} sigma for 1-2: 0.01, 1-3: 0.04
as
{C62', C63', C64', C65', C66', C67', C68'}
{Cl1, O1, O2, O3, O4} sigma for 1-2: 0.01, 1-3: 0.04
as
{Cl2, O5, O6, O7, O8}
{Cl1, O1, O2, O3, O4} sigma for 1-2: 0.01, 1-3: 0.04
as
{Cl2', O5', O6', O7', O8'}
8. Others
 1*[Sof(C03)+Sof(H03A)+Sof(H03B)+Sof(Cl05)+Sof(Cl06)]+1*[Sof(C03')+Sof(H03C)+
 Sof(H03D)+Sof(Cl5')+Sof(Cl6')]+1*[Sof(C03")+Sof(H03E)+Sof(H03F)+Sof(Cl5")+
 Sof(Cl6")]=1 with esd of 0.001
 Sof(C35')=Sof(H35D)=Sof(H35E)=Sof(H35F)=Sof(C36')=Sof(C37')=Sof(H37')=
 Sof(C38')=Sof(H38')=Sof(C39')=Sof(H39')=Sof(C40')=Sof(H40')=Sof(C41')=
 Sof(C85')=Sof(C86')=Sof(C87')=Sof(H87')=Sof(C88')=Sof(H88')=Sof(C89')=
 Sof(H89')=Sof(C90')=Sof(H90')=Sof(C91')=Sof(H91')=Sof(Cl2')=Sof(O5')=Sof(O6')=
 Sof(O7')=Sof(O8')=Sof(Cl03)=Sof(Cl04)=Sof(C02)=Sof(H02A)=Sof(H02B)=1-FVAR(1)
 Sof(C35)=Sof(H35A)=Sof(H35B)=Sof(H35C)=Sof(C36)=Sof(C37)=Sof(H37)=Sof(C38)=
 Sof(H38)=Sof(C39)=Sof(H39)=Sof(C40)=Sof(H40)=Sof(C41)=Sof(C85)=Sof(C86)=
 Sof(C87)=Sof(H87)=Sof(C88)=Sof(H88)=Sof(C89)=Sof(H89)=Sof(C90)=Sof(H90)=
 Sof(C91)=Sof(H91)=Sof(Cl2)=Sof(O5)=Sof(O6)=Sof(O7)=Sof(O8)=FVAR(1)
 Sof(C62)=Sof(H62A)=Sof(H62B)=Sof(H62C)=Sof(C63)=Sof(C64)=Sof(H64)=Sof(C65)=
 Sof(H65)=Sof(C66)=Sof(H66)=Sof(C67)=Sof(H67)=Sof(C68)=Sof(C62')=Sof(H62D)=
 Sof(H62E)=Sof(H62F)=Sof(C63')=Sof(C64')=Sof(H64')=Sof(C65')=Sof(H65')=
 Sof(C66')=Sof(H66')=Sof(C67')=Sof(H67')=Sof(C68')=1-FVAR(2)
 Sof(C03)=Sof(H03A)=Sof(H03B)=Sof(Cl05)=Sof(Cl06)=FVAR(3)
 Sof(C03')=Sof(H03C)=Sof(H03D)=Sof(Cl5')=Sof(Cl6')=FVAR(4)
 Sof(C03")=Sof(H03E)=Sof(H03F)=Sof(Cl5")=Sof(Cl6")=FVAR(5)
 Fixed Sof: H01A(0.5) H01B(0.5)
9.a Secondary CH2 refined with riding coordinates:
 C92(H92A,H92B), C93(H93A,H93B), C94(H94A,H94B), C95(H95A,H95B), C01(H01A,
 H01B), C02(H02A,H02B), C03(H03A,H03B), C03'(H03C,H03D), C03"(H03E,H03F)
9.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13),
 C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C30(H30), C31(H31), C32(H32),
  C33(H33), C37(H37), C38(H38), C39(H39), C40(H40), C37'(H37'), C38'(H38'),
 C39'(H39'), C40'(H40'), C44(H44), C45(H45), C46(H46), C47(H47), C51(H51),
 C52(H52), C53(H53), C54(H54), C56(H56), C57(H57), C58(H58), C59(H59), C60(H60),
  C64(H64), C65(H65), C66(H66), C67(H67), C64'(H64'), C65'(H65'), C66'(H66'),
 C67'(H67'), C71(H71), C72(H72), C73(H73), C74(H74), C79(H79), C80(H80),
 C81(H81), C82(H82), C83(H83), C87(H87), C88(H88), C89(H89), C90(H90), C91(H91),
  C87'(H87'), C88'(H88'), C89'(H89'), C90'(H90'), C91'(H91')
9.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C8(H8A,H8B,H8C), C28(H28A,H28B,H28C), C35(H35A,H35B,H35C),
 C35'(H35D,H35E,H35F), C42(H42A,H42B,H42C), C49(H49A,H49B,H49C), C62(H62A,H62B,
 H62C), C62'(H62D,H62E,H62F), C69(H69A,H69B,H69C)
;
_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 0.73237(2) 0.52339(2) 0.38605(2) 0.02765(10) Uani 1 1 d . . . . .
Cu1 Cu 0.80424(5) 0.41896(6) 0.36126(2) 0.0441(3) Uani 1 1 d . . . . .
Cu2 Cu 0.68956(4) 0.65949(5) 0.38200(3) 0.0352(2) Uani 1 1 d . . . . .
P1 P 0.89027(11) 0.4598(2) 0.37961(6) 0.0784(12) Uani 1 1 d . . . . .
P2 P 0.81241(7) 0.55647(10) 0.41786(5) 0.0247(4) Uani 1 1 d . . . . .
P3 P 0.76905(10) 0.71241(12) 0.40341(8) 0.0539(7) Uani 1 1 d . . . . .
P4 P 0.72929(13) 0.34806(11) 0.34642(5) 0.0466(6) Uani 1 1 d . . . . .
P5 P 0.65536(8) 0.48384(11) 0.35238(5) 0.0345(5) Uani 1 1 d . . . . .
P6 P 0.61642(10) 0.64065(14) 0.34530(8) 0.0565(8) Uani 1 1 d . . . . .
C1 C 0.9204(5) 0.3436(9) 0.3270(3) 0.178(3) Uani 1 1 d D U . . .
H1A H 0.879511 0.345872 0.324972 0.267 Uiso 1 1 calc GR . . . .
H1B H 0.932341 0.323375 0.347974 0.267 Uiso 1 1 calc GR . . . .
H1C H 0.933856 0.313238 0.309869 0.267 Uiso 1 1 calc GR . . . .
C2 C 0.9440(3) 0.4176(7) 0.3241(2) 0.177(3) Uani 1 1 d D U . . .
C3 C 0.9780(4) 0.4298(8) 0.2980(2) 0.177(3) Uani 1 1 d D U . . .
H3 H 0.984824 0.392086 0.283446 0.213 Uiso 1 1 calc R . . . .
C4 C 1.0017(4) 0.4978(8) 0.2936(2) 0.178(3) Uani 1 1 d D U . . .
H4 H 1.024413 0.505638 0.275994 0.213 Uiso 1 1 calc R . . . .
C5 C 0.9922(4) 0.5542(7) 0.3150(2) 0.178(3) Uani 1 1 d D U . . .
H5 H 1.008541 0.599837 0.311964 0.213 Uiso 1 1 calc R . . . .
C6 C 0.9581(4) 0.5425(8) 0.3411(2) 0.177(3) Uani 1 1 d D U . . .
H6 H 0.951406 0.580391 0.355606 0.213 Uiso 1 1 calc R . . . .
C7 C 0.9340(4) 0.4743(8) 0.3457(2) 0.177(3) Uani 1 1 d D U . . .
C8 C 0.8702(7) 0.3254(12) 0.4266(5) 0.213(7) Uani 1 1 d D U . . .
H8A H 0.843426 0.365016 0.425146 0.319 Uiso 1 1 calc GR . . . .
H8B H 0.868247 0.301476 0.447430 0.319 Uiso 1 1 calc GR . . . .
H8C H 0.861214 0.291050 0.409264 0.319 Uiso 1 1 calc GR . . . .
C9 C 0.9284(6) 0.3541(10) 0.4233(4) 0.201(7) Uani 1 1 d D U . . .
C10 C 0.9673(7) 0.3254(10) 0.4472(4) 0.206(7) Uani 1 1 d D U . . .
H10 H 0.956004 0.288281 0.460988 0.247 Uiso 1 1 calc R . . . .
C11 C 1.0218(7) 0.3515(11) 0.4503(5) 0.204(7) Uani 1 1 d D U . . .
H11 H 1.049025 0.325679 0.463053 0.245 Uiso 1 1 calc R . . . .
C12 C 1.0373(6) 0.4148(11) 0.4352(5) 0.197(7) Uani 1 1 d D U . . .
H12 H 1.073686 0.434176 0.438935 0.236 Uiso 1 1 calc R . . . .
C13 C 0.9975(6) 0.4487(9) 0.4143(4) 0.191(7) Uani 1 1 d D U . . .
H13 H 1.007234 0.491492 0.403722 0.229 Uiso 1 1 calc R . . . .
C14 C 0.9424(6) 0.4199(10) 0.4088(4) 0.190(7) Uani 1 1 d D U . . .
C15 C 0.8305(5) 0.5047(5) 0.4547(2) 0.047(2) Uani 1 1 d . . . . .
C16 C 0.8838(5) 0.5161(6) 0.4710(2) 0.057(3) Uani 1 1 d . . . . .
H16 H 0.908649 0.551137 0.463478 0.069 Uiso 1 1 calc R . . . .
C17 C 0.8990(9) 0.4745(7) 0.4985(3) 0.106(6) Uani 1 1 d . . . . .
H17 H 0.934662 0.480507 0.509269 0.127 Uiso 1 1 calc R . . . .
C18 C 0.8617(13) 0.4247(7) 0.5099(4) 0.191(14) Uani 1 1 d . . . . .
H18 H 0.871530 0.398785 0.529062 0.229 Uiso 1 1 calc R . . . .
C19 C 0.8113(12) 0.4125(9) 0.4940(3) 0.194(14) Uani 1 1 d . . . . .
H19 H 0.786386 0.378077 0.501886 0.233 Uiso 1 1 calc R . . . .
C20 C 0.7968(7) 0.4510(7) 0.4663(3) 0.114(7) Uani 1 1 d . . . . .
H20 H 0.762557 0.440281 0.454789 0.137 Uiso 1 1 calc R . . . .
C28 C 0.7467(6) 0.7833(10) 0.3328(4) 0.111(4) Uani 1 1 d . U . . .
H28A H 0.731174 0.816915 0.348010 0.166 Uiso 1 1 calc GR . . . .
H28B H 0.724973 0.738933 0.332299 0.166 Uiso 1 1 calc GR . . . .
H28C H 0.745186 0.804757 0.311291 0.166 Uiso 1 1 calc GR . . . .
C29 C 0.8068(5) 0.7670(8) 0.3434(4) 0.095(3) Uani 1 1 d . U . . .
C30 C 0.8489(6) 0.7846(8) 0.3224(4) 0.101(3) Uani 1 1 d . U . . .
H30 H 0.838678 0.804214 0.301842 0.121 Uiso 1 1 calc R . . . .
C31 C 0.9039(6) 0.7742(8) 0.3309(5) 0.107(3) Uani 1 1 d . U . . .
H31 H 0.931061 0.788477 0.316529 0.128 Uiso 1 1 calc R . . . .
C32 C 0.9209(6) 0.7442(9) 0.3592(5) 0.112(3) Uani 1 1 d . U . . .
H32 H 0.959190 0.734958 0.364519 0.134 Uiso 1 1 calc R . . . .
C33 C 0.8791(5) 0.7269(6) 0.3807(4) 0.105(3) Uani 1 1 d . U . . .
H33 H 0.890665 0.707232 0.400997 0.126 Uiso 1 1 calc R . . . .
C34 C 0.8221(5) 0.7371(7) 0.3738(4) 0.094(3) Uani 1 1 d . U . . .
C35 C 0.6701(10) 0.7223(11) 0.4591(6) 0.074(4) Uani 0.548(4) 1 d . U . A 1
H35A H 0.653677 0.701888 0.439031 0.110 Uiso 0.548(4) 1 calc GR . . A 1
H35B H 0.640325 0.735209 0.473155 0.110 Uiso 0.548(4) 1 calc GR . . A 1
H35C H 0.694839 0.686966 0.469917 0.110 Uiso 0.548(4) 1 calc GR . . A 1
C36 C 0.7036(6) 0.7890(7) 0.4515(4) 0.0837(19) Uani 0.548(4) 1 d . U . A 1
C37 C 0.6922(6) 0.8512(7) 0.4695(4) 0.0843(19) Uani 0.548(4) 1 d . U . A 1
H37 H 0.661266 0.851817 0.482732 0.101 Uiso 0.548(4) 1 calc R . . A 1
C38 C 0.7248(6) 0.9089(7) 0.4680(4) 0.0827(19) Uani 0.548(4) 1 d . U . A 1
H38 H 0.714154 0.949973 0.479581 0.099 Uiso 0.548(4) 1 calc R . . A 1
C39 C 0.7733(6) 0.9145(7) 0.4508(4) 0.0804(19) Uani 0.548(4) 1 d . U . A 1
H39 H 0.795957 0.956242 0.451749 0.096 Uiso 0.548(4) 1 calc R . . A 1
C40 C 0.7872(6) 0.8508(6) 0.4308(4) 0.0794(18) Uani 0.548(4) 1 d . U . A 1
H40 H 0.819617 0.851126 0.418685 0.095 Uiso 0.548(4) 1 calc R . . A 1
C41 C 0.7531(6) 0.7926(6) 0.4301(4) 0.0785(18) Uani 0.548(4) 1 d . U . A 1
C35' C 0.8477(12) 0.8629(13) 0.4286(7) 0.092(4) Uani 0.452(4) 1 d . U . A 2
H35D H 0.868448 0.832962 0.444454 0.137 Uiso 0.452(4) 1 calc GR . . A 2
H35E H 0.856284 0.913438 0.432888 0.137 Uiso 0.452(4) 1 calc GR . . A 2
H35F H 0.858532 0.850464 0.406937 0.137 Uiso 0.452(4) 1 calc GR . . A 2
C36' C 0.7872(6) 0.8508(6) 0.4308(4) 0.0794(18) Uani 0.452(4) 1 d . U . A 2
C37' C 0.7733(6) 0.9145(7) 0.4508(4) 0.0804(19) Uani 0.452(4) 1 d . U . A 2
H37' H 0.795957 0.956242 0.451749 0.096 Uiso 0.452(4) 1 calc R . . A 2
C38' C 0.7248(6) 0.9089(7) 0.4680(4) 0.0827(19) Uani 0.452(4) 1 d . U . A 2
H38' H 0.714154 0.949973 0.479581 0.099 Uiso 0.452(4) 1 calc R . . A 2
C39' C 0.6922(6) 0.8512(7) 0.4695(4) 0.0843(19) Uani 0.452(4) 1 d . U . A 2
H39' H 0.661266 0.851817 0.482732 0.101 Uiso 0.452(4) 1 calc R . . A 2
C40' C 0.7036(6) 0.7890(7) 0.4515(4) 0.0837(19) Uani 0.452(4) 1 d . U . A 2
H40' H 0.681478 0.747013 0.452753 0.100 Uiso 0.452(4) 1 calc R . . A 2
C41' C 0.7531(6) 0.7926(6) 0.4301(4) 0.0785(18) Uani 0.452(4) 1 d . U . A 2
C42 C 0.8033(8) 0.2099(8) 0.3595(3) 0.129(6) Uani 1 1 d . U . . .
H42A H 0.775264 0.213537 0.375624 0.193 Uiso 1 1 calc GR . . . .
H42B H 0.830655 0.248471 0.362746 0.193 Uiso 1 1 calc GR . . . .
H42C H 0.822235 0.163510 0.361575 0.193 Uiso 1 1 calc GR . . . .
C43 C 0.7748(7) 0.2162(6) 0.3260(3) 0.082(3) Uani 1 1 d . U . . .
C44 C 0.7857(6) 0.1639(6) 0.3023(3) 0.083(3) Uani 1 1 d . U . . .
H44 H 0.809351 0.124599 0.308003 0.099 Uiso 1 1 calc R . . . .
C45 C 0.7628(6) 0.1687(6) 0.2709(3) 0.073(3) Uani 1 1 d . U . . .
H45 H 0.769765 0.132230 0.255811 0.087 Uiso 1 1 calc R . . . .
C46 C 0.7295(5) 0.2273(6) 0.2618(2) 0.058(2) Uani 1 1 d . U . . .
H46 H 0.714215 0.230911 0.240283 0.070 Uiso 1 1 calc R . . . .
C47 C 0.7184(4) 0.2817(5) 0.2846(2) 0.0471(19) Uani 1 1 d . U . . .
H47 H 0.695985 0.321709 0.278144 0.057 Uiso 1 1 calc R . . . .
C48 C 0.7402(5) 0.2765(5) 0.3164(2) 0.058(2) Uani 1 1 d . U . . .
C49 C 0.6140(9) 0.2462(8) 0.3467(3) 0.124(5) Uani 1 1 d . U . . .
H49A H 0.640134 0.237753 0.329880 0.186 Uiso 1 1 calc GR . . . .
H49B H 0.589589 0.286529 0.340577 0.186 Uiso 1 1 calc GR . . . .
H49C H 0.591389 0.203203 0.349499 0.186 Uiso 1 1 calc GR . . . .
C50 C 0.6469(10) 0.2636(7) 0.3785(3) 0.125(4) Uani 1 1 d . U . . .
C51 C 0.6251(10) 0.2380(8) 0.4079(3) 0.139(4) Uani 1 1 d . U . . .
H51 H 0.591972 0.210129 0.406900 0.167 Uiso 1 1 calc R . . . .
C52 C 0.6520(11) 0.2535(8) 0.4383(3) 0.144(4) Uani 1 1 d . U . . .
H52 H 0.638174 0.233833 0.457280 0.173 Uiso 1 1 calc R . . . .
C53 C 0.6983(10) 0.2973(7) 0.4402(3) 0.135(4) Uani 1 1 d . U . . .
H53 H 0.714724 0.310772 0.460560 0.162 Uiso 1 1 calc R . . . .
C54 C 0.7213(9) 0.3222(6) 0.4117(3) 0.122(4) Uani 1 1 d . U . . .
H54 H 0.755058 0.348755 0.413138 0.147 Uiso 1 1 calc R . . . .
C55 C 0.6947(7) 0.3080(5) 0.3810(3) 0.115(4) Uani 1 1 d . U . . .
C56 C 0.5410(4) 0.4439(8) 0.3495(3) 0.099(3) Uani 1 1 d . U . . .
H56 H 0.540510 0.458409 0.327594 0.119 Uiso 1 1 calc R . . . .
C57 C 0.4923(5) 0.4178(11) 0.3623(3) 0.108(3) Uani 1 1 d . U . . .
H57 H 0.458646 0.415419 0.349161 0.130 Uiso 1 1 calc R . . . .
C58 C 0.4931(5) 0.3956(11) 0.3937(3) 0.116(3) Uani 1 1 d . U . . .
H58 H 0.459378 0.380120 0.402345 0.139 Uiso 1 1 calc R . . . .
C59 C 0.5419(5) 0.3952(11) 0.4130(3) 0.114(3) Uani 1 1 d . U . . .
H59 H 0.542108 0.376194 0.434159 0.137 Uiso 1 1 calc R . . . .
C60 C 0.5918(5) 0.4234(10) 0.4011(3) 0.105(3) Uani 1 1 d . U . . .
H60 H 0.625043 0.424940 0.414636 0.127 Uiso 1 1 calc R . . . .
C61 C 0.5921(4) 0.4487(8) 0.3696(3) 0.096(3) Uani 1 1 d . U . . .
C62 C 0.4951(5) 0.6255(9) 0.2968(3) 0.040(3) Uani 0.509(7) 1 d D U . B 1
H62A H 0.502355 0.671954 0.286920 0.059 Uiso 0.509(7) 1 calc GR . . B 1
H62B H 0.458199 0.608132 0.288947 0.059 Uiso 0.509(7) 1 calc GR . . B 1
H62C H 0.523681 0.591106 0.290942 0.059 Uiso 0.509(7) 1 calc GR . . B 1
C63 C 0.4966(5) 0.6335(10) 0.3329(3) 0.038(2) Uani 0.509(7) 1 d D U . B 1
C64 C 0.4438(5) 0.6307(9) 0.3467(3) 0.040(2) Uani 0.509(7) 1 d D U . B 1
H64 H 0.410827 0.624206 0.333348 0.048 Uiso 0.509(7) 1 calc R . . B 1
C65 C 0.4403(5) 0.6376(10) 0.3801(3) 0.041(2) Uani 0.509(7) 1 d D U . B 1
H65 H 0.404583 0.636053 0.388855 0.050 Uiso 0.509(7) 1 calc R . . B 1
C66 C 0.4876(5) 0.6467(9) 0.4010(3) 0.040(2) Uani 0.509(7) 1 d D U . B 1
H66 H 0.484372 0.651613 0.423487 0.048 Uiso 0.509(7) 1 calc R . . B 1
C67 C 0.5404(5) 0.6485(9) 0.3876(3) 0.037(2) Uani 0.509(7) 1 d D U . B 1
H67 H 0.573007 0.655945 0.401199 0.044 Uiso 0.509(7) 1 calc R . . B 1
C68 C 0.5450(4) 0.6390(8) 0.3538(3) 0.035(2) Uani 0.509(7) 1 d D U . B 1
C62' C 0.4834(8) 0.6214(12) 0.3164(4) 0.056(4) Uani 0.509(7) 1 d D U . B 2
H62D H 0.509444 0.591728 0.304973 0.084 Uiso 0.509(7) 1 calc GR . . B 2
H62E H 0.489344 0.671934 0.311285 0.084 Uiso 0.509(7) 1 calc GR . . B 2
H62F H 0.444964 0.607895 0.309830 0.084 Uiso 0.509(7) 1 calc GR . . B 2
C63' C 0.4933(5) 0.6102(9) 0.3521(3) 0.055(3) Uani 0.509(7) 1 d D U . B 2
C64' C 0.4464(5) 0.5876(12) 0.3689(4) 0.059(3) Uani 0.509(7) 1 d D U . B 2
H64' H 0.410778 0.584328 0.357889 0.070 Uiso 0.509(7) 1 calc R . . B 2
C65' C 0.4524(6) 0.5700(12) 0.4017(4) 0.060(3) Uani 0.509(7) 1 d D U . B 2
H65' H 0.420831 0.553499 0.412291 0.072 Uiso 0.509(7) 1 calc R . . B 2
C66' C 0.5038(6) 0.5764(11) 0.4192(3) 0.059(3) Uani 0.509(7) 1 d D U . B 2
H66' H 0.507292 0.564417 0.441359 0.071 Uiso 0.509(7) 1 calc R . . B 2
C67' C 0.5503(5) 0.6008(9) 0.4031(3) 0.056(3) Uani 0.509(7) 1 d D U . B 2
H67' H 0.585254 0.606321 0.414682 0.067 Uiso 0.509(7) 1 calc R . . B 2
C68' C 0.5454(5) 0.6174(8) 0.3696(3) 0.053(3) Uani 0.509(7) 1 d D U . B 2
C69 C 0.5902(6) 0.8056(7) 0.3587(4) 0.123(8) Uani 1 1 d . . . . .
H69A H 0.620881 0.787552 0.373021 0.184 Uiso 1 1 calc GR . . . .
H69B H 0.554944 0.784560 0.364779 0.184 Uiso 1 1 calc GR . . . .
H69C H 0.588290 0.857794 0.360429 0.184 Uiso 1 1 calc GR . . . .
C70 C 0.6007(6) 0.7846(7) 0.3236(4) 0.106(6) Uani 1 1 d . . . . .
C71 C 0.6002(9) 0.8366(8) 0.3008(6) 0.152(11) Uani 1 1 d . . . . .
H71 H 0.593037 0.884504 0.306897 0.182 Uiso 1 1 calc R . . . .
C72 C 0.6099(10) 0.8224(8) 0.2687(5) 0.155(11) Uani 1 1 d . . . . .
H72 H 0.610364 0.860446 0.253592 0.186 Uiso 1 1 calc R . . . .
C73 C 0.6189(8) 0.7516(8) 0.2587(4) 0.121(7) Uani 1 1 d . . . . .
H73 H 0.624705 0.741249 0.236797 0.146 Uiso 1 1 calc R . . . .
C74 C 0.6190(5) 0.6969(6) 0.2816(3) 0.089(5) Uani 1 1 d . . . . .
H74 H 0.623949 0.648588 0.275189 0.106 Uiso 1 1 calc R . . . .
C75 C 0.6121(4) 0.7130(6) 0.3134(3) 0.079(4) Uani 1 1 d . . . . .
C76 C 0.7732(3) 0.5243(5) 0.3439(2) 0.0353(18) Uani 1 1 d . . . . .
C77 C 0.7928(3) 0.5306(5) 0.3171(2) 0.0393(19) Uani 1 1 d . . . . .
C78 C 0.8152(4) 0.5358(5) 0.2850(2) 0.045(2) Uani 1 1 d . . . . .
C79 C 0.7963(5) 0.4890(7) 0.2599(3) 0.073(4) Uani 1 1 d . . . . .
H79 H 0.770202 0.452387 0.264005 0.088 Uiso 1 1 calc R . . . .
C80 C 0.8160(6) 0.4967(9) 0.2289(3) 0.089(5) Uani 1 1 d . . . . .
H80 H 0.801659 0.466597 0.211975 0.107 Uiso 1 1 calc R . . . .
C81 C 0.8553(6) 0.5464(8) 0.2227(3) 0.077(4) Uani 1 1 d . . . . .
H81 H 0.869444 0.549264 0.201921 0.092 Uiso 1 1 calc R . . . .
C82 C 0.8746(5) 0.5928(7) 0.2466(3) 0.071(3) Uani 1 1 d . . . . .
H82 H 0.901172 0.628374 0.241858 0.085 Uiso 1 1 calc R . . . .
C83 C 0.8555(5) 0.5882(6) 0.2781(2) 0.059(3) Uani 1 1 d . . . . .
H83 H 0.869595 0.619870 0.294389 0.071 Uiso 1 1 calc R . . . .
C84 C 0.6897(5) 0.5388(10) 0.4255(4) 0.119(8) Uani 1 1 d . . . . .
C85 C 0.6687(5) 0.5188(8) 0.4558(4) 0.045(3) Uani 0.548(4) 1 d . U . A 1
C86 C 0.6409(3) 0.5066(6) 0.4865(2) 0.048(2) Uani 0.548(4) 1 d D U . A 1
C87 C 0.6484(5) 0.4414(6) 0.5035(3) 0.051(2) Uani 0.548(4) 1 d D U . A 1
H87 H 0.671247 0.404805 0.495419 0.061 Uiso 0.548(4) 1 calc R . . A 1
C88 C 0.6217(5) 0.4308(6) 0.5326(3) 0.052(2) Uani 0.548(4) 1 d D U . A 1
H88 H 0.626735 0.387066 0.544047 0.063 Uiso 0.548(4) 1 calc R . . A 1
C89 C 0.5876(5) 0.4852(6) 0.5446(2) 0.053(2) Uani 0.548(4) 1 d D U . A 1
H89 H 0.569749 0.477957 0.564123 0.064 Uiso 0.548(4) 1 calc R . . A 1
C90 C 0.5801(5) 0.5503(6) 0.5276(3) 0.052(2) Uani 0.548(4) 1 d D U . A 1
H90 H 0.557201 0.586837 0.535683 0.062 Uiso 0.548(4) 1 calc R . . A 1
C91 C 0.6069(5) 0.5611(5) 0.4986(3) 0.050(2) Uani 0.548(4) 1 d D U . A 1
H91 H 0.602018 0.604874 0.487205 0.060 Uiso 0.548(4) 1 calc R . . A 1
C85' C 0.6575(8) 0.5834(12) 0.4419(5) 0.046(3) Uani 0.452(4) 1 d . U . A 2
C86' C 0.6224(9) 0.6154(12) 0.4658(5) 0.049(2) Uani 0.452(4) 1 d . U . A 2
C87' C 0.5684(9) 0.5909(12) 0.4697(5) 0.050(3) Uani 0.452(4) 1 d . U . A 2
H87' H 0.552952 0.555190 0.455672 0.060 Uiso 0.452(4) 1 calc R . . A 2
C88' C 0.5357(9) 0.6189(12) 0.4948(5) 0.051(3) Uani 0.452(4) 1 d . U . A 2
H88' H 0.502060 0.595365 0.499477 0.062 Uiso 0.452(4) 1 calc R . . A 2
C89' C 0.5509(9) 0.6753(13) 0.5112(6) 0.054(3) Uani 0.452(4) 1 d . U . A 2
H89' H 0.525808 0.697582 0.524951 0.064 Uiso 0.452(4) 1 calc R . . A 2
C90' C 0.6059(9) 0.7035(13) 0.5084(6) 0.055(3) Uani 0.452(4) 1 d . U . A 2
H90' H 0.618924 0.741868 0.521839 0.065 Uiso 0.452(4) 1 calc R . . A 2
C91' C 0.6403(9) 0.6744(13) 0.4859(5) 0.053(3) Uani 0.452(4) 1 d . U . A 2
H91' H 0.676462 0.693980 0.483865 0.063 Uiso 0.452(4) 1 calc R . . A 2
C92 C 0.6762(3) 0.4091(4) 0.32558(19) 0.0329(17) Uani 1 1 d . . . . .
H92A H 0.692001 0.429392 0.306108 0.039 Uiso 1 1 calc R . . . .
H92B H 0.642690 0.380893 0.318655 0.039 Uiso 1 1 calc R . . . .
C93 C 0.6334(3) 0.5561(5) 0.3237(2) 0.042(2) Uani 1 1 d . . . . .
H93A H 0.600183 0.540220 0.310388 0.050 Uiso 1 1 calc R . . . .
H93B H 0.663812 0.565582 0.309163 0.050 Uiso 1 1 calc R . . . .
C94 C 0.8765(3) 0.5509(6) 0.3959(2) 0.047(2) Uani 1 1 d . . . . .
H94A H 0.908596 0.565287 0.410527 0.057 Uiso 1 1 calc R . . . .
H94B H 0.873887 0.585476 0.377851 0.057 Uiso 1 1 calc R . . . .
C95 C 0.8054(4) 0.6502(4) 0.4329(2) 0.044(2) Uani 1 1 d . . . . .
H95A H 0.843185 0.669344 0.438725 0.052 Uiso 1 1 calc R . . . .
H95B H 0.784589 0.649193 0.452790 0.052 Uiso 1 1 calc R . . . .
Cl1 Cl 0.38403(12) 0.46943(12) 0.26341(6) 0.0529(6) Uani 1 1 d D . . . .
O1 O 0.3381(3) 0.4203(4) 0.2597(2) 0.079(2) Uani 1 1 d D . . . .
O2 O 0.3671(4) 0.5424(4) 0.2666(3) 0.092(3) Uani 1 1 d D . . . .
O3 O 0.4197(4) 0.4628(5) 0.23608(18) 0.080(3) Uani 1 1 d D . . . .
O4 O 0.4184(3) 0.4479(5) 0.29205(17) 0.074(2) Uani 1 1 d D . . . .
Cl2 Cl 0.47737(16) 0.2197(2) 0.46578(10) 0.0476(10) Uani 0.548(4) 1 d D U . A 1
O5 O 0.4781(5) 0.2850(6) 0.4471(3) 0.062(3) Uani 0.548(4) 1 d D U . A 1
O6 O 0.4241(4) 0.2092(7) 0.4794(3) 0.058(3) Uani 0.548(4) 1 d D U . A 1
O7 O 0.5238(4) 0.2202(8) 0.4897(3) 0.066(3) Uani 0.548(4) 1 d D U . A 1
O8 O 0.4872(7) 0.1611(8) 0.4436(4) 0.053(3) Uani 0.548(4) 1 d D U . A 1
Cl2' Cl 0.5023(3) 0.1514(4) 0.44127(17) 0.0470(15) Uani 0.452(4) 1 d D U . A 2
O5' O 0.5084(5) 0.1485(8) 0.4070(2) 0.057(3) Uani 0.452(4) 1 d D U . A 2
O6' O 0.5034(6) 0.0807(6) 0.4552(4) 0.062(3) Uani 0.452(4) 1 d D U . A 2
O7' O 0.5444(5) 0.1972(7) 0.4570(3) 0.050(3) Uani 0.452(4) 1 d D U . A 2
O8' O 0.4471(4) 0.1817(8) 0.4462(3) 0.056(3) Uani 0.452(4) 1 d D U . A 2
Cl01 Cl 0.5525(2) 0.2774(2) 0.26778(14) 0.1225(17) Uani 1 1 d . . . . .
C01 C 0.500000 0.3318(7) 0.250000 0.054(3) Uani 1 2 d S T P . .
H01A H 0.484291 0.362814 0.266508 0.065 Uiso 0.5 1 calc R . . . .
H01B H 0.515708 0.362812 0.233492 0.065 Uiso 0.5 1 calc R . . . .
Cl03 Cl 0.3962(5) 0.5621(5) 0.4926(2) 0.108(3) Uani 0.452(4) 1 d . . . A 2
Cl04 Cl 0.3365(4) 0.6823(7) 0.4609(3) 0.140(5) Uani 0.452(4) 1 d . . . A 2
C02 C 0.4001(12) 0.6508(15) 0.4789(8) 0.080(8) Uani 0.452(4) 1 d . . . A 2
H02A H 0.429269 0.653970 0.463024 0.096 Uiso 0.452(4) 1 calc R . . A 2
H02B H 0.411506 0.682213 0.497241 0.096 Uiso 0.452(4) 1 calc R . . A 2
C03 C 1.2804(10) 0.527(3) 0.3886(10) 0.205(6) Uani 0.412(9) 1 d D U . C 1
H03A H 1.285467 0.509990 0.411189 0.246 Uiso 0.412(9) 1 calc R . . C 1
H03B H 1.286281 0.579050 0.388318 0.246 Uiso 0.412(9) 1 calc R . . C 1
Cl05 Cl 1.3305(7) 0.4832(9) 0.3645(5) 0.196(5) Uani 0.412(9) 1 d D U . C 1
Cl06 Cl 1.2107(8) 0.5060(12) 0.3730(6) 0.214(5) Uani 0.412(9) 1 d D U . C 1
C03' C 1.200(3) 0.567(5) 0.3725(7) 0.214(5) Uani 0.285(9) 1 d D U . D 2
H03C H 1.202406 0.614344 0.362133 0.257 Uiso 0.285(9) 1 calc R . . D 2
H03D H 1.165171 0.543277 0.363832 0.257 Uiso 0.285(9) 1 calc R . . D 2
Cl5' Cl 1.2596(15) 0.5131(15) 0.3637(7) 0.208(5) Uani 0.285(9) 1 d D U . D 2
Cl6' Cl 1.1970(13) 0.5780(16) 0.4154(7) 0.219(6) Uani 0.285(9) 1 d D U . D 2
C03" C 1.2039(10) 0.5159(13) 0.3561(7) 0.213(5) Uani 0.303(8) 1 d D U . E 3
H03E H 1.196244 0.538158 0.334739 0.256 Uiso 0.303(8) 1 calc R . . E 3
H03F H 1.235497 0.541806 0.367175 0.256 Uiso 0.303(8) 1 calc R . . E 3
Cl5" Cl 1.2224(11) 0.4232(13) 0.3512(7) 0.208(5) Uani 0.303(8) 1 d D U . E 3
Cl6" Cl 1.1429(13) 0.5238(14) 0.3793(8) 0.216(5) Uani 0.303(8) 1 d D U . E 3


_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 Cu1 2.7789(10) . ?
Pt1 Cu2 2.6877(10) . ?
Pt1 P2 2.3042(19) . ?
Pt1 P5 2.324(2) . ?
Pt1 C76 2.015(8) . ?
Pt1 C84 1.964(11) . ?
Cu1 P1 2.243(3) . ?
Cu1 P4 2.243(3) . ?
Cu1 C76 2.165(8) . ?
Cu2 P3 2.237(2) . ?
Cu2 P6 2.240(3) . ?
P1 C7 1.791(9) . ?
P1 C14 1.810(13) . ?
P1 C94 1.831(10) . ?
P2 C15 1.806(9) . ?
P2 C94 1.799(8) . ?
P2 C95 1.833(8) . ?
P3 C34 1.841(15) . ?
P3 C41 1.877(13) . ?
P3 C41' 1.877(13) . ?
P3 C95 1.833(8) . ?
P4 C48 1.821(9) . ?
P4 C55 1.821(11) . ?
P4 C92 1.845(8) . ?
P5 C61 1.799(10) . ?
P5 C92 1.835(7) . ?
P5 C93 1.820(10) . ?
P6 C68 1.733(11) . ?
P6 C68' 2.034(13) . ?
P6 C75 1.856(14) . ?
P6 C93 1.835(8) . ?
C1 C2 1.470(14) . ?
C2 C3 1.386(5) . ?
C2 C7 1.389(5) . ?
C3 C4 1.380(5) . ?
C4 C5 1.380(5) . ?
C5 C6 1.385(5) . ?
C6 C7 1.388(5) . ?
C8 C9 1.477(14) . ?
C9 C10 1.399(10) . ?
C9 C14 1.391(10) . ?
C10 C11 1.365(10) . ?
C11 C12 1.372(10) . ?
C12 C13 1.377(9) . ?
C13 C14 1.404(10) . ?
C15 C16 1.401(15) . ?
C15 C20 1.363(14) . ?
C16 C17 1.388(14) . ?
C17 C18 1.36(3) . ?
C18 C19 1.34(3) . ?
C19 C20 1.359(18) . ?
C28 C29 1.481(17) . ?
C29 C30 1.38(2) . ?
C29 C34 1.387(19) . ?
C30 C31 1.332(18) . ?
C31 C32 1.32(2) . ?
C32 C33 1.390(19) . ?
C33 C34 1.365(16) . ?
C35 C36 1.49(3) . ?
C36 C37 1.389(18) . ?
C36 C41 1.50(2) . ?
C37 C38 1.308(18) . ?
C38 C39 1.376(19) . ?
C39 C40 1.472(17) . ?
C40 C41 1.332(17) . ?
C35' C36' 1.45(3) . ?
C36' C37' 1.472(17) . ?
C36' C41' 1.332(17) . ?
C37' C38' 1.376(19) . ?
C38' C39' 1.308(18) . ?
C39' C40' 1.389(18) . ?
C40' C41' 1.50(2) . ?
C42 C43 1.489(16) . ?
C43 C44 1.398(14) . ?
C43 C48 1.412(14) . ?
C44 C45 1.360(16) . ?
C45 C46 1.366(14) . ?
C46 C47 1.399(12) . ?
C47 C48 1.371(13) . ?
C49 C50 1.50(2) . ?
C50 C51 1.410(17) . ?
C50 C55 1.39(2) . ?
C51 C52 1.39(2) . ?
C52 C53 1.35(2) . ?
C53 C54 1.386(18) . ?
C54 C55 1.391(18) . ?
C56 C57 1.371(14) . ?
C56 C61 1.417(15) . ?
C57 C58 1.34(2) . ?
C58 C59 1.354(19) . ?
C59 C60 1.394(15) . ?
C60 C61 1.368(18) . ?
C62 C63 1.478(14) . ?
C63 C64 1.395(9) . ?
C63 C68 1.387(9) . ?
C64 C65 1.375(10) . ?
C65 C66 1.372(10) . ?
C66 C67 1.382(9) . ?
C67 C68 1.400(10) . ?
C62' C63' 1.473(14) . ?
C63' C64' 1.394(10) . ?
C63' C68' 1.390(10) . ?
C64' C65' 1.374(10) . ?
C65' C66' 1.372(10) . ?
C66' C67' 1.380(10) . ?
C67' C68' 1.397(10) . ?
C69 C70 1.52(2) . ?
C70 C71 1.33(3) . ?
C70 C75 1.406(14) . ?
C71 C72 1.37(3) . ?
C72 C73 1.38(2) . ?
C73 C74 1.37(2) . ?
C74 C75 1.350(19) . ?
C76 C77 1.217(12) . ?
C77 C78 1.441(12) . ?
C78 C79 1.387(14) . ?
C78 C83 1.389(12) . ?
C79 C80 1.380(16) . ?
C80 C81 1.330(18) . ?
C81 C82 1.351(17) . ?
C82 C83 1.386(14) . ?
C84 C85 1.41(2) . ?
C84 C85' 1.32(2) . ?
C85 C86 1.461(17) . ?
C86 C87 1.387(6) . ?
C86 C91 1.385(6) . ?
C87 C88 1.387(6) . ?
C88 C89 1.385(6) . ?
C89 C90 1.386(6) . ?
C90 C91 1.387(6) . ?
C85' C86' 1.44(3) . ?
C86' C87' 1.36(3) . ?
C86' C91' 1.41(3) . ?
C87' C88' 1.41(3) . ?
C88' C89' 1.27(3) . ?
C89' C90' 1.40(3) . ?
C90' C91' 1.37(3) . ?
Cl1 O1 1.406(7) . ?
Cl1 O2 1.401(7) . ?
Cl1 O3 1.438(7) . ?
Cl1 O4 1.437(7) . ?
Cl2 O5 1.417(8) . ?
Cl2 O6 1.411(8) . ?
Cl2 O7 1.420(8) . ?
Cl2 O8 1.429(9) . ?
Cl2' O5' 1.414(9) . ?
Cl2' O6' 1.412(9) . ?
Cl2' O7' 1.422(9) . ?
Cl2' O8' 1.436(9) . ?
Cl01 C01 1.715(8) . ?
Cl03 C02 1.72(3) . ?
Cl04 C02 1.73(3) . ?
C03 Cl05 1.766(8) . ?
C03 Cl06 1.764(8) . ?
C03' Cl5' 1.771(8) . ?
C03' Cl6' 1.765(8) . ?
C03" Cl5" 1.766(8) . ?
C03" Cl6" 1.767(8) . ?

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
Cu2 Pt1 Cu1 148.01(4) . . ?
P2 Pt1 Cu1 83.80(5) . . ?
P2 Pt1 Cu2 94.69(5) . . ?
P2 Pt1 P5 176.08(7) . . ?
P5 Pt1 Cu1 92.29(5) . . ?
P5 Pt1 Cu2 88.64(6) . . ?
C76 Pt1 Cu1 50.7(2) . . ?
C76 Pt1 Cu2 97.8(2) . . ?
C76 Pt1 P2 93.7(2) . . ?
C76 Pt1 P5 83.8(2) . . ?
C84 Pt1 Cu1 138.3(6) . . ?
C84 Pt1 Cu2 73.2(6) . . ?
C84 Pt1 P2 86.5(3) . . ?
C84 Pt1 P5 96.4(3) . . ?
C84 Pt1 C76 170.9(7) . . ?
P1 Cu1 Pt1 101.80(8) . . ?
P4 Cu1 Pt1 90.67(7) . . ?
P4 Cu1 P1 164.06(13) . . ?
C76 Cu1 Pt1 46.1(2) . . ?
C76 Cu1 P1 95.3(2) . . ?
C76 Cu1 P4 100.5(2) . . ?
P3 Cu2 Pt1 94.35(6) . . ?
P3 Cu2 P6 156.80(13) . . ?
P6 Cu2 Pt1 99.70(7) . . ?
C7 P1 Cu1 109.7(3) . . ?
C7 P1 C14 99.8(7) . . ?
C7 P1 C94 105.5(6) . . ?
C14 P1 Cu1 130.3(6) . . ?
C14 P1 C94 104.8(6) . . ?
C94 P1 Cu1 104.5(3) . . ?
C15 P2 Pt1 118.4(3) . . ?
C15 P2 C95 103.5(4) . . ?
C94 P2 Pt1 112.6(3) . . ?
C94 P2 C15 102.7(5) . . ?
C94 P2 C95 108.3(4) . . ?
C95 P2 Pt1 110.4(3) . . ?
C34 P3 Cu2 115.6(4) . . ?
C34 P3 C41 110.7(6) . . ?
C34 P3 C41' 110.7(6) . . ?
C41 P3 Cu2 112.0(4) . . ?
C41' P3 Cu2 112.0(4) . . ?
C95 P3 Cu2 109.6(3) . . ?
C95 P3 C34 106.0(5) . . ?
C95 P3 C41 101.9(5) . . ?
C95 P3 C41' 101.9(5) . . ?
C48 P4 Cu1 117.3(4) . . ?
C48 P4 C92 104.0(4) . . ?
C55 P4 Cu1 113.7(4) . . ?
C55 P4 C48 108.5(5) . . ?
C55 P4 C92 106.3(6) . . ?
C92 P4 Cu1 105.9(3) . . ?
C61 P5 Pt1 121.0(3) . . ?
C61 P5 C92 102.7(4) . . ?
C61 P5 C93 107.4(5) . . ?
C92 P5 Pt1 111.0(3) . . ?
C93 P5 Pt1 109.6(3) . . ?
C93 P5 C92 103.6(4) . . ?
C68 P6 Cu2 125.7(4) . . ?
C68 P6 C75 97.9(6) . . ?
C68 P6 C93 108.8(5) . . ?
C68' P6 Cu2 109.0(4) . . ?
C75 P6 Cu2 111.6(3) . . ?
C75 P6 C68' 118.5(5) . . ?
C93 P6 Cu2 105.7(3) . . ?
C93 P6 C68' 105.4(5) . . ?
C93 P6 C75 105.6(5) . . ?
C3 C2 C1 116.5(7) . . ?
C3 C2 C7 119.5(5) . . ?
C7 C2 C1 124.0(7) . . ?
C4 C3 C2 120.0(5) . . ?
C3 C4 C5 120.8(5) . . ?
C4 C5 C6 119.5(5) . . ?
C5 C6 C7 120.0(5) . . ?
C2 C7 P1 120.3(7) . . ?
C6 C7 P1 119.6(6) . . ?
C6 C7 C2 120.2(5) . . ?
C10 C9 C8 112.1(11) . . ?
C14 C9 C8 126.0(12) . . ?
C14 C9 C10 117.5(11) . . ?
C11 C10 C9 120.4(11) . . ?
C10 C11 C12 121.7(11) . . ?
C11 C12 C13 118.0(11) . . ?
C12 C13 C14 121.3(11) . . ?
C9 C14 P1 117.6(10) . . ?
C9 C14 C13 119.6(10) . . ?
C13 C14 P1 122.5(11) . . ?
C16 C15 P2 118.5(7) . . ?
C20 C15 P2 123.7(9) . . ?
C20 C15 C16 117.6(10) . . ?
C17 C16 C15 118.9(13) . . ?
C18 C17 C16 120.2(16) . . ?
C19 C18 C17 120.9(12) . . ?
C18 C19 C20 119.4(15) . . ?
C19 C20 C15 122.7(14) . . ?
C30 C29 C28 118.5(14) . . ?
C30 C29 C34 119.2(12) . . ?
C34 C29 C28 122.3(14) . . ?
C31 C30 C29 121.5(15) . . ?
C32 C31 C30 122.0(16) . . ?
C31 C32 C33 117.2(13) . . ?
C34 C33 C32 124.1(13) . . ?
C29 C34 P3 122.2(10) . . ?
C33 C34 P3 121.7(10) . . ?
C33 C34 C29 116.0(13) . . ?
C35 C36 C41 126.4(13) . . ?
C37 C36 C35 116.2(15) . . ?
C37 C36 C41 116.9(12) . . ?
C38 C37 C36 120.4(14) . . ?
C37 C38 C39 126.1(14) . . ?
C38 C39 C40 116.1(12) . . ?
C41 C40 C39 119.5(13) . . ?
C36 C41 P3 119.4(9) . . ?
C40 C41 P3 119.9(11) . . ?
C40 C41 C36 120.7(12) . . ?
C35' C36' C37' 99.4(12) . . ?
C41' C36' C35' 135.5(14) . . ?
C41' C36' C37' 119.5(13) . . ?
C38' C37' C36' 116.1(12) . . ?
C39' C38' C37' 126.1(14) . . ?
C38' C39' C40' 120.4(14) . . ?
C39' C40' C41' 116.9(12) . . ?
C36' C41' P3 119.9(11) . . ?
C36' C41' C40' 120.7(12) . . ?
C40' C41' P3 119.4(9) . . ?
C44 C43 C42 119.4(10) . . ?
C44 C43 C48 117.9(10) . . ?
C48 C43 C42 122.5(9) . . ?
C45 C44 C43 121.9(10) . . ?
C44 C45 C46 119.9(9) . . ?
C45 C46 C47 120.2(9) . . ?
C48 C47 C46 120.4(9) . . ?
C43 C48 P4 118.4(7) . . ?
C47 C48 P4 121.8(7) . . ?
C47 C48 C43 119.7(9) . . ?
C51 C50 C49 117.9(15) . . ?
C55 C50 C49 124.2(11) . . ?
C55 C50 C51 117.7(13) . . ?
C52 C51 C50 121.5(17) . . ?
C53 C52 C51 119.8(13) . . ?
C52 C53 C54 119.9(14) . . ?
C53 C54 C55 121.1(16) . . ?
C50 C55 P4 125.1(9) . . ?
C50 C55 C54 119.7(11) . . ?
C54 C55 P4 115.1(11) . . ?
C57 C56 C61 120.0(12) . . ?
C58 C57 C56 120.2(12) . . ?
C57 C58 C59 121.4(11) . . ?
C58 C59 C60 119.8(14) . . ?
C61 C60 C59 120.1(11) . . ?
C56 C61 P5 119.3(9) . . ?
C60 C61 P5 122.4(8) . . ?
C60 C61 C56 118.3(9) . . ?
C64 C63 C62 115.4(9) . . ?
C68 C63 C62 126.5(9) . . ?
C68 C63 C64 118.0(9) . . ?
C65 C64 C63 120.3(10) . . ?
C66 C65 C64 122.1(10) . . ?
C65 C66 C67 118.2(10) . . ?
C66 C67 C68 120.5(10) . . ?
C63 C68 P6 130.3(8) . . ?
C63 C68 C67 120.6(9) . . ?
C67 C68 P6 109.1(7) . . ?
C64' C63' C62' 116.4(10) . . ?
C68' C63' C62' 125.4(11) . . ?
C68' C63' C64' 118.2(10) . . ?
C65' C64' C63' 120.7(10) . . ?
C66' C65' C64' 121.5(10) . . ?
C65' C66' C67' 118.5(10) . . ?
C66' C67' C68' 120.8(10) . . ?
C63' C68' P6 119.6(9) . . ?
C63' C68' C67' 120.1(10) . . ?
C67' C68' P6 119.9(8) . . ?
C71 C70 C69 119.0(13) . . ?
C71 C70 C75 117.0(17) . . ?
C75 C70 C69 124.0(15) . . ?
C70 C71 C72 122.6(14) . . ?
C71 C72 C73 120.0(18) . . ?
C74 C73 C72 118.7(18) . . ?
C75 C74 C73 120.0(12) . . ?
C70 C75 P6 117.5(12) . . ?
C74 C75 P6 120.9(8) . . ?
C74 C75 C70 121.6(14) . . ?
Pt1 C76 Cu1 83.2(3) . . ?
C77 C76 Pt1 172.1(8) . . ?
C77 C76 Cu1 103.9(7) . . ?
C76 C77 C78 178.2(9) . . ?
C79 C78 C77 120.7(8) . . ?
C79 C78 C83 118.0(9) . . ?
C83 C78 C77 121.3(8) . . ?
C80 C79 C78 120.2(10) . . ?
C81 C80 C79 121.1(11) . . ?
C80 C81 C82 120.1(10) . . ?
C81 C82 C83 121.1(10) . . ?
C82 C83 C78 119.4(10) . . ?
C85 C84 Pt1 154.7(15) . . ?
C85' C84 Pt1 146.9(18) . . ?
C84 C85 C86 171.6(15) . . ?
C87 C86 C85 120.6(10) . . ?
C91 C86 C85 119.4(10) . . ?
C91 C86 C87 120.0(5) . . ?
C88 C87 C86 119.8(5) . . ?
C89 C88 C87 120.1(5) . . ?
C88 C89 C90 120.1(5) . . ?
C89 C90 C91 119.9(5) . . ?
C86 C91 C90 120.1(5) . . ?
C84 C85' C86' 164(2) . . ?
C87' C86' C85' 121(2) . . ?
C87' C86' C91' 115.8(19) . . ?
C91' C86' C85' 122.9(19) . . ?
C86' C87' C88' 121(2) . . ?
C89' C88' C87' 122(2) . . ?
C88' C89' C90' 119(2) . . ?
C91' C90' C89' 120(2) . . ?
C90' C91' C86' 121(2) . . ?
P5 C92 P4 111.9(4) . . ?
P5 C93 P6 111.4(5) . . ?
P2 C94 P1 113.7(5) . . ?
P2 C95 P3 114.1(5) . . ?
O1 Cl1 O3 110.0(5) . . ?
O1 Cl1 O4 107.7(5) . . ?
O2 Cl1 O1 113.5(6) . . ?
O2 Cl1 O3 109.5(5) . . ?
O2 Cl1 O4 109.6(5) . . ?
O4 Cl1 O3 106.3(5) . . ?
O5 Cl2 O7 109.3(7) . . ?
O5 Cl2 O8 106.6(9) . . ?
O6 Cl2 O5 111.4(7) . . ?
O6 Cl2 O7 113.2(7) . . ?
O6 Cl2 O8 109.0(8) . . ?
O7 Cl2 O8 107.1(8) . . ?
O5' Cl2' O7' 111.0(8) . . ?
O5' Cl2' O8' 107.3(8) . . ?
O6' Cl2' O5' 111.4(9) . . ?
O6' Cl2' O7' 111.2(8) . . ?
O6' Cl2' O8' 107.1(9) . . ?
O7' Cl2' O8' 108.6(8) . . ?
Cl01 C01 Cl01 109.0(8) 2_655 . ?
Cl03 C02 Cl04 113.1(17) . . ?
Cl06 C03 Cl05 109.7(8) . . ?
Cl6' C03' Cl5' 109.9(8) . . ?
Cl5" C03" Cl6" 110.7(8) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
