# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_ysf23b2
_database_code_depnum_ccdc_archive 'CCDC 2330685'
loop_
_audit_author_name
_audit_author_address
'Shang-Fu Yuan'
;Jinan University
China
;
_audit_update_record             
;
2024-02-03 deposited with the CCDC.	2024-04-23 downloaded from the CCDC.
;
_audit_creation_date             2023-12-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.16 svn.ra9532c28 for OlexSys, GUI svn.r6427)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C104 H84 Cu4 N4 O4 P4 Pt2), 3(C H2 Cl2), 4(F6 P)'
_chemical_formula_sum            'C211 H174 Cl6 Cu8 F24 N8 O8 P12 Pt4'
_chemical_formula_weight         5278.59
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   14.8492(3)
_cell_length_b                   15.4702(4)
_cell_length_c                   22.7707(6)
_cell_angle_alpha                89.501(2)
_cell_angle_beta                 84.631(2)
_cell_angle_gamma                86.3650(19)
_cell_volume                     5197.4(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    14718
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      64.9810
_cell_measurement_theta_min      4.5380
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.008
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74405
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown-red
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2602
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_unetI/netI     0.0565
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            31714
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        65.144
_diffrn_reflns_theta_max         65.144
_diffrn_reflns_theta_min         3.418
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2137
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -121.00 -18.00   1.00    1.00    --  -42.06 -19.00-180.00  103
  2  ω    -87.00 -14.00   1.00    1.00    --  -42.06 125.00 -60.00   73
  3  ω    -97.00 -19.00   1.00    1.00    --  -42.06 -38.00  90.00   78
  4  ω     15.00 122.00   1.00    3.00    --   89.04 -77.00-180.00  107
  5  ω    106.00 165.00   1.00    3.00    --   89.04  77.00  30.00   59
  6  ω    112.00 159.00   1.00    3.00    --   89.04 125.00 120.00   47
  7  ω     18.00 109.00   1.00    3.00    --   89.04 -45.00   0.00   91
  8  ω     36.00 112.00   1.00    3.00    --   89.04-125.00-180.00   76
  9  ω     78.00 109.00   1.00    3.00    --   89.04 -45.00 120.00   31
 10  ω     68.00 101.00   1.00    3.00    --   89.04-125.00  90.00   33
 11  ω     32.00 109.00   1.00    3.00    --   89.04-125.00   0.00   77
 12  ω     15.00 161.00   1.00    3.00    --   89.04   0.00  30.00  146
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0024411000
_diffrn_orient_matrix_UB_12      -0.0339244000
_diffrn_orient_matrix_UB_13      -0.0632032000
_diffrn_orient_matrix_UB_21      -0.0582675000
_diffrn_orient_matrix_UB_22      0.0815832000
_diffrn_orient_matrix_UB_23      -0.0153077000
_diffrn_orient_matrix_UB_31      0.0866060000
_diffrn_orient_matrix_UB_32      0.0463697000
_diffrn_orient_matrix_UB_33      -0.0197169000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14110
_reflns_number_total             17147
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.612
_refine_diff_density_min         -0.923
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1283
_refine_ls_number_reflns         17147
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0377
_refine_ls_restrained_S_all      1.038
_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)+(0.0367P)²+8.5998P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.0957
_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. Uiso/Uaniso restraints and constraints
C421 \\sim C422 \\sim C423 \\sim C424 \\sim C425 \\sim C426: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
3. Others
 Fixed Sof: Cl3S(0.5) Cl4S(0.5) C2S(0.5) H2SA(0.5) H2SB(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB), C2S(H2SA,H2SB)
4.b Aromatic/amide H refined with riding coordinates:
 C14(H14), C15(H15), C17(H17), C18(H18), C24(H24), C25(H25), C27(H27),
 C28(H28), C34(H34), C35(H35), C37(H37), C38(H38), C44(H44), C45(H45), C47(H47),
  C48(H48), C112(H112), C113(H113), C114(H114), C115(H115), C116(H116),
 C122(H122), C123(H123), C124(H124), C125(H125), C126(H126), C132(H132),
 C133(H133), C134(H134), C135(H135), C212(H212), C213(H213), C214(H214),
 C215(H215), C216(H216), C222(H222), C223(H223), C224(H224), C225(H225),
 C226(H226), C232(H232), C233(H233), C234(H234), C235(H235), C312(H312),
 C313(H313), C314(H314), C315(H315), C316(H316), C322(H322), C323(H323),
 C324(H324), C325(H325), C326(H326), C332(H332), C333(H333), C334(H334),
 C335(H335), C412(H412), C413(H413), C414(H414), C415(H415), C416(H416),
 C422(H422), C423(H423), C424(H424), C425(H425), C426(H426), C432(H432),
 C433(H433), C434(H434), C435(H435)
4.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C29(H29A,H29B,H29C), C39(H39A,H39B,H39C), C49(H49A,H49B,
 H49C)
;
_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 0.72069(2) 0.74675(2) 0.64545(2) 0.01721(6) Uani 1 1 d . . . . .
Pt2 Pt 0.68393(2) 0.74208(2) 0.83517(2) 0.01928(7) Uani 1 1 d . . . . .
Cu1 Cu 0.76340(5) 0.85255(5) 0.74237(4) 0.02238(17) Uani 1 1 d . . . . .
Cu2 Cu 0.60202(5) 0.80089(5) 0.73814(3) 0.02040(17) Uani 1 1 d . . . . .
Cu3 Cu 0.64309(5) 0.63687(5) 0.73713(3) 0.02172(17) Uani 1 1 d . . . . .
Cu4 Cu 0.80560(5) 0.68848(5) 0.74054(3) 0.02115(17) Uani 1 1 d . . . . .
P1 P 0.62260(9) 0.84465(8) 0.60044(6) 0.0207(3) Uani 1 1 d . . . . .
P2 P 0.83507(9) 0.65455(8) 0.59974(6) 0.0208(3) Uani 1 1 d . . . . .
P3 P 0.81442(9) 0.69782(9) 0.87913(6) 0.0211(3) Uani 1 1 d . . . . .
P4 P 0.53761(9) 0.78343(9) 0.87497(6) 0.0209(3) Uani 1 1 d . . . . .
O1 O 0.9270(3) 1.2482(3) 0.8067(2) 0.0443(12) Uani 1 1 d . . . . .
O2 O 1.0127(3) 1.2197(3) 0.6392(3) 0.0541(15) Uani 1 1 d . . . . .
O3 O 0.4306(3) 0.2746(3) 0.6218(2) 0.0430(12) Uani 1 1 d . . . . .
O4 O 0.4382(3) 0.2474(3) 0.7873(2) 0.0502(13) Uani 1 1 d . . . . .
N1 N 0.5812(3) 0.9240(3) 0.7054(2) 0.0234(10) Uani 1 1 d . . . . .
N2 N 0.8429(3) 0.5682(3) 0.7035(2) 0.0251(10) Uani 1 1 d . . . . .
N3 N 0.9153(3) 0.7312(3) 0.7789(2) 0.0255(10) Uani 1 1 d . . . . .
N4 N 0.4782(3) 0.7576(3) 0.7693(2) 0.0230(10) Uani 1 1 d . . . . .
C11 C 0.7996(3) 0.8446(3) 0.6568(2) 0.0209(11) Uani 1 1 d . . . . .
C12 C 0.8402(4) 0.9093(4) 0.6668(2) 0.0236(12) Uani 1 1 d . . . . .
C13 C 0.8866(4) 0.9881(4) 0.6614(3) 0.0257(12) Uani 1 1 d . . . . .
C14 C 0.8380(4) 1.0678(4) 0.6619(4) 0.0437(18) Uani 1 1 d . . . . .
H14 H 0.7737 1.0703 0.6677 0.052 Uiso 1 1 calc R U . . .
C15 C 0.8820(4) 1.1432(4) 0.6543(4) 0.051(2) Uani 1 1 d . . . . .
H15 H 0.8479 1.1973 0.6547 0.061 Uiso 1 1 calc R U . . .
C16 C 0.9754(4) 1.1410(4) 0.6459(3) 0.0354(15) Uani 1 1 d . . . . .
C17 C 1.0250(4) 1.0635(4) 0.6460(3) 0.0348(15) Uani 1 1 d . . . . .
H17 H 1.0893 1.0617 0.6411 0.042 Uiso 1 1 calc R U . . .
C18 C 0.9806(4) 0.9878(4) 0.6533(3) 0.0333(14) Uani 1 1 d . . . . .
H18 H 1.0152 0.9340 0.6529 0.040 Uiso 1 1 calc R U . . .
C19 C 1.1088(4) 1.2206(4) 0.6306(4) 0.054(2) Uani 1 1 d . . . . .
H19A H 1.1303 1.1952 0.5922 0.081 Uiso 1 1 calc R U . . .
H19B H 1.1357 1.1868 0.6619 0.081 Uiso 1 1 calc R U . . .
H19C H 1.1266 1.2805 0.6318 0.081 Uiso 1 1 calc R U . . .
C21 C 0.7282(3) 0.8613(3) 0.8297(2) 0.0228(12) Uani 1 1 d . . . . .
C22 C 0.7638(4) 0.9310(4) 0.8195(3) 0.0268(12) Uani 1 1 d . . . . .
C23 C 0.8060(4) 1.0131(4) 0.8183(3) 0.0304(13) Uani 1 1 d . . . . .
C24 C 0.7541(4) 1.0922(4) 0.8238(3) 0.0364(15) Uani 1 1 d . . . . .
H24 H 0.6899 1.0931 0.8297 0.044 Uiso 1 1 calc R U . . .
C25 C 0.7981(4) 1.1697(4) 0.8203(3) 0.0366(15) Uani 1 1 d . . . . .
H25 H 0.7636 1.2235 0.8244 0.044 Uiso 1 1 calc R U . . .
C26 C 0.8915(4) 1.1684(4) 0.8111(3) 0.0337(14) Uani 1 1 d . . . . .
C27 C 0.9431(4) 1.0910(4) 0.8066(3) 0.0352(15) Uani 1 1 d . . . . .
H27 H 1.0074 1.0903 0.8010 0.042 Uiso 1 1 calc R U . . .
C28 C 0.8990(4) 1.0139(4) 0.8105(3) 0.0334(14) Uani 1 1 d . . . . .
H28 H 0.9342 0.9604 0.8076 0.040 Uiso 1 1 calc R U . . .
C29 C 1.0238(5) 1.2500(5) 0.7979(4) 0.055(2) Uani 1 1 d . . . . .
H29A H 1.0458 1.2212 0.7607 0.083 Uiso 1 1 calc R U . . .
H29B H 1.0510 1.2198 0.8306 0.083 Uiso 1 1 calc R U . . .
H29C H 1.0408 1.3102 0.7964 0.083 Uiso 1 1 calc R U . . .
C31 C 0.6405(3) 0.6471(3) 0.6512(2) 0.0217(11) Uani 1 1 d . . . . .
C32 C 0.5976(3) 0.5821(3) 0.6584(2) 0.0219(11) Uani 1 1 d . . . . .
C33 C 0.5526(4) 0.5029(3) 0.6508(2) 0.0238(12) Uani 1 1 d . . . . .
C34 C 0.4609(4) 0.4977(4) 0.6648(3) 0.0370(15) Uani 1 1 d . . . . .
H34 H 0.4261 0.5469 0.6809 0.044 Uiso 1 1 calc R U . . .
C35 C 0.4181(4) 0.4230(4) 0.6561(3) 0.0385(16) Uani 1 1 d . . . . .
H35 H 0.3548 0.4213 0.6663 0.046 Uiso 1 1 calc R U . . .
C36 C 0.4666(4) 0.3514(3) 0.6330(3) 0.0296(13) Uani 1 1 d . . . . .
C37 C 0.5589(4) 0.3543(4) 0.6191(3) 0.0414(17) Uani 1 1 d . . . . .
H37 H 0.5931 0.3044 0.6034 0.050 Uiso 1 1 calc R U . . .
C38 C 0.6017(4) 0.4288(4) 0.6277(3) 0.0399(16) Uani 1 1 d . . . . .
H38 H 0.6652 0.4300 0.6178 0.048 Uiso 1 1 calc R U . . .
C39 C 0.3362(5) 0.2697(5) 0.6349(4) 0.061(2) Uani 1 1 d . . . . .
H39A H 0.3041 0.3105 0.6097 0.091 Uiso 1 1 calc R U . . .
H39B H 0.3194 0.2846 0.6764 0.091 Uiso 1 1 calc R U . . .
H39C H 0.3195 0.2108 0.6276 0.091 Uiso 1 1 calc R U . . .
C41 C 0.6404(3) 0.6235(3) 0.8243(2) 0.0232(12) Uani 1 1 d . . . . .
C42 C 0.6093(4) 0.5556(4) 0.8112(3) 0.0254(12) Uani 1 1 d . . . . .
C43 C 0.5659(4) 0.4750(3) 0.8070(2) 0.0238(12) Uani 1 1 d . . . . .
C44 C 0.4732(4) 0.4731(4) 0.8220(3) 0.0344(15) Uani 1 1 d . . . . .
H44 H 0.4398 0.5241 0.8365 0.041 Uiso 1 1 calc R U . . .
C45 C 0.4287(4) 0.3983(4) 0.8162(3) 0.0352(15) Uani 1 1 d . . . . .
H45 H 0.3652 0.3983 0.8266 0.042 Uiso 1 1 calc R U . . .
C46 C 0.4758(4) 0.3247(4) 0.7956(3) 0.0320(14) Uani 1 1 d . . . . .
C47 C 0.5679(5) 0.3254(4) 0.7801(3) 0.0450(18) Uani 1 1 d . . . . .
H47 H 0.6008 0.2743 0.7653 0.054 Uiso 1 1 calc R U . . .
C48 C 0.6121(4) 0.4000(4) 0.7860(3) 0.0390(16) Uani 1 1 d . . . . .
H48 H 0.6755 0.3996 0.7753 0.047 Uiso 1 1 calc R U . . .
C49 C 0.3450(5) 0.2426(5) 0.8038(5) 0.065(2) Uani 1 1 d . . . . .
H49A H 0.3107 0.2859 0.7817 0.098 Uiso 1 1 calc R U . . .
H49B H 0.3326 0.2540 0.8462 0.098 Uiso 1 1 calc R U . . .
H49C H 0.3268 0.1846 0.7952 0.098 Uiso 1 1 calc R U . . .
C111 C 0.6681(4) 0.8974(3) 0.5322(3) 0.0257(12) Uani 1 1 d . . . . .
C112 C 0.7500(4) 0.9378(4) 0.5332(3) 0.0383(15) Uani 1 1 d . . . . .
H112 H 0.7818 0.9348 0.5675 0.046 Uiso 1 1 calc R U . . .
C113 C 0.7840(4) 0.9817(5) 0.4839(3) 0.0447(17) Uani 1 1 d . . . . .
H113 H 0.8389 1.0097 0.4849 0.054 Uiso 1 1 calc R U . . .
C114 C 0.7404(4) 0.9859(4) 0.4333(3) 0.0397(16) Uani 1 1 d . . . . .
H114 H 0.7644 1.0165 0.3996 0.048 Uiso 1 1 calc R U . . .
C115 C 0.6609(5) 0.9448(4) 0.4324(3) 0.0430(16) Uani 1 1 d . . . . .
H115 H 0.6307 0.9464 0.3974 0.052 Uiso 1 1 calc R U . . .
C116 C 0.6238(4) 0.9009(4) 0.4815(3) 0.0362(15) Uani 1 1 d . . . . .
H116 H 0.5685 0.8736 0.4802 0.043 Uiso 1 1 calc R U . . .
C121 C 0.5182(4) 0.8016(4) 0.5809(3) 0.0263(12) Uani 1 1 d . . . . .
C122 C 0.4326(4) 0.8371(4) 0.5997(3) 0.0340(14) Uani 1 1 d . . . . .
H122 H 0.4263 0.8890 0.6221 0.041 Uiso 1 1 calc R U . . .
C123 C 0.3555(4) 0.7973(5) 0.5861(4) 0.0487(19) Uani 1 1 d . . . . .
H123 H 0.2970 0.8217 0.5997 0.058 Uiso 1 1 calc R U . . .
C124 C 0.3642(5) 0.7230(5) 0.5531(4) 0.052(2) Uani 1 1 d . . . . .
H124 H 0.3115 0.6962 0.5438 0.062 Uiso 1 1 calc R U . . .
C125 C 0.4501(4) 0.6866(4) 0.5333(3) 0.0424(16) Uani 1 1 d . . . . .
H125 H 0.4561 0.6353 0.5102 0.051 Uiso 1 1 calc R U . . .
C126 C 0.5263(4) 0.7259(4) 0.5474(3) 0.0323(14) Uani 1 1 d . . . . .
H126 H 0.5848 0.7012 0.5342 0.039 Uiso 1 1 calc R U . . .
C131 C 0.5852(3) 0.9389(3) 0.6469(3) 0.0242(12) Uani 1 1 d . . . . .
C132 C 0.5669(4) 1.0211(4) 0.6249(3) 0.0333(14) Uani 1 1 d . . . . .
H132 H 0.5721 1.0308 0.5835 0.040 Uiso 1 1 calc R U . . .
C133 C 0.5412(4) 1.0889(4) 0.6628(3) 0.0382(16) Uani 1 1 d . . . . .
H133 H 0.5262 1.1450 0.6479 0.046 Uiso 1 1 calc R U . . .
C134 C 0.5377(4) 1.0741(4) 0.7223(3) 0.0374(15) Uani 1 1 d . . . . .
H134 H 0.5215 1.1200 0.7494 0.045 Uiso 1 1 calc R U . . .
C135 C 0.5582(4) 0.9905(4) 0.7422(3) 0.0325(14) Uani 1 1 d . . . . .
H135 H 0.5560 0.9803 0.7835 0.039 Uiso 1 1 calc R U . . .
C211 C 0.9439(4) 0.7012(4) 0.5827(3) 0.0278(13) Uani 1 1 d . . . . .
C212 C 0.9458(4) 0.7740(4) 0.5459(3) 0.0355(15) Uani 1 1 d . . . . .
H212 H 0.8913 0.7975 0.5316 0.043 Uiso 1 1 calc R U . . .
C213 C 1.0262(4) 0.8118(4) 0.5302(3) 0.0434(17) Uani 1 1 d . . . . .
H213 H 1.0268 0.8612 0.5051 0.052 Uiso 1 1 calc R U . . .
C214 C 1.1058(5) 0.7786(5) 0.5508(4) 0.059(2) Uani 1 1 d . . . . .
H214 H 1.1613 0.8041 0.5391 0.070 Uiso 1 1 calc R U . . .
C215 C 1.1044(5) 0.7078(5) 0.5886(4) 0.055(2) Uani 1 1 d . . . . .
H215 H 1.1585 0.6865 0.6045 0.066 Uiso 1 1 calc R U . . .
C216 C 1.0243(4) 0.6680(4) 0.6033(3) 0.0372(15) Uani 1 1 d . . . . .
H216 H 1.0243 0.6178 0.6275 0.045 Uiso 1 1 calc R U . . .
C221 C 0.8153(4) 0.6047(3) 0.5296(2) 0.0250(12) Uani 1 1 d . . . . .
C222 C 0.7313(4) 0.5723(4) 0.5242(3) 0.0339(14) Uani 1 1 d . . . . .
H222 H 0.6845 0.5804 0.5555 0.041 Uiso 1 1 calc R U . . .
C223 C 0.7151(5) 0.5284(4) 0.4740(3) 0.0413(16) Uani 1 1 d . . . . .
H223 H 0.6577 0.5056 0.4712 0.050 Uiso 1 1 calc R U . . .
C224 C 0.7823(5) 0.5176(4) 0.4280(3) 0.0421(16) Uani 1 1 d . . . . .
H224 H 0.7717 0.4871 0.3935 0.051 Uiso 1 1 calc R U . . .
C225 C 0.8637(5) 0.5512(4) 0.4324(3) 0.0428(16) Uani 1 1 d . . . . .
H225 H 0.9095 0.5450 0.4004 0.051 Uiso 1 1 calc R U . . .
C226 C 0.8814(4) 0.5943(4) 0.4827(3) 0.0344(14) Uani 1 1 d . . . . .
H226 H 0.9390 0.6167 0.4851 0.041 Uiso 1 1 calc R U . . .
C231 C 0.8580(3) 0.5573(3) 0.6450(3) 0.0224(12) Uani 1 1 d . . . . .
C232 C 0.8847(4) 0.4778(4) 0.6199(3) 0.0311(14) Uani 1 1 d . . . . .
H232 H 0.8956 0.4719 0.5783 0.037 Uiso 1 1 calc R U . . .
C233 C 0.8954(4) 0.4061(4) 0.6571(3) 0.0371(15) Uani 1 1 d . . . . .
H233 H 0.9147 0.3506 0.6413 0.045 Uiso 1 1 calc R U . . .
C234 C 0.8776(4) 0.4176(4) 0.7164(3) 0.0332(14) Uani 1 1 d . . . . .
H234 H 0.8827 0.3697 0.7425 0.040 Uiso 1 1 calc R U . . .
C235 C 0.8523(4) 0.4986(4) 0.7382(3) 0.0306(13) Uani 1 1 d . . . . .
H235 H 0.8409 0.5057 0.7797 0.037 Uiso 1 1 calc R U . . .
C311 C 0.8446(4) 0.5826(3) 0.8872(2) 0.0221(11) Uani 1 1 d . . . . .
C312 C 0.7764(4) 0.5272(4) 0.9061(3) 0.0282(13) Uani 1 1 d . . . . .
H312 H 0.7155 0.5500 0.9138 0.034 Uiso 1 1 calc R U . . .
C313 C 0.7973(5) 0.4397(4) 0.9134(3) 0.0365(15) Uani 1 1 d . . . . .
H313 H 0.7507 0.4025 0.9260 0.044 Uiso 1 1 calc R U . . .
C314 C 0.8858(5) 0.4060(4) 0.9025(3) 0.0420(17) Uani 1 1 d . . . . .
H314 H 0.9001 0.3457 0.9073 0.050 Uiso 1 1 calc R U . . .
C315 C 0.9529(5) 0.4604(4) 0.8848(3) 0.0485(19) Uani 1 1 d . . . . .
H315 H 1.0138 0.4375 0.8776 0.058 Uiso 1 1 calc R U . . .
C316 C 0.9327(4) 0.5487(4) 0.8771(3) 0.0346(14) Uani 1 1 d . . . . .
H316 H 0.9797 0.5857 0.8648 0.042 Uiso 1 1 calc R U . . .
C321 C 0.8174(4) 0.7397(4) 0.9539(3) 0.0266(12) Uani 1 1 d . . . . .
C322 C 0.7967(5) 0.8273(5) 0.9651(3) 0.0472(18) Uani 1 1 d . . . . .
H322 H 0.7839 0.8654 0.9335 0.057 Uiso 1 1 calc R U . . .
C323 C 0.7945(5) 0.8597(5) 1.0217(4) 0.053(2) Uani 1 1 d . . . . .
H323 H 0.7799 0.9196 1.0287 0.064 Uiso 1 1 calc R U . . .
C324 C 0.8132(5) 0.8063(5) 1.0675(3) 0.0533(19) Uani 1 1 d . . . . .
H324 H 0.8129 0.8290 1.1061 0.064 Uiso 1 1 calc R U . . .
C325 C 0.8323(7) 0.7201(5) 1.0574(3) 0.065(2) Uani 1 1 d . . . . .
H325 H 0.8440 0.6824 1.0893 0.077 Uiso 1 1 calc R U . . .
C326 C 0.8346(6) 0.6874(5) 1.0008(3) 0.0527(19) Uani 1 1 d . . . . .
H326 H 0.8486 0.6273 0.9944 0.063 Uiso 1 1 calc R U . . .
C331 C 0.9158(3) 0.7375(4) 0.8378(3) 0.0238(12) Uani 1 1 d . . . . .
C332 C 0.9868(4) 0.7703(4) 0.8623(3) 0.0344(15) Uani 1 1 d . . . . .
H332 H 0.9856 0.7736 0.9040 0.041 Uiso 1 1 calc R U . . .
C333 C 1.0593(4) 0.7983(4) 0.8281(3) 0.0413(16) Uani 1 1 d . . . . .
H333 H 1.1083 0.8213 0.8456 0.050 Uiso 1 1 calc R U . . .
C334 C 1.0607(4) 0.7929(4) 0.7683(3) 0.0377(15) Uani 1 1 d . . . . .
H334 H 1.1104 0.8116 0.7432 0.045 Uiso 1 1 calc R U . . .
C335 C 0.9865(4) 0.7589(4) 0.7450(3) 0.0332(14) Uani 1 1 d . . . . .
H335 H 0.9866 0.7553 0.7034 0.040 Uiso 1 1 calc R U . . .
C411 C 0.5098(4) 0.8978(4) 0.8887(2) 0.0245(12) Uani 1 1 d . . . . .
C412 C 0.5698(4) 0.9424(4) 0.9194(3) 0.0367(15) Uani 1 1 d . . . . .
H412 H 0.6227 0.9128 0.9320 0.044 Uiso 1 1 calc R U . . .
C413 C 0.5516(5) 1.0299(4) 0.9314(3) 0.0463(18) Uani 1 1 d . . . . .
H413 H 0.5931 1.0604 0.9513 0.056 Uiso 1 1 calc R U . . .
C414 C 0.4742(5) 1.0726(5) 0.9148(4) 0.0509(19) Uani 1 1 d . . . . .
H414 H 0.4620 1.1323 0.9238 0.061 Uiso 1 1 calc R U . . .
C415 C 0.4144(5) 1.0292(4) 0.8852(3) 0.0465(17) Uani 1 1 d . . . . .
H415 H 0.3610 1.0590 0.8734 0.056 Uiso 1 1 calc R U . . .
C416 C 0.4320(4) 0.9414(4) 0.8726(3) 0.0326(14) Uani 1 1 d . . . . .
H416 H 0.3901 0.9114 0.8526 0.039 Uiso 1 1 calc R U . . .
C421 C 0.5022(4) 0.7351(4) 0.9468(3) 0.0343(14) Uani 1 1 d . U . . .
C422 C 0.5433(6) 0.6624(7) 0.9653(4) 0.088(3) Uani 1 1 d . U . . .
H422 H 0.5931 0.6358 0.9414 0.105 Uiso 1 1 calc R U . . .
C423 C 0.5144(7) 0.6241(8) 1.0196(5) 0.100(3) Uani 1 1 d . U . . .
H423 H 0.5429 0.5709 1.0313 0.120 Uiso 1 1 calc R U . . .
C424 C 0.4466(6) 0.6630(7) 1.0547(4) 0.070(2) Uani 1 1 d . U . . .
H424 H 0.4301 0.6394 1.0926 0.084 Uiso 1 1 calc R U . . .
C425 C 0.4010(6) 0.7365(5) 1.0362(3) 0.0561(18) Uani 1 1 d . U . . .
H425 H 0.3504 0.7620 1.0599 0.067 Uiso 1 1 calc R U . . .
C426 C 0.4297(5) 0.7730(5) 0.9827(3) 0.0488(17) Uani 1 1 d . U . . .
H426 H 0.3994 0.8249 0.9702 0.059 Uiso 1 1 calc R U . . .
C431 C 0.4521(3) 0.7519(3) 0.8273(2) 0.0210(11) Uani 1 1 d . . . . .
C432 C 0.3698(4) 0.7219(4) 0.8479(3) 0.0297(13) Uani 1 1 d . . . . .
H432 H 0.3535 0.7176 0.8891 0.036 Uiso 1 1 calc R U . . .
C433 C 0.3108(4) 0.6979(4) 0.8081(3) 0.0334(14) Uani 1 1 d . . . . .
H433 H 0.2533 0.6780 0.8218 0.040 Uiso 1 1 calc R U . . .
C434 C 0.3364(4) 0.7034(4) 0.7492(3) 0.0292(13) Uani 1 1 d . . . . .
H434 H 0.2975 0.6868 0.7210 0.035 Uiso 1 1 calc R U . . .
C435 C 0.4208(4) 0.7338(4) 0.7314(3) 0.0309(13) Uani 1 1 d . . . . .
H435 H 0.4386 0.7378 0.6903 0.037 Uiso 1 1 calc R U . . .
Cl1S Cl 1.28948(17) 0.52406(18) 0.93677(11) 0.0858(8) Uani 1 1 d . . . . .
Cl2S Cl 1.15831(17) 0.66848(17) 0.94763(10) 0.0825(7) Uani 1 1 d . . . . .
C1S C 1.1759(6) 0.5563(6) 0.9372(4) 0.067(2) Uani 1 1 d . . . . .
H1SA H 1.1409 0.5258 0.9692 0.080 Uiso 1 1 calc R U . . .
H1SB H 1.1538 0.5404 0.8993 0.080 Uiso 1 1 calc R U . . .
Cl3S Cl 1.1993(3) 0.8953(3) 0.9669(3) 0.0939(19) Uani 0.5 1 d . . P . .
Cl4S Cl 1.0290(3) 0.8597(5) 1.0277(2) 0.106(2) Uani 0.5 1 d . . P . .
C2S C 1.1262(12) 0.9114(14) 1.0308(6) 0.074(6) Uani 0.5 1 d . . P . .
H2SA H 1.1571 0.8896 1.0652 0.089 Uiso 0.5 1 calc R U P . .
H2SB H 1.1111 0.9742 1.0364 0.089 Uiso 0.5 1 calc R U P . .
P5 P 0.23840(11) 0.98708(11) 0.75177(8) 0.0382(4) Uani 1 1 d . . . . .
F1 F 0.3426(3) 0.9863(6) 0.7399(4) 0.143(4) Uani 1 1 d . . . . .
F2 F 0.1324(3) 0.9862(3) 0.7641(3) 0.0842(17) Uani 1 1 d . . . . .
F3 F 0.2308(5) 0.9221(3) 0.6995(2) 0.0899(18) Uani 1 1 d . . . . .
F4 F 0.2415(6) 1.0512(4) 0.8049(3) 0.117(3) Uani 1 1 d . . . . .
F5 F 0.2288(4) 1.0667(3) 0.7079(2) 0.0757(15) Uani 1 1 d . . . . .
F6 F 0.2479(3) 0.9070(3) 0.7951(2) 0.0603(12) Uani 1 1 d . . . . .
P6 P 1.15909(10) 0.49815(11) 0.75426(7) 0.0334(4) Uani 1 1 d . . . . .
F7 F 1.1882(3) 0.4201(3) 0.7104(2) 0.0593(11) Uani 1 1 d . . . . .
F8 F 1.1308(3) 0.5764(2) 0.79907(17) 0.0463(9) Uani 1 1 d . . . . .
F9 F 1.2627(3) 0.5122(3) 0.7607(2) 0.0671(13) Uani 1 1 d . . . . .
F10 F 1.0569(3) 0.4827(4) 0.7505(3) 0.097(2) Uani 1 1 d . . . . .
F11 F 1.1611(4) 0.5645(3) 0.7016(2) 0.0830(16) Uani 1 1 d . . . . .
F12 F 1.1606(4) 0.4315(3) 0.8086(2) 0.0747(14) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cu1 2.8996(8) . ?
Pt1 Cu2 2.7220(8) . ?
Pt1 Cu3 2.8830(8) . ?
Pt1 Cu4 2.7246(8) . ?
Pt1 P1 2.3321(13) . ?
Pt1 P2 2.3217(13) . ?
Pt1 C11 2.005(5) . ?
Pt1 C31 2.002(5) . ?
Pt2 Cu1 2.9164(8) . ?
Pt2 Cu2 2.7418(8) . ?
Pt2 Cu3 2.9056(8) . ?
Pt2 Cu4 2.7764(8) . ?
Pt2 P3 2.3256(14) . ?
Pt2 P4 2.3275(13) . ?
Pt2 C21 1.996(5) . ?
Pt2 C41 2.008(6) . ?
Cu1 Cu2 2.5842(10) . ?
Cu1 Cu4 2.5753(10) . ?
Cu1 C11 1.974(5) . ?
Cu1 C12 2.182(5) . ?
Cu1 C21 2.011(6) . ?
Cu1 C22 2.144(6) . ?
Cu2 Cu3 2.5715(10) . ?
Cu2 N1 2.055(4) . ?
Cu2 N4 2.059(4) . ?
Cu3 Cu4 2.5975(10) . ?
Cu3 C31 1.966(6) . ?
Cu3 C32 2.172(5) . ?
Cu3 C41 1.990(6) . ?
Cu3 C42 2.136(5) . ?
Cu4 N2 2.070(5) . ?
Cu4 N3 2.065(5) . ?
P1 C111 1.840(6) . ?
P1 C121 1.819(6) . ?
P1 C131 1.836(6) . ?
P2 C211 1.820(6) . ?
P2 C221 1.835(6) . ?
P2 C231 1.848(5) . ?
P3 C311 1.823(5) . ?
P3 C321 1.833(6) . ?
P3 C331 1.836(5) . ?
P4 C411 1.814(6) . ?
P4 C421 1.838(6) . ?
P4 C431 1.837(5) . ?
O1 C26 1.372(7) . ?
O1 C29 1.434(9) . ?
O2 C16 1.371(7) . ?
O2 C19 1.424(8) . ?
O3 C36 1.370(7) . ?
O3 C39 1.412(8) . ?
O4 C46 1.373(7) . ?
O4 C49 1.407(9) . ?
N1 C131 1.346(7) . ?
N1 C135 1.341(7) . ?
N2 C231 1.340(7) . ?
N2 C235 1.338(7) . ?
N3 C331 1.348(7) . ?
N3 C335 1.339(7) . ?
N4 C431 1.345(7) . ?
N4 C435 1.338(7) . ?
C11 C12 1.234(8) . ?
C12 C13 1.437(8) . ?
C13 C14 1.389(8) . ?
C13 C18 1.390(8) . ?
C14 H14 0.9500 . ?
C14 C15 1.375(9) . ?
C15 H15 0.9500 . ?
C15 C16 1.379(9) . ?
C16 C17 1.368(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.381(8) . ?
C18 H18 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C21 C22 1.241(8) . ?
C22 C23 1.450(8) . ?
C23 C24 1.404(8) . ?
C23 C28 1.377(9) . ?
C24 H24 0.9500 . ?
C24 C25 1.399(8) . ?
C25 H25 0.9500 . ?
C25 C26 1.381(9) . ?
C26 C27 1.380(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.396(8) . ?
C28 H28 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C31 C32 1.227(7) . ?
C32 C33 1.451(7) . ?
C33 C34 1.376(8) . ?
C33 C38 1.399(9) . ?
C34 H34 0.9500 . ?
C34 C35 1.378(8) . ?
C35 H35 0.9500 . ?
C35 C36 1.364(9) . ?
C36 C37 1.381(9) . ?
C37 H37 0.9500 . ?
C37 C38 1.374(9) . ?
C38 H38 0.9500 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C41 C42 1.224(8) . ?
C42 C43 1.447(8) . ?
C43 C44 1.389(8) . ?
C43 C48 1.377(8) . ?
C44 H44 0.9500 . ?
C44 C45 1.381(8) . ?
C45 H45 0.9500 . ?
C45 C46 1.362(9) . ?
C46 C47 1.380(9) . ?
C47 H47 0.9500 . ?
C47 C48 1.376(9) . ?
C48 H48 0.9500 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C111 C112 1.404(8) . ?
C111 C116 1.380(9) . ?
C112 H112 0.9500 . ?
C112 C113 1.380(9) . ?
C113 H113 0.9500 . ?
C113 C114 1.373(10) . ?
C114 H114 0.9500 . ?
C114 C115 1.377(10) . ?
C115 H115 0.9500 . ?
C115 C116 1.392(9) . ?
C116 H116 0.9500 . ?
C121 C122 1.384(8) . ?
C121 C126 1.395(9) . ?
C122 H122 0.9500 . ?
C122 C123 1.394(9) . ?
C123 H123 0.9500 . ?
C123 C124 1.371(11) . ?
C124 H124 0.9500 . ?
C124 C125 1.399(10) . ?
C125 H125 0.9500 . ?
C125 C126 1.384(9) . ?
C126 H126 0.9500 . ?
C131 C132 1.382(8) . ?
C132 H132 0.9500 . ?
C132 C133 1.375(9) . ?
C133 H133 0.9500 . ?
C133 C134 1.369(10) . ?
C134 H134 0.9500 . ?
C134 C135 1.391(8) . ?
C135 H135 0.9500 . ?
C211 C212 1.397(8) . ?
C211 C216 1.389(9) . ?
C212 H212 0.9500 . ?
C212 C213 1.379(9) . ?
C213 H213 0.9500 . ?
C213 C214 1.379(10) . ?
C214 H214 0.9500 . ?
C214 C215 1.389(11) . ?
C215 H215 0.9500 . ?
C215 C216 1.386(9) . ?
C216 H216 0.9500 . ?
C221 C222 1.389(8) . ?
C221 C226 1.384(8) . ?
C222 H222 0.9500 . ?
C222 C223 1.383(9) . ?
C223 H223 0.9500 . ?
C223 C224 1.382(9) . ?
C224 H224 0.9500 . ?
C224 C225 1.358(10) . ?
C225 H225 0.9500 . ?
C225 C226 1.383(9) . ?
C226 H226 0.9500 . ?
C231 C232 1.380(8) . ?
C232 H232 0.9500 . ?
C232 C233 1.400(8) . ?
C233 H233 0.9500 . ?
C233 C234 1.363(10) . ?
C234 H234 0.9500 . ?
C234 C235 1.369(9) . ?
C235 H235 0.9500 . ?
C311 C312 1.403(8) . ?
C311 C316 1.377(8) . ?
C312 H312 0.9500 . ?
C312 C313 1.382(8) . ?
C313 H313 0.9500 . ?
C313 C314 1.384(10) . ?
C314 H314 0.9500 . ?
C314 C315 1.375(10) . ?
C315 H315 0.9500 . ?
C315 C316 1.394(9) . ?
C316 H316 0.9500 . ?
C321 C322 1.391(9) . ?
C321 C326 1.367(9) . ?
C322 H322 0.9500 . ?
C322 C323 1.383(10) . ?
C323 H323 0.9500 . ?
C323 C324 1.362(11) . ?
C324 H324 0.9500 . ?
C324 C325 1.362(11) . ?
C325 H325 0.9500 . ?
C325 C326 1.385(10) . ?
C326 H326 0.9500 . ?
C331 C332 1.364(8) . ?
C332 H332 0.9500 . ?
C332 C333 1.360(9) . ?
C333 H333 0.9500 . ?
C333 C334 1.364(10) . ?
C334 H334 0.9500 . ?
C334 C335 1.399(9) . ?
C335 H335 0.9500 . ?
C411 C412 1.400(8) . ?
C411 C416 1.380(8) . ?
C412 H412 0.9500 . ?
C412 C413 1.388(9) . ?
C413 H413 0.9500 . ?
C413 C414 1.372(11) . ?
C414 H414 0.9500 . ?
C414 C415 1.375(11) . ?
C415 H415 0.9500 . ?
C415 C416 1.394(9) . ?
C416 H416 0.9500 . ?
C421 C422 1.329(10) . ?
C421 C426 1.391(9) . ?
C422 H422 0.9500 . ?
C422 C423 1.409(11) . ?
C423 H423 0.9500 . ?
C423 C424 1.339(13) . ?
C424 H424 0.9500 . ?
C424 C425 1.370(12) . ?
C425 H425 0.9500 . ?
C425 C426 1.380(10) . ?
C426 H426 0.9500 . ?
C431 C432 1.373(8) . ?
C432 H432 0.9500 . ?
C432 C433 1.386(8) . ?
C433 H433 0.9500 . ?
C433 C434 1.364(9) . ?
C434 H434 0.9500 . ?
C434 C435 1.390(8) . ?
C435 H435 0.9500 . ?
Cl1S C1S 1.727(10) . ?
Cl2S C1S 1.754(10) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
Cl3S C2S 1.742(16) . ?
Cl4S C2S 1.701(15) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
P5 F1 1.546(5) . ?
P5 F2 1.574(5) . ?
P5 F3 1.581(6) . ?
P5 F4 1.577(6) . ?
P5 F5 1.587(4) . ?
P5 F6 1.584(4) . ?
P6 F7 1.587(4) . ?
P6 F8 1.600(4) . ?
P6 F9 1.587(4) . ?
P6 F10 1.561(5) . ?
P6 F11 1.570(5) . ?
P6 F12 1.605(5) . ?

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 54.62(2) . . ?
Cu2 Pt1 Cu3 54.53(2) . . ?
Cu2 Pt1 Cu4 77.13(2) . . ?
Cu3 Pt1 Cu1 84.58(2) . . ?
Cu4 Pt1 Cu1 54.40(2) . . ?
Cu4 Pt1 Cu3 55.10(2) . . ?
P1 Pt1 Cu1 99.74(4) . . ?
P1 Pt1 Cu2 77.93(4) . . ?
P1 Pt1 Cu3 117.65(4) . . ?
P1 Pt1 Cu4 151.73(4) . . ?
P2 Pt1 Cu1 118.28(4) . . ?
P2 Pt1 Cu2 153.62(4) . . ?
P2 Pt1 Cu3 101.64(4) . . ?
P2 Pt1 Cu4 79.39(4) . . ?
P2 Pt1 P1 127.48(5) . . ?
C11 Pt1 Cu1 42.80(15) . . ?
C11 Pt1 Cu2 91.46(15) . . ?
C11 Pt1 Cu3 125.95(15) . . ?
C11 Pt1 Cu4 79.19(15) . . ?
C11 Pt1 P1 88.37(15) . . ?
C11 Pt1 P2 95.80(15) . . ?
C31 Pt1 Cu1 126.35(16) . . ?
C31 Pt1 Cu2 80.42(15) . . ?
C31 Pt1 Cu3 42.91(16) . . ?
C31 Pt1 Cu4 91.47(15) . . ?
C31 Pt1 P1 97.32(15) . . ?
C31 Pt1 P2 88.37(15) . . ?
C31 Pt1 C11 168.8(2) . . ?
Cu2 Pt2 Cu1 54.25(2) . . ?
Cu2 Pt2 Cu3 54.08(2) . . ?
Cu2 Pt2 Cu4 75.95(2) . . ?
Cu3 Pt2 Cu1 83.88(2) . . ?
Cu4 Pt2 Cu1 53.72(2) . . ?
Cu4 Pt2 Cu3 54.35(2) . . ?
P3 Pt2 Cu1 99.21(4) . . ?
P3 Pt2 Cu2 149.98(4) . . ?
P3 Pt2 Cu3 115.71(4) . . ?
P3 Pt2 Cu4 76.43(4) . . ?
P3 Pt2 P4 131.79(5) . . ?
P4 Pt2 Cu1 116.63(4) . . ?
P4 Pt2 Cu2 77.43(4) . . ?
P4 Pt2 Cu3 99.96(4) . . ?
P4 Pt2 Cu4 150.95(4) . . ?
C21 Pt2 Cu1 43.50(16) . . ?
C21 Pt2 Cu2 80.61(16) . . ?
C21 Pt2 Cu3 126.18(16) . . ?
C21 Pt2 Cu4 90.85(16) . . ?
C21 Pt2 P3 88.28(15) . . ?
C21 Pt2 P4 96.11(15) . . ?
C21 Pt2 C41 169.3(2) . . ?
C41 Pt2 Cu1 126.09(16) . . ?
C41 Pt2 Cu2 90.35(15) . . ?
C41 Pt2 Cu3 43.14(16) . . ?
C41 Pt2 Cu4 81.38(16) . . ?
C41 Pt2 P3 96.94(15) . . ?
C41 Pt2 P4 87.38(15) . . ?
Pt1 Cu1 Pt2 95.47(2) . . ?
Cu2 Cu1 Pt1 59.19(2) . . ?
Cu2 Cu1 Pt2 59.43(2) . . ?
Cu4 Cu1 Pt1 59.34(2) . . ?
Cu4 Cu1 Pt2 60.36(2) . . ?
Cu4 Cu1 Cu2 82.31(3) . . ?
C11 Cu1 Pt1 43.64(15) . . ?
C11 Cu1 Pt2 137.43(16) . . ?
C11 Cu1 Cu2 96.37(15) . . ?
C11 Cu1 Cu4 83.59(15) . . ?
C11 Cu1 C12 34.1(2) . . ?
C11 Cu1 C21 179.2(2) . . ?
C11 Cu1 C22 144.9(2) . . ?
C12 Cu1 Pt1 77.63(15) . . ?
C12 Cu1 Pt2 167.47(15) . . ?
C12 Cu1 Cu2 123.02(15) . . ?
C12 Cu1 Cu4 107.17(15) . . ?
C21 Cu1 Pt1 137.06(15) . . ?
C21 Cu1 Pt2 43.09(15) . . ?
C21 Cu1 Cu2 84.44(15) . . ?
C21 Cu1 Cu4 96.54(15) . . ?
C21 Cu1 C12 145.2(2) . . ?
C21 Cu1 C22 34.6(2) . . ?
C22 Cu1 Pt1 167.46(15) . . ?
C22 Cu1 Pt2 77.59(15) . . ?
C22 Cu1 Cu2 108.34(15) . . ?
C22 Cu1 Cu4 123.39(16) . . ?
C22 Cu1 C12 111.0(2) . . ?
Pt1 Cu2 Pt2 103.95(2) . . ?
Cu1 Cu2 Pt1 66.19(2) . . ?
Cu1 Cu2 Pt2 66.33(2) . . ?
Cu3 Cu2 Pt1 65.93(2) . . ?
Cu3 Cu2 Pt2 66.21(3) . . ?
Cu3 Cu2 Cu1 98.00(3) . . ?
N1 Cu2 Pt1 94.40(13) . . ?
N1 Cu2 Pt2 131.03(13) . . ?
N1 Cu2 Cu1 81.25(12) . . ?
N1 Cu2 Cu3 158.20(14) . . ?
N1 Cu2 N4 108.18(17) . . ?
N4 Cu2 Pt1 130.89(13) . . ?
N4 Cu2 Pt2 93.28(13) . . ?
N4 Cu2 Cu1 157.70(13) . . ?
N4 Cu2 Cu3 80.65(13) . . ?
Pt1 Cu3 Pt2 96.07(2) . . ?
Cu2 Cu3 Pt1 59.55(2) . . ?
Cu2 Cu3 Pt2 59.71(2) . . ?
Cu2 Cu3 Cu4 82.12(3) . . ?
Cu4 Cu3 Pt1 59.35(2) . . ?
Cu4 Cu3 Pt2 60.29(2) . . ?
C31 Cu3 Pt1 43.91(15) . . ?
C31 Cu3 Pt2 138.47(16) . . ?
C31 Cu3 Cu2 85.05(16) . . ?
C31 Cu3 Cu4 96.19(15) . . ?
C31 Cu3 C32 34.0(2) . . ?
C31 Cu3 C41 177.3(2) . . ?
C31 Cu3 C42 143.5(2) . . ?
C32 Cu3 Pt1 77.85(14) . . ?
C32 Cu3 Pt2 168.31(15) . . ?
C32 Cu3 Cu2 108.73(15) . . ?
C32 Cu3 Cu4 122.53(14) . . ?
C41 Cu3 Pt1 138.62(16) . . ?
C41 Cu3 Pt2 43.63(16) . . ?
C41 Cu3 Cu2 95.85(16) . . ?
C41 Cu3 Cu4 86.47(15) . . ?
C41 Cu3 C32 143.5(2) . . ?
C41 Cu3 C42 34.3(2) . . ?
C42 Cu3 Pt1 169.48(15) . . ?
C42 Cu3 Pt2 77.85(16) . . ?
C42 Cu3 Cu2 122.34(16) . . ?
C42 Cu3 Cu4 110.15(15) . . ?
C42 Cu3 C32 109.6(2) . . ?
Pt1 Cu4 Pt2 102.96(2) . . ?
Cu1 Cu4 Pt1 66.27(3) . . ?
Cu1 Cu4 Pt2 65.92(2) . . ?
Cu1 Cu4 Cu3 97.57(3) . . ?
Cu3 Cu4 Pt1 65.55(2) . . ?
Cu3 Cu4 Pt2 65.36(2) . . ?
N2 Cu4 Pt1 93.61(13) . . ?
N2 Cu4 Pt2 132.77(13) . . ?
N2 Cu4 Cu1 157.02(14) . . ?
N2 Cu4 Cu3 82.91(12) . . ?
N3 Cu4 Pt1 131.73(12) . . ?
N3 Cu4 Pt2 93.05(13) . . ?
N3 Cu4 Cu1 80.21(13) . . ?
N3 Cu4 Cu3 156.67(13) . . ?
N3 Cu4 N2 108.18(18) . . ?
C111 P1 Pt1 117.08(17) . . ?
C121 P1 Pt1 115.53(18) . . ?
C121 P1 C111 103.9(3) . . ?
C121 P1 C131 104.6(3) . . ?
C131 P1 Pt1 112.74(19) . . ?
C131 P1 C111 101.2(2) . . ?
C211 P2 Pt1 115.69(19) . . ?
C211 P2 C221 102.8(3) . . ?
C211 P2 C231 105.9(2) . . ?
C221 P2 Pt1 118.10(18) . . ?
C221 P2 C231 100.9(2) . . ?
C231 P2 Pt1 111.72(18) . . ?
C311 P3 Pt2 119.61(18) . . ?
C311 P3 C321 103.2(3) . . ?
C311 P3 C331 102.8(2) . . ?
C321 P3 Pt2 113.98(18) . . ?
C321 P3 C331 104.3(3) . . ?
C331 P3 Pt2 111.24(18) . . ?
C411 P4 Pt2 117.78(18) . . ?
C411 P4 C421 101.9(3) . . ?
C411 P4 C431 104.3(2) . . ?
C421 P4 Pt2 115.7(2) . . ?
C431 P4 Pt2 111.73(17) . . ?
C431 P4 C421 103.8(3) . . ?
C26 O1 C29 117.2(5) . . ?
C16 O2 C19 118.0(5) . . ?
C36 O3 C39 117.3(5) . . ?
C46 O4 C49 117.7(5) . . ?
C131 N1 Cu2 121.1(4) . . ?
C135 N1 Cu2 120.2(4) . . ?
C135 N1 C131 118.6(5) . . ?
C231 N2 Cu4 121.9(4) . . ?
C235 N2 Cu4 120.0(4) . . ?
C235 N2 C231 118.1(5) . . ?
C331 N3 Cu4 121.9(3) . . ?
C335 N3 Cu4 120.1(4) . . ?
C335 N3 C331 117.8(5) . . ?
C431 N4 Cu2 122.2(4) . . ?
C435 N4 Cu2 119.9(4) . . ?
C435 N4 C431 117.9(5) . . ?
Cu1 C11 Pt1 93.6(2) . . ?
C12 C11 Pt1 173.2(5) . . ?
C12 C11 Cu1 82.2(4) . . ?
C11 C12 Cu1 63.7(3) . . ?
C11 C12 C13 164.2(6) . . ?
C13 C12 Cu1 130.9(4) . . ?
C14 C13 C12 120.4(5) . . ?
C14 C13 C18 117.6(5) . . ?
C18 C13 C12 122.0(5) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.6(6) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 119.7 . . ?
C14 C15 C16 120.6(6) . . ?
C16 C15 H15 119.7 . . ?
O2 C16 C15 116.0(5) . . ?
C17 C16 O2 123.9(5) . . ?
C17 C16 C15 120.0(5) . . ?
C16 C17 H17 120.4 . . ?
C16 C17 C18 119.3(5) . . ?
C18 C17 H17 120.4 . . ?
C13 C18 H18 119.1 . . ?
C17 C18 C13 121.9(6) . . ?
C17 C18 H18 119.1 . . ?
O2 C19 H19A 109.5 . . ?
O2 C19 H19B 109.5 . . ?
O2 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Pt2 C21 Cu1 93.4(2) . . ?
C22 C21 Pt2 171.0(5) . . ?
C22 C21 Cu1 78.6(4) . . ?
C21 C22 Cu1 66.8(4) . . ?
C21 C22 C23 170.3(6) . . ?
C23 C22 Cu1 122.4(4) . . ?
C24 C23 C22 121.5(5) . . ?
C28 C23 C22 119.5(5) . . ?
C28 C23 C24 119.0(5) . . ?
C23 C24 H24 120.4 . . ?
C25 C24 C23 119.3(6) . . ?
C25 C24 H24 120.4 . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.4(6) . . ?
C26 C25 H25 119.8 . . ?
O1 C26 C25 115.3(5) . . ?
O1 C26 C27 123.9(6) . . ?
C27 C26 C25 120.8(5) . . ?
C26 C27 H27 120.7 . . ?
C26 C27 C28 118.6(6) . . ?
C28 C27 H27 120.7 . . ?
C23 C28 C27 121.9(6) . . ?
C23 C28 H28 119.0 . . ?
C27 C28 H28 119.0 . . ?
O1 C29 H29A 109.5 . . ?
O1 C29 H29B 109.5 . . ?
O1 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Cu3 C31 Pt1 93.2(2) . . ?
C32 C31 Pt1 173.5(5) . . ?
C32 C31 Cu3 82.2(4) . . ?
C31 C32 Cu3 63.7(3) . . ?
C31 C32 C33 165.4(6) . . ?
C33 C32 Cu3 130.1(4) . . ?
C34 C33 C32 122.1(5) . . ?
C34 C33 C38 117.4(5) . . ?
C38 C33 C32 120.5(5) . . ?
C33 C34 H34 119.0 . . ?
C33 C34 C35 121.9(6) . . ?
C35 C34 H34 119.0 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.1(6) . . ?
C36 C35 H35 119.9 . . ?
O3 C36 C37 115.9(5) . . ?
C35 C36 O3 124.8(5) . . ?
C35 C36 C37 119.4(5) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 C36 120.6(6) . . ?
C38 C37 H37 119.7 . . ?
C33 C38 H38 119.7 . . ?
C37 C38 C33 120.6(6) . . ?
C37 C38 H38 119.7 . . ?
O3 C39 H39A 109.5 . . ?
O3 C39 H39B 109.5 . . ?
O3 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Cu3 C41 Pt2 93.2(2) . . ?
C42 C41 Pt2 171.7(5) . . ?
C42 C41 Cu3 79.4(4) . . ?
C41 C42 Cu3 66.3(3) . . ?
C41 C42 C43 169.5(6) . . ?
C43 C42 Cu3 123.5(4) . . ?
C44 C43 C42 119.5(5) . . ?
C48 C43 C42 122.6(5) . . ?
C48 C43 C44 117.8(5) . . ?
C43 C44 H44 119.4 . . ?
C45 C44 C43 121.2(6) . . ?
C45 C44 H44 119.4 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 C44 119.9(6) . . ?
C46 C45 H45 120.0 . . ?
O4 C46 C47 115.5(5) . . ?
C45 C46 O4 124.8(5) . . ?
C45 C46 C47 119.7(5) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 C46 120.2(6) . . ?
C48 C47 H47 119.9 . . ?
C43 C48 H48 119.5 . . ?
C47 C48 C43 121.1(6) . . ?
C47 C48 H48 119.5 . . ?
O4 C49 H49A 109.5 . . ?
O4 C49 H49B 109.5 . . ?
O4 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C112 C111 P1 117.7(5) . . ?
C116 C111 P1 122.8(4) . . ?
C116 C111 C112 119.4(6) . . ?
C111 C112 H112 120.3 . . ?
C113 C112 C111 119.5(6) . . ?
C113 C112 H112 120.3 . . ?
C112 C113 H113 119.2 . . ?
C114 C113 C112 121.6(6) . . ?
C114 C113 H113 119.2 . . ?
C113 C114 H114 120.8 . . ?
C113 C114 C115 118.5(6) . . ?
C115 C114 H114 120.8 . . ?
C114 C115 H115 119.2 . . ?
C114 C115 C116 121.6(6) . . ?
C116 C115 H115 119.2 . . ?
C111 C116 C115 119.4(6) . . ?
C111 C116 H116 120.3 . . ?
C115 C116 H116 120.3 . . ?
C122 C121 P1 123.8(5) . . ?
C122 C121 C126 119.0(5) . . ?
C126 C121 P1 117.1(4) . . ?
C121 C122 H122 119.7 . . ?
C121 C122 C123 120.5(6) . . ?
C123 C122 H122 119.7 . . ?
C122 C123 H123 120.0 . . ?
C124 C123 C122 120.0(6) . . ?
C124 C123 H123 120.0 . . ?
C123 C124 H124 119.9 . . ?
C123 C124 C125 120.3(6) . . ?
C125 C124 H124 119.9 . . ?
C124 C125 H125 120.3 . . ?
C126 C125 C124 119.4(6) . . ?
C126 C125 H125 120.3 . . ?
C121 C126 H126 119.6 . . ?
C125 C126 C121 120.7(6) . . ?
C125 C126 H126 119.6 . . ?
N1 C131 P1 115.1(4) . . ?
N1 C131 C132 121.1(5) . . ?
C132 C131 P1 123.7(5) . . ?
C131 C132 H132 119.9 . . ?
C133 C132 C131 120.2(6) . . ?
C133 C132 H132 119.9 . . ?
C132 C133 H133 120.6 . . ?
C134 C133 C132 118.8(6) . . ?
C134 C133 H133 120.6 . . ?
C133 C134 H134 120.6 . . ?
C133 C134 C135 118.7(6) . . ?
C135 C134 H134 120.6 . . ?
N1 C135 C134 122.5(6) . . ?
N1 C135 H135 118.8 . . ?
C134 C135 H135 118.8 . . ?
C212 C211 P2 117.2(4) . . ?
C216 C211 P2 123.9(4) . . ?
C216 C211 C212 118.9(5) . . ?
C211 C212 H212 119.8 . . ?
C213 C212 C211 120.4(6) . . ?
C213 C212 H212 119.8 . . ?
C212 C213 H213 119.7 . . ?
C212 C213 C214 120.5(6) . . ?
C214 C213 H213 119.7 . . ?
C213 C214 H214 120.2 . . ?
C213 C214 C215 119.6(6) . . ?
C215 C214 H214 120.2 . . ?
C214 C215 H215 120.0 . . ?
C216 C215 C214 120.1(7) . . ?
C216 C215 H215 120.0 . . ?
C211 C216 H216 119.8 . . ?
C215 C216 C211 120.4(6) . . ?
C215 C216 H216 119.8 . . ?
C222 C221 P2 118.5(4) . . ?
C226 C221 P2 123.1(5) . . ?
C226 C221 C222 118.3(6) . . ?
C221 C222 H222 119.6 . . ?
C223 C222 C221 120.8(6) . . ?
C223 C222 H222 119.6 . . ?
C222 C223 H223 120.0 . . ?
C224 C223 C222 120.0(6) . . ?
C224 C223 H223 120.0 . . ?
C223 C224 H224 120.3 . . ?
C225 C224 C223 119.4(6) . . ?
C225 C224 H224 120.3 . . ?
C224 C225 H225 119.4 . . ?
C224 C225 C226 121.3(6) . . ?
C226 C225 H225 119.4 . . ?
C221 C226 H226 119.9 . . ?
C225 C226 C221 120.2(6) . . ?
C225 C226 H226 119.9 . . ?
N2 C231 P2 115.7(4) . . ?
N2 C231 C232 122.4(5) . . ?
C232 C231 P2 121.9(5) . . ?
C231 C232 H232 120.7 . . ?
C231 C232 C233 118.5(6) . . ?
C233 C232 H232 120.7 . . ?
C232 C233 H233 120.7 . . ?
C234 C233 C232 118.5(6) . . ?
C234 C233 H233 120.7 . . ?
C233 C234 H234 120.2 . . ?
C233 C234 C235 119.7(6) . . ?
C235 C234 H234 120.2 . . ?
N2 C235 C234 122.7(6) . . ?
N2 C235 H235 118.6 . . ?
C234 C235 H235 118.6 . . ?
C312 C311 P3 118.8(4) . . ?
C316 C311 P3 122.0(4) . . ?
C316 C311 C312 119.1(5) . . ?
C311 C312 H312 119.9 . . ?
C313 C312 C311 120.3(6) . . ?
C313 C312 H312 119.9 . . ?
C312 C313 H313 119.8 . . ?
C312 C313 C314 120.3(6) . . ?
C314 C313 H313 119.8 . . ?
C313 C314 H314 120.3 . . ?
C315 C314 C313 119.5(6) . . ?
C315 C314 H314 120.3 . . ?
C314 C315 H315 119.6 . . ?
C314 C315 C316 120.8(6) . . ?
C316 C315 H315 119.6 . . ?
C311 C316 C315 120.1(6) . . ?
C311 C316 H316 120.0 . . ?
C315 C316 H316 120.0 . . ?
C322 C321 P3 119.7(5) . . ?
C326 C321 P3 122.7(5) . . ?
C326 C321 C322 117.5(6) . . ?
C321 C322 H322 119.6 . . ?
C323 C322 C321 120.7(7) . . ?
C323 C322 H322 119.6 . . ?
C322 C323 H323 119.8 . . ?
C324 C323 C322 120.5(7) . . ?
C324 C323 H323 119.8 . . ?
C323 C324 H324 120.2 . . ?
C325 C324 C323 119.5(7) . . ?
C325 C324 H324 120.2 . . ?
C324 C325 H325 119.9 . . ?
C324 C325 C326 120.2(7) . . ?
C326 C325 H325 119.9 . . ?
C321 C326 C325 121.6(7) . . ?
C321 C326 H326 119.2 . . ?
C325 C326 H326 119.2 . . ?
N3 C331 P3 113.5(4) . . ?
N3 C331 C332 121.2(5) . . ?
C332 C331 P3 125.3(5) . . ?
C331 C332 H332 119.4 . . ?
C333 C332 C331 121.2(7) . . ?
C333 C332 H332 119.4 . . ?
C332 C333 H333 120.5 . . ?
C332 C333 C334 118.9(6) . . ?
C334 C333 H333 120.5 . . ?
C333 C334 H334 121.0 . . ?
C333 C334 C335 118.0(6) . . ?
C335 C334 H334 121.0 . . ?
N3 C335 C334 122.9(6) . . ?
N3 C335 H335 118.6 . . ?
C334 C335 H335 118.6 . . ?
C412 C411 P4 117.3(4) . . ?
C416 C411 P4 123.6(4) . . ?
C416 C411 C412 119.0(6) . . ?
C411 C412 H412 120.1 . . ?
C413 C412 C411 119.7(6) . . ?
C413 C412 H412 120.1 . . ?
C412 C413 H413 119.7 . . ?
C414 C413 C412 120.6(7) . . ?
C414 C413 H413 119.7 . . ?
C413 C414 H414 119.9 . . ?
C413 C414 C415 120.1(6) . . ?
C415 C414 H414 119.9 . . ?
C414 C415 H415 120.1 . . ?
C414 C415 C416 119.9(7) . . ?
C416 C415 H415 120.1 . . ?
C411 C416 C415 120.6(6) . . ?
C411 C416 H416 119.7 . . ?
C415 C416 H416 119.7 . . ?
C422 C421 P4 121.4(6) . . ?
C422 C421 C426 118.2(6) . . ?
C426 C421 P4 120.4(5) . . ?
C421 C422 H422 119.4 . . ?
C421 C422 C423 121.3(8) . . ?
C423 C422 H422 119.4 . . ?
C422 C423 H423 120.1 . . ?
C424 C423 C422 119.9(9) . . ?
C424 C423 H423 120.1 . . ?
C423 C424 H424 119.9 . . ?
C423 C424 C425 120.3(8) . . ?
C425 C424 H424 119.9 . . ?
C424 C425 H425 120.4 . . ?
C424 C425 C426 119.1(8) . . ?
C426 C425 H425 120.4 . . ?
C421 C426 H426 119.4 . . ?
C425 C426 C421 121.1(7) . . ?
C425 C426 H426 119.4 . . ?
N4 C431 P4 113.9(4) . . ?
N4 C431 C432 121.9(5) . . ?
C432 C431 P4 124.1(4) . . ?
C431 C432 H432 120.2 . . ?
C431 C432 C433 119.6(6) . . ?
C433 C432 H432 120.2 . . ?
C432 C433 H433 120.5 . . ?
C434 C433 C432 119.1(5) . . ?
C434 C433 H433 120.5 . . ?
C433 C434 H434 120.8 . . ?
C433 C434 C435 118.3(5) . . ?
C435 C434 H434 120.8 . . ?
N4 C435 C434 123.2(5) . . ?
N4 C435 H435 118.4 . . ?
C434 C435 H435 118.4 . . ?
Cl1S C1S Cl2S 110.8(5) . . ?
Cl1S C1S H1SA 109.5 . . ?
Cl1S C1S H1SB 109.5 . . ?
Cl2S C1S H1SA 109.5 . . ?
Cl2S C1S H1SB 109.5 . . ?
H1SA C1S H1SB 108.1 . . ?
Cl3S C2S H2SA 109.3 . . ?
Cl3S C2S H2SB 109.3 . . ?
Cl4S C2S Cl3S 111.7(9) . . ?
Cl4S C2S H2SA 109.3 . . ?
Cl4S C2S H2SB 109.3 . . ?
H2SA C2S H2SB 107.9 . . ?
F1 P5 F2 179.0(4) . . ?
F1 P5 F3 92.5(5) . . ?
F1 P5 F4 90.0(5) . . ?
F1 P5 F5 89.7(3) . . ?
F1 P5 F6 90.3(3) . . ?
F2 P5 F3 87.1(4) . . ?
F2 P5 F4 90.5(4) . . ?
F2 P5 F5 91.2(3) . . ?
F2 P5 F6 88.8(3) . . ?
F3 P5 F5 90.2(3) . . ?
F3 P5 F6 89.3(3) . . ?
F4 P5 F3 177.5(4) . . ?
F4 P5 F5 90.3(3) . . ?
F4 P5 F6 90.2(3) . . ?
F6 P5 F5 179.5(3) . . ?
F7 P6 F8 179.2(3) . . ?
F7 P6 F12 89.3(3) . . ?
F8 P6 F12 90.2(2) . . ?
F9 P6 F7 90.0(2) . . ?
F9 P6 F8 89.5(2) . . ?
F9 P6 F12 88.4(3) . . ?
F10 P6 F7 90.7(3) . . ?
F10 P6 F8 89.9(3) . . ?
F10 P6 F9 177.7(4) . . ?
F10 P6 F11 92.7(4) . . ?
F10 P6 F12 89.4(3) . . ?
F11 P6 F7 91.1(3) . . ?
F11 P6 F8 89.4(2) . . ?
F11 P6 F9 89.6(3) . . ?
F11 P6 F12 177.9(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 P1 C111 C112 -51.4(5) . . . . ?
Pt1 P1 C111 C116 130.5(5) . . . . ?
Pt1 P1 C121 C122 124.2(5) . . . . ?
Pt1 P1 C121 C126 -52.4(5) . . . . ?
Pt1 P1 C131 N1 -29.5(4) . . . . ?
Pt1 P1 C131 C132 147.1(4) . . . . ?
Pt1 P2 C211 C212 -58.8(5) . . . . ?
Pt1 P2 C211 C216 122.2(5) . . . . ?
Pt1 P2 C221 C222 -42.9(5) . . . . ?
Pt1 P2 C221 C226 140.2(4) . . . . ?
Pt1 P2 C231 N2 -30.2(4) . . . . ?
Pt1 P2 C231 C232 146.9(4) . . . . ?
Pt2 P3 C311 C312 -43.1(5) . . . . ?
Pt2 P3 C311 C316 138.9(4) . . . . ?
Pt2 P3 C321 C322 -48.1(6) . . . . ?
Pt2 P3 C321 C326 128.3(5) . . . . ?
Pt2 P3 C331 N3 -41.9(4) . . . . ?
Pt2 P3 C331 C332 138.5(5) . . . . ?
Pt2 P4 C411 C412 -49.2(5) . . . . ?
Pt2 P4 C411 C416 133.3(4) . . . . ?
Pt2 P4 C421 C422 -21.1(9) . . . . ?
Pt2 P4 C421 C426 160.6(5) . . . . ?
Pt2 P4 C431 N4 -35.9(4) . . . . ?
Pt2 P4 C431 C432 141.8(4) . . . . ?
Cu1 C11 C12 C13 -160(2) . . . . ?
Cu1 C12 C13 C14 -71.7(8) . . . . ?
Cu1 C12 C13 C18 110.5(6) . . . . ?
Cu1 C22 C23 C24 108.6(6) . . . . ?
Cu1 C22 C23 C28 -70.1(7) . . . . ?
Cu2 N1 C131 P1 -6.5(5) . . . . ?
Cu2 N1 C131 C132 176.9(4) . . . . ?
Cu2 N1 C135 C134 -175.8(4) . . . . ?
Cu2 N4 C431 P4 -1.4(5) . . . . ?
Cu2 N4 C431 C432 -179.1(4) . . . . ?
Cu2 N4 C435 C434 179.5(4) . . . . ?
Cu3 C31 C32 C33 -162(2) . . . . ?
Cu3 C32 C33 C34 80.4(7) . . . . ?
Cu3 C32 C33 C38 -100.8(7) . . . . ?
Cu3 C41 C42 C43 -159(3) . . . . ?
Cu3 C42 C43 C44 -99.9(6) . . . . ?
Cu3 C42 C43 C48 77.0(7) . . . . ?
Cu4 N2 C231 P2 -4.3(5) . . . . ?
Cu4 N2 C231 C232 178.6(4) . . . . ?
Cu4 N2 C235 C234 -179.4(4) . . . . ?
Cu4 N3 C331 P3 3.9(6) . . . . ?
Cu4 N3 C331 C332 -176.4(4) . . . . ?
Cu4 N3 C335 C334 176.5(5) . . . . ?
P1 C111 C112 C113 -176.8(5) . . . . ?
P1 C111 C116 C115 177.6(5) . . . . ?
P1 C121 C122 C123 -175.8(5) . . . . ?
P1 C121 C126 C125 176.7(5) . . . . ?
P1 C131 C132 C133 -178.5(5) . . . . ?
P2 C211 C212 C213 -178.8(5) . . . . ?
P2 C211 C216 C215 -179.5(6) . . . . ?
P2 C221 C222 C223 -175.1(5) . . . . ?
P2 C221 C226 C225 175.8(5) . . . . ?
P2 C231 C232 C233 -176.2(4) . . . . ?
P3 C311 C312 C313 -179.1(5) . . . . ?
P3 C311 C316 C315 178.9(5) . . . . ?
P3 C321 C322 C323 177.1(6) . . . . ?
P3 C321 C326 C325 -176.9(7) . . . . ?
P3 C331 C332 C333 -179.9(5) . . . . ?
P4 C411 C412 C413 -179.6(5) . . . . ?
P4 C411 C416 C415 179.1(5) . . . . ?
P4 C421 C422 C423 -178.2(9) . . . . ?
P4 C421 C426 C425 178.6(6) . . . . ?
P4 C431 C432 C433 -178.6(5) . . . . ?
O1 C26 C27 C28 -178.6(6) . . . . ?
O2 C16 C17 C18 179.7(7) . . . . ?
O3 C36 C37 C38 179.1(6) . . . . ?
O4 C46 C47 C48 179.1(7) . . . . ?
N1 C131 C132 C133 -2.1(9) . . . . ?
N2 C231 C232 C233 0.7(8) . . . . ?
N3 C331 C332 C333 0.5(9) . . . . ?
N4 C431 C432 C433 -1.1(9) . . . . ?
C11 C12 C13 C14 84(2) . . . . ?
C11 C12 C13 C18 -94(2) . . . . ?
C12 C13 C14 C15 -177.3(7) . . . . ?
C12 C13 C18 C17 177.7(6) . . . . ?
C13 C14 C15 C16 -0.1(13) . . . . ?
C14 C13 C18 C17 -0.1(10) . . . . ?
C14 C15 C16 O2 -179.4(7) . . . . ?
C14 C15 C16 C17 -0.9(12) . . . . ?
C15 C16 C17 C18 1.3(11) . . . . ?
C16 C17 C18 C13 -0.8(10) . . . . ?
C18 C13 C14 C15 0.5(11) . . . . ?
C19 O2 C16 C15 179.9(7) . . . . ?
C19 O2 C16 C17 1.4(11) . . . . ?
C22 C23 C24 C25 -177.9(6) . . . . ?
C22 C23 C28 C27 177.4(6) . . . . ?
C23 C24 C25 C26 0.7(10) . . . . ?
C24 C23 C28 C27 -1.3(10) . . . . ?
C24 C25 C26 O1 178.1(6) . . . . ?
C24 C25 C26 C27 -1.7(10) . . . . ?
C25 C26 C27 C28 1.3(10) . . . . ?
C26 C27 C28 C23 0.2(10) . . . . ?
C28 C23 C24 C25 0.8(10) . . . . ?
C29 O1 C26 C25 179.2(6) . . . . ?
C29 O1 C26 C27 -0.9(10) . . . . ?
C31 C32 C33 C34 -120(2) . . . . ?
C31 C32 C33 C38 59(2) . . . . ?
C32 C33 C34 C35 178.3(6) . . . . ?
C32 C33 C38 C37 -178.3(6) . . . . ?
C33 C34 C35 C36 -0.1(11) . . . . ?
C34 C33 C38 C37 0.5(10) . . . . ?
C34 C35 C36 O3 -179.1(6) . . . . ?
C34 C35 C36 C37 0.9(11) . . . . ?
C35 C36 C37 C38 -0.9(11) . . . . ?
C36 C37 C38 C33 0.2(11) . . . . ?
C38 C33 C34 C35 -0.5(10) . . . . ?
C39 O3 C36 C35 0.7(10) . . . . ?
C39 O3 C36 C37 -179.2(7) . . . . ?
C41 C42 C43 C44 57(3) . . . . ?
C41 C42 C43 C48 -126(3) . . . . ?
C42 C43 C44 C45 177.3(6) . . . . ?
C42 C43 C48 C47 -177.1(6) . . . . ?
C43 C44 C45 C46 0.1(10) . . . . ?
C44 C43 C48 C47 -0.1(10) . . . . ?
C44 C45 C46 O4 -178.9(6) . . . . ?
C44 C45 C46 C47 -0.6(10) . . . . ?
C45 C46 C47 C48 0.7(11) . . . . ?
C46 C47 C48 C43 -0.3(12) . . . . ?
C48 C43 C44 C45 0.2(10) . . . . ?
C49 O4 C46 C45 -3.3(11) . . . . ?
C49 O4 C46 C47 178.4(7) . . . . ?
C111 P1 C121 C122 -106.1(5) . . . . ?
C111 P1 C121 C126 77.2(5) . . . . ?
C111 P1 C131 N1 -155.4(4) . . . . ?
C111 P1 C131 C132 21.1(5) . . . . ?
C111 C112 C113 C114 -1.1(11) . . . . ?
C112 C111 C116 C115 -0.4(9) . . . . ?
C112 C113 C114 C115 -0.1(11) . . . . ?
C113 C114 C115 C116 1.1(10) . . . . ?
C114 C115 C116 C111 -0.8(10) . . . . ?
C116 C111 C112 C113 1.3(10) . . . . ?
C121 P1 C111 C112 179.9(5) . . . . ?
C121 P1 C111 C116 1.8(6) . . . . ?
C121 P1 C131 N1 96.9(4) . . . . ?
C121 P1 C131 C132 -86.6(5) . . . . ?
C121 C122 C123 C124 -0.9(11) . . . . ?
C122 C121 C126 C125 -0.1(9) . . . . ?
C122 C123 C124 C125 0.3(12) . . . . ?
C123 C124 C125 C126 0.3(11) . . . . ?
C124 C125 C126 C121 -0.4(10) . . . . ?
C126 C121 C122 C123 0.8(9) . . . . ?
C131 P1 C111 C112 71.6(5) . . . . ?
C131 P1 C111 C116 -106.5(5) . . . . ?
C131 P1 C121 C122 -0.4(6) . . . . ?
C131 P1 C121 C126 -177.0(4) . . . . ?
C131 N1 C135 C134 0.6(8) . . . . ?
C131 C132 C133 C134 2.6(9) . . . . ?
C132 C133 C134 C135 -1.4(9) . . . . ?
C133 C134 C135 N1 -0.2(9) . . . . ?
C135 N1 C131 P1 177.1(4) . . . . ?
C135 N1 C131 C132 0.5(8) . . . . ?
C211 P2 C221 C222 -171.6(5) . . . . ?
C211 P2 C221 C226 11.5(5) . . . . ?
C211 P2 C231 N2 96.6(4) . . . . ?
C211 P2 C231 C232 -86.3(5) . . . . ?
C211 C212 C213 C214 -0.2(11) . . . . ?
C212 C211 C216 C215 1.5(10) . . . . ?
C212 C213 C214 C215 -1.5(13) . . . . ?
C213 C214 C215 C216 3.2(13) . . . . ?
C214 C215 C216 C211 -3.2(12) . . . . ?
C216 C211 C212 C213 0.3(10) . . . . ?
C221 P2 C211 C212 71.4(5) . . . . ?
C221 P2 C211 C216 -107.6(6) . . . . ?
C221 P2 C231 N2 -156.5(4) . . . . ?
C221 P2 C231 C232 20.5(5) . . . . ?
C221 C222 C223 C224 -1.1(10) . . . . ?
C222 C221 C226 C225 -1.0(9) . . . . ?
C222 C223 C224 C225 -0.6(11) . . . . ?
C223 C224 C225 C226 1.5(11) . . . . ?
C224 C225 C226 C221 -0.7(10) . . . . ?
C226 C221 C222 C223 1.9(9) . . . . ?
C231 P2 C211 C212 176.9(5) . . . . ?
C231 P2 C211 C216 -2.1(6) . . . . ?
C231 P2 C221 C222 79.1(5) . . . . ?
C231 P2 C221 C226 -97.8(5) . . . . ?
C231 N2 C235 C234 0.9(8) . . . . ?
C231 C232 C233 C234 1.0(9) . . . . ?
C232 C233 C234 C235 -1.7(9) . . . . ?
C233 C234 C235 N2 0.8(9) . . . . ?
C235 N2 C231 P2 175.4(4) . . . . ?
C235 N2 C231 C232 -1.6(8) . . . . ?
C311 P3 C321 C322 -179.4(5) . . . . ?
C311 P3 C321 C326 -3.0(6) . . . . ?
C311 P3 C331 N3 87.3(4) . . . . ?
C311 P3 C331 C332 -92.3(5) . . . . ?
C311 C312 C313 C314 0.3(9) . . . . ?
C312 C311 C316 C315 0.9(9) . . . . ?
C312 C313 C314 C315 0.5(10) . . . . ?
C313 C314 C315 C316 -0.7(11) . . . . ?
C314 C315 C316 C311 -0.1(11) . . . . ?
C316 C311 C312 C313 -1.0(9) . . . . ?
C321 P3 C311 C312 84.7(5) . . . . ?
C321 P3 C311 C316 -93.2(5) . . . . ?
C321 P3 C331 N3 -165.2(4) . . . . ?
C321 P3 C331 C332 15.1(6) . . . . ?
C321 C322 C323 C324 0.4(12) . . . . ?
C322 C321 C326 C325 -0.4(11) . . . . ?
C322 C323 C324 C325 -1.3(12) . . . . ?
C323 C324 C325 C326 1.4(13) . . . . ?
C324 C325 C326 C321 -0.5(14) . . . . ?
C326 C321 C322 C323 0.5(10) . . . . ?
C331 P3 C311 C312 -166.9(4) . . . . ?
C331 P3 C311 C316 15.1(6) . . . . ?
C331 P3 C321 C322 73.4(5) . . . . ?
C331 P3 C321 C326 -110.2(6) . . . . ?
C331 N3 C335 C334 0.6(8) . . . . ?
C331 C332 C333 C334 -0.3(10) . . . . ?
C332 C333 C334 C335 0.3(10) . . . . ?
C333 C334 C335 N3 -0.5(9) . . . . ?
C335 N3 C331 P3 179.8(4) . . . . ?
C335 N3 C331 C332 -0.6(8) . . . . ?
C411 P4 C421 C422 -150.1(8) . . . . ?
C411 P4 C421 C426 31.5(6) . . . . ?
C411 P4 C431 N4 92.4(4) . . . . ?
C411 P4 C431 C432 -90.0(5) . . . . ?
C411 C412 C413 C414 1.7(11) . . . . ?
C412 C411 C416 C415 1.6(9) . . . . ?
C412 C413 C414 C415 -0.9(11) . . . . ?
C413 C414 C415 C416 0.6(11) . . . . ?
C414 C415 C416 C411 -0.9(10) . . . . ?
C416 C411 C412 C413 -2.0(9) . . . . ?
C421 P4 C411 C412 78.5(5) . . . . ?
C421 P4 C411 C416 -99.0(5) . . . . ?
C421 P4 C431 N4 -161.2(4) . . . . ?
C421 P4 C431 C432 16.4(6) . . . . ?
C421 C422 C423 C424 -3(2) . . . . ?
C422 C421 C426 C425 0.2(12) . . . . ?
C422 C423 C424 C425 4.6(18) . . . . ?
C423 C424 C425 C426 -4.2(15) . . . . ?
C424 C425 C426 C421 1.7(12) . . . . ?
C426 C421 C422 C423 0.2(16) . . . . ?
C431 P4 C411 C412 -173.7(5) . . . . ?
C431 P4 C411 C416 8.8(5) . . . . ?
C431 P4 C421 C422 101.7(8) . . . . ?
C431 P4 C421 C426 -76.7(6) . . . . ?
C431 N4 C435 C434 -0.2(8) . . . . ?
C431 C432 C433 C434 1.1(9) . . . . ?
C432 C433 C434 C435 -0.7(9) . . . . ?
C433 C434 C435 N4 0.3(9) . . . . ?
C435 N4 C431 P4 178.4(4) . . . . ?
C435 N4 C431 C432 0.6(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.299
_oxdiff_exptl_absorpt_empirical_full_min 0.708
####################################################################### 
# 
# 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_nap-cu4pt2
_database_code_depnum_ccdc_archive 'CCDC 2330689'
loop_
_audit_author_name
_audit_author_address
'Shang-Fu Yuan'
;Jinan University
China
;
_audit_update_record             
;
2024-02-03 deposited with the CCDC.	2024-04-23 downloaded from the CCDC.
;
_audit_creation_date             2022-11-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C116 H84 Cu4 N4 P4 Pt2, 2(F6 P)'
_chemical_formula_sum            'C116 H84 Cu4 F12 N4 P6 Pt2'
_chemical_formula_weight         2592.03
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   22.2403(3)
_cell_length_b                   19.9911(2)
_cell_length_c                   22.5255(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.3900(10)
_cell_angle_gamma                90
_cell_volume                     9985.6(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    12878
_cell_measurement_temperature    100.01(11)
_cell_measurement_theta_max      77.5310
_cell_measurement_theta_min      4.7980
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.575
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69028
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brownish-red
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5112
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_unetI/netI     0.0390
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            22880
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.264
_diffrn_reflns_theta_min         2.976
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(11)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -40.00  32.00   0.50    6.25    --   -2.20 -82.00-150.00  144
  2  ω    -31.00  39.00   0.50    6.25    --    2.20  82.00 150.00  140
  3  ω     92.00 175.00   0.50   24.99    --  106.30  38.00-150.00  166
  4  ω     83.00 168.00   0.50   24.99    --  106.30  38.00 -60.00  170
  5  ω     22.00 131.00   0.50   24.99    --  106.30 -77.00  60.00  218
  6  ω    101.00 164.00   0.50   24.99    --  106.30  38.00-180.00  126
  7  ω     29.00 133.00   0.50   24.99    --  106.30 -57.00  60.00  208
  8  ω    123.00 183.00   0.50   24.99    --  106.30  38.00 -90.00  120
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0324919000
_diffrn_orient_matrix_UB_12      0.0424407000
_diffrn_orient_matrix_UB_13      0.0498075000
_diffrn_orient_matrix_UB_21      0.0443056000
_diffrn_orient_matrix_UB_22      -0.0579810000
_diffrn_orient_matrix_UB_23      0.0147493000
_diffrn_orient_matrix_UB_31      0.0425898000
_diffrn_orient_matrix_UB_32      0.0278555000
_diffrn_orient_matrix_UB_33      -0.0447310000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8898
_reflns_number_total             10183
_reflns_odcompleteness_completeness 98.98
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_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         1.725
_refine_diff_density_min         -1.596
_refine_diff_density_rms         0.166
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     650
_refine_ls_number_reflns         10183
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0469
_refine_ls_restrained_S_all      1.089
_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)+(0.0960P)²+7.7116P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1313
_refine_ls_wR_factor_ref         0.1350
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim C18 \\sim C19 \\sim C19 \\sim
C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.01
3.a Aromatic/amide H refined with riding coordinates:
 C235(H235), C116(H116), C12(H12), C4(H4), C212(H212), C215(H215), C5(H5),
 C234(H234), C122(H122), C232(H232), C112(H112), C133(H133), C134(H134),
 C226(H226), C216(H216), C135(H135), C132(H132), C113(H113), C222(H222),
 C214(H214), C10(H10), C115(H115), C225(H225), C213(H213), C7(H7), C224(H224),
 C123(H123), C9(H9), C126(H126), C233(H233), C8(H8), C21(H21), C24(H24),
 C18(H18), C20(H20), C223(H223), C114(H114), C23(H23), C125(H125), C124(H124),
 C16(H16), C19(H19)
;
_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 0.5000 0.59172(2) 0.7500 0.01845(9) Uani 1 2 d S T P . .
Pt2 Pt 0.5000 0.80210(2) 0.7500 0.01925(9) Uani 1 2 d S T P . .
Cu2 Cu 0.53539(3) 0.69586(3) 0.67118(3) 0.02136(15) Uani 1 1 d . . . . .
Cu1 Cu 0.43096(3) 0.69696(2) 0.71419(3) 0.02066(15) Uani 1 1 d . . . . .
P1 P 0.42817(4) 0.54034(5) 0.68558(4) 0.0212(2) Uani 1 1 d . . . . .
P2 P 0.40631(4) 0.85180(5) 0.73189(5) 0.0224(2) Uani 1 1 d . . . . .
P3 P 0.19044(6) 0.70778(7) 0.61953(6) 0.0360(3) Uani 1 1 d . . . . .
F4 F 0.22014(12) 0.71834(16) 0.55794(13) 0.0403(6) Uani 1 1 d . . . . .
F2 F 0.12536(14) 0.70156(16) 0.58421(17) 0.0477(8) Uani 1 1 d . . . . .
F1 F 0.25592(16) 0.7136(2) 0.65375(16) 0.0551(9) Uani 1 1 d . . . . .
F6 F 0.19917(14) 0.62850(16) 0.61351(15) 0.0490(8) Uani 1 1 d . . . . .
N1 N 0.40352(14) 0.65924(17) 0.63170(15) 0.0239(7) Uani 1 1 d . . . . .
F5 F 0.18183(18) 0.78755(19) 0.6239(2) 0.0585(9) Uani 1 1 d . . . . .
F3 F 0.1603(2) 0.6971(2) 0.68082(18) 0.0650(12) Uani 1 1 d . . . . .
N2 N 0.35604(14) 0.73284(17) 0.75137(15) 0.0224(6) Uani 1 1 d . . . . .
C1 C 0.51949(19) 0.79325(19) 0.6647(2) 0.0235(8) Uani 1 1 d . . . . .
C13 C 0.55216(17) 0.59913(19) 0.68185(17) 0.0217(7) Uani 1 1 d . U . . .
C221 C 0.40209(18) 0.9308(2) 0.77310(19) 0.0269(8) Uani 1 1 d . . . . .
C111 C 0.46173(18) 0.4682(2) 0.65040(19) 0.0290(9) Uani 1 1 d . . . . .
C235 C 0.31486(19) 0.6899(2) 0.7694(2) 0.0242(8) Uani 1 1 d . . . . .
H235 H 0.3217 0.6443 0.7653 0.029 Uiso 1 1 calc R . . . .
C131 C 0.39917(18) 0.59237(19) 0.62260(19) 0.0238(8) Uani 1 1 d . . . . .
C2 C 0.53809(18) 0.7822(2) 0.61596(19) 0.0251(8) Uani 1 1 d . . . . .
C231 C 0.3457(2) 0.79892(19) 0.7577(2) 0.0246(9) Uani 1 1 d . . . . .
C116 C 0.4961(2) 0.4781(3) 0.6021(2) 0.0382(10) Uani 1 1 d . . . . .
H116 H 0.4959 0.5197 0.5836 0.046 Uiso 1 1 calc R . . . .
C3 C 0.5644(2) 0.7873(2) 0.5591(2) 0.0257(8) Uani 1 1 d . . . . .
C12 C 0.5290(2) 0.7979(2) 0.5067(2) 0.0282(9) Uani 1 1 d . . . . .
H12 H 0.4874 0.8010 0.5076 0.034 Uiso 1 1 calc R . . . .
C4 C 0.6282(2) 0.7825(2) 0.5582(2) 0.0309(9) Uani 1 1 d . . . . .
H4 H 0.6519 0.7756 0.5935 0.037 Uiso 1 1 calc R . . . .
C212 C 0.3241(2) 0.8549(2) 0.6302(2) 0.0307(9) Uani 1 1 d . . . . .
H212 H 0.2962 0.8360 0.6539 0.037 Uiso 1 1 calc R . . . .
C215 C 0.4064(2) 0.9141(2) 0.5597(2) 0.0384(11) Uani 1 1 d . . . . .
H215 H 0.4336 0.9347 0.5362 0.046 Uiso 1 1 calc R . . . .
C5 C 0.6547(2) 0.7879(2) 0.5056(2) 0.0297(9) Uani 1 1 d . . . . .
H5 H 0.6964 0.7843 0.5054 0.036 Uiso 1 1 calc R . . . .
C211 C 0.38170(19) 0.87174(19) 0.65488(19) 0.0259(8) Uani 1 1 d . . . . .
C14 C 0.57956(19) 0.6099(2) 0.6376(2) 0.0271(8) Uani 1 1 d . U . . .
C6 C 0.6196(2) 0.7990(2) 0.4517(2) 0.0282(10) Uani 1 1 d . . . . .
C234 C 0.2629(2) 0.7103(2) 0.7937(2) 0.0310(9) Uani 1 1 d . . . . .
H234 H 0.2357 0.6790 0.8063 0.037 Uiso 1 1 calc R . . . .
C122 C 0.30294(18) 0.5309(2) 0.6977(2) 0.0288(9) Uani 1 1 d . . . . .
H122 H 0.2977 0.5559 0.6628 0.035 Uiso 1 1 calc R . . . .
C11 C 0.5554(2) 0.8039(2) 0.4521(2) 0.0296(10) Uani 1 1 d . . . . .
C232 C 0.29438(19) 0.8229(2) 0.7810(2) 0.0297(9) Uani 1 1 d . . . . .
H232 H 0.2883 0.8687 0.7846 0.036 Uiso 1 1 calc R . . . .
C112 C 0.4629(3) 0.4056(2) 0.6773(2) 0.0406(12) Uani 1 1 d . . . . .
H112 H 0.4398 0.3976 0.7092 0.049 Uiso 1 1 calc R . . . .
C133 C 0.3518(2) 0.6093(2) 0.5249(2) 0.0334(9) Uani 1 1 d . . . . .
H133 H 0.3338 0.5925 0.4893 0.040 Uiso 1 1 calc R . . . .
C134 C 0.3569(2) 0.6769(3) 0.5334(2) 0.0313(9) Uani 1 1 d . . . . .
H134 H 0.3434 0.7068 0.5036 0.038 Uiso 1 1 calc R . . . .
C226 C 0.39858(19) 0.9292(2) 0.8345(2) 0.0317(9) Uani 1 1 d . . . . .
H226 H 0.3933 0.8887 0.8537 0.038 Uiso 1 1 calc R . . . .
C216 C 0.4229(2) 0.9012(2) 0.6195(2) 0.0307(9) Uani 1 1 d . . . . .
H216 H 0.4614 0.9122 0.6357 0.037 Uiso 1 1 calc R . . . .
C121 C 0.36086(18) 0.5113(2) 0.71964(19) 0.0263(8) Uani 1 1 d . . . . .
C135 C 0.3830(2) 0.6998(2) 0.5880(2) 0.0310(10) Uani 1 1 d . . . . .
H135 H 0.3863 0.7457 0.5941 0.037 Uiso 1 1 calc R . . . .
C15 C 0.6131(2) 0.6060(2) 0.5853(2) 0.0366(10) Uani 1 1 d . U . . .
C132 C 0.37355(19) 0.5657(2) 0.56977(19) 0.0298(9) Uani 1 1 d . . . . .
H132 H 0.3709 0.5196 0.5644 0.036 Uiso 1 1 calc R . . . .
C113 C 0.4988(3) 0.3548(3) 0.6564(3) 0.0554(17) Uani 1 1 d . . . . .
H113 H 0.4999 0.3133 0.6750 0.067 Uiso 1 1 calc R . . . .
C222 C 0.4104(2) 0.9915(2) 0.7451(2) 0.0348(10) Uani 1 1 d . . . . .
H222 H 0.4131 0.9932 0.7041 0.042 Uiso 1 1 calc R . . . .
C214 C 0.3494(3) 0.8962(3) 0.5349(2) 0.0437(12) Uani 1 1 d . . . . .
H214 H 0.3388 0.9041 0.4948 0.052 Uiso 1 1 calc R . . . .
C10 C 0.5206(2) 0.8146(3) 0.3975(2) 0.0379(11) Uani 1 1 d . . . . .
H10 H 0.4788 0.8180 0.3973 0.045 Uiso 1 1 calc R . . . .
C115 C 0.5308(3) 0.4264(3) 0.5810(3) 0.0527(15) Uani 1 1 d . . . . .
H115 H 0.5529 0.4334 0.5481 0.063 Uiso 1 1 calc R . . . .
C225 C 0.4030(2) 0.9881(3) 0.8671(2) 0.0401(11) Uani 1 1 d . . . . .
H225 H 0.4004 0.9867 0.9080 0.048 Uiso 1 1 calc R . . . .
C213 C 0.3085(2) 0.8666(2) 0.5700(2) 0.0370(10) Uani 1 1 d . . . . .
H213 H 0.2705 0.8545 0.5533 0.044 Uiso 1 1 calc R . . . .
C7 C 0.6456(2) 0.8044(2) 0.3961(3) 0.0385(12) Uani 1 1 d . . . . .
H7 H 0.6872 0.8015 0.3951 0.046 Uiso 1 1 calc R . . . .
C224 C 0.4111(2) 1.0483(3) 0.8396(3) 0.0453(13) Uani 1 1 d . . . . .
H224 H 0.4142 1.0876 0.8617 0.054 Uiso 1 1 calc R . . . .
C123 C 0.2535(2) 0.5131(2) 0.7279(2) 0.0355(10) Uani 1 1 d . . . . .
H123 H 0.2152 0.5272 0.7137 0.043 Uiso 1 1 calc R . . . .
C9 C 0.5473(3) 0.8198(4) 0.3457(3) 0.0493(14) Uani 1 1 d . . . . .
H9 H 0.5236 0.8274 0.3105 0.059 Uiso 1 1 calc R . . . .
C126 C 0.3679(2) 0.4735(2) 0.7715(2) 0.0339(10) Uani 1 1 d . . . . .
H126 H 0.4063 0.4614 0.7869 0.041 Uiso 1 1 calc R . . . .
C233 C 0.25178(19) 0.7777(2) 0.7991(2) 0.0322(9) Uani 1 1 d . . . . .
H233 H 0.2166 0.7927 0.8145 0.039 Uiso 1 1 calc R . . . .
C8 C 0.6106(3) 0.8140(3) 0.3441(3) 0.0480(14) Uani 1 1 d . . . . .
H8 H 0.6283 0.8167 0.3080 0.058 Uiso 1 1 calc R . . . .
C17 C 0.7028(2) 0.5814(2) 0.5322(3) 0.0418(11) Uani 1 1 d . U . . .
C21 C 0.7029(3) 0.5980(3) 0.4252(3) 0.0520(13) Uani 1 1 d . U . . .
H21 H 0.6841 0.6125 0.3891 0.062 Uiso 1 1 calc R . . . .
C24 C 0.5820(3) 0.6260(3) 0.5277(2) 0.0408(11) Uani 1 1 d . U . . .
H24 H 0.5421 0.6401 0.5263 0.049 Uiso 1 1 calc R . . . .
C18 C 0.7616(3) 0.5578(3) 0.5355(3) 0.0513(13) Uani 1 1 d . U . . .
H18 H 0.7814 0.5453 0.5716 0.062 Uiso 1 1 calc R . . . .
C22 C 0.6701(2) 0.6025(2) 0.4805(3) 0.0395(11) Uani 1 1 d . U . . .
C20 C 0.7584(3) 0.5737(3) 0.4268(3) 0.0523(14) Uani 1 1 d . U . . .
H20 H 0.7778 0.5693 0.3919 0.063 Uiso 1 1 calc R . . . .
C223 C 0.4146(2) 1.0499(2) 0.7789(3) 0.0449(12) Uani 1 1 d . . . . .
H223 H 0.4199 1.0907 0.7601 0.054 Uiso 1 1 calc R . . . .
C114 C 0.5324(3) 0.3654(3) 0.6087(3) 0.0576(17) Uani 1 1 d . . . . .
H114 H 0.5563 0.3312 0.5953 0.069 Uiso 1 1 calc R . . . .
C23 C 0.6110(2) 0.6241(3) 0.4769(2) 0.0414(11) Uani 1 1 d . U . . .
H23 H 0.5916 0.6370 0.4406 0.050 Uiso 1 1 calc R . . . .
C125 C 0.3180(2) 0.4537(3) 0.8004(2) 0.0443(12) Uani 1 1 d . . . . .
H125 H 0.3229 0.4266 0.8340 0.053 Uiso 1 1 calc R . . . .
C124 C 0.2603(2) 0.4748(3) 0.7789(2) 0.0424(12) Uani 1 1 d . . . . .
H124 H 0.2267 0.4631 0.7988 0.051 Uiso 1 1 calc R . . . .
C16 C 0.6705(3) 0.5860(3) 0.5868(3) 0.0424(11) Uani 1 1 d . U . . .
H16 H 0.6905 0.5746 0.6231 0.051 Uiso 1 1 calc R . . . .
C19 C 0.7892(3) 0.5537(3) 0.4837(3) 0.0569(14) Uani 1 1 d . U . . .
H19 H 0.8286 0.5379 0.4845 0.068 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 Cu2 2.8845(6) . ?
Pt1 Cu2 2.8846(6) 2_656 ?
Pt1 Cu1 2.6916(6) 2_656 ?
Pt1 Cu1 2.6916(6) . ?
Pt1 P1 2.3147(9) 2_656 ?
Pt1 P1 2.3146(9) . ?
Pt1 C13 1.999(4) 2_656 ?
Pt1 C13 1.999(4) . ?
Pt2 Cu2 2.9150(6) . ?
Pt2 Cu2 2.9150(6) 2_656 ?
Pt2 Cu1 2.6901(6) . ?
Pt2 Cu1 2.6901(6) 2_656 ?
Pt2 P2 2.3162(9) . ?
Pt2 P2 2.3162(9) 2_656 ?
Pt2 C1 2.010(5) . ?
Pt2 C1 2.010(5) 2_656 ?
Cu2 Cu1 2.5842(9) . ?
Cu2 Cu1 2.6329(9) 2_656 ?
Cu2 C1 1.982(4) . ?
Cu2 C13 1.981(4) . ?
Cu2 C2 2.131(4) . ?
Cu2 C14 2.145(4) . ?
Cu1 Cu2 2.6328(9) 2_656 ?
Cu1 N1 2.054(3) . ?
Cu1 N2 2.051(3) . ?
P1 C111 1.832(5) . ?
P1 C131 1.836(4) . ?
P1 C121 1.828(4) . ?
P2 C221 1.839(4) . ?
P2 C231 1.841(5) . ?
P2 C211 1.823(4) . ?
P3 F4 1.596(3) . ?
P3 F2 1.602(3) . ?
P3 F1 1.599(3) . ?
P3 F6 1.604(4) . ?
P3 F5 1.610(4) . ?
P3 F3 1.595(4) . ?
N1 C131 1.355(5) . ?
N1 C135 1.328(6) . ?
N2 C235 1.340(5) . ?
N2 C231 1.350(5) . ?
C1 C2 1.223(6) . ?
C13 C14 1.226(6) . ?
C221 C226 1.391(6) . ?
C221 C222 1.386(6) . ?
C111 C116 1.391(7) . ?
C111 C112 1.390(7) . ?
C235 H235 0.9300 . ?
C235 C234 1.378(6) . ?
C131 C132 1.386(6) . ?
C2 C3 1.453(6) . ?
C231 C232 1.379(6) . ?
C116 H116 0.9300 . ?
C116 C115 1.395(7) . ?
C3 C12 1.384(7) . ?
C3 C4 1.422(6) . ?
C12 H12 0.9300 . ?
C12 C11 1.409(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.369(7) . ?
C212 H212 0.9300 . ?
C212 C211 1.399(6) . ?
C212 C213 1.393(6) . ?
C215 H215 0.9300 . ?
C215 C216 1.393(7) . ?
C215 C214 1.392(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.410(7) . ?
C211 C216 1.391(6) . ?
C14 C15 1.444(6) . ?
C6 C11 1.430(7) . ?
C6 C7 1.423(7) . ?
C234 H234 0.9300 . ?
C234 C233 1.377(7) . ?
C122 H122 0.9300 . ?
C122 C121 1.400(6) . ?
C122 C123 1.384(6) . ?
C11 C10 1.420(7) . ?
C232 H232 0.9300 . ?
C232 C233 1.393(6) . ?
C112 H112 0.9300 . ?
C112 C113 1.395(8) . ?
C133 H133 0.9300 . ?
C133 C134 1.369(7) . ?
C133 C132 1.394(6) . ?
C134 H134 0.9300 . ?
C134 C135 1.398(7) . ?
C226 H226 0.9300 . ?
C226 C225 1.386(7) . ?
C216 H216 0.9300 . ?
C121 C126 1.390(6) . ?
C135 H135 0.9300 . ?
C15 C24 1.477(8) . ?
C15 C16 1.336(8) . ?
C132 H132 0.9300 . ?
C113 H113 0.9300 . ?
C113 C114 1.371(10) . ?
C222 H222 0.9300 . ?
C222 C223 1.393(7) . ?
C214 H214 0.9300 . ?
C214 C213 1.382(8) . ?
C10 H10 0.9300 . ?
C10 C9 1.352(8) . ?
C115 H115 0.9300 . ?
C115 C114 1.370(10) . ?
C225 H225 0.9300 . ?
C225 C224 1.372(8) . ?
C213 H213 0.9300 . ?
C7 H7 0.9300 . ?
C7 C8 1.369(8) . ?
C224 H224 0.9300 . ?
C224 C223 1.376(9) . ?
C123 H123 0.9300 . ?
C123 C124 1.378(7) . ?
C9 H9 0.9300 . ?
C9 C8 1.417(8) . ?
C126 H126 0.9300 . ?
C126 C125 1.386(7) . ?
C233 H233 0.9300 . ?
C8 H8 0.9300 . ?
C17 C18 1.388(8) . ?
C17 C22 1.389(7) . ?
C17 C16 1.474(8) . ?
C21 H21 0.9300 . ?
C21 C22 1.495(8) . ?
C21 C20 1.326(9) . ?
C24 H24 0.9300 . ?
C24 C23 1.357(8) . ?
C18 H18 0.9300 . ?
C18 C19 1.362(9) . ?
C22 C23 1.380(8) . ?
C20 H20 0.9300 . ?
C20 C19 1.460(10) . ?
C223 H223 0.9300 . ?
C114 H114 0.9300 . ?
C23 H23 0.9300 . ?
C125 H125 0.9300 . ?
C125 C124 1.404(8) . ?
C124 H124 0.9300 . ?
C16 H16 0.9300 . ?
C19 H19 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cu2 Pt1 Cu2 87.60(2) . 2_656 ?
Cu1 Pt1 Cu2 56.220(19) . 2_656 ?
Cu1 Pt1 Cu2 55.087(18) . . ?
Cu1 Pt1 Cu2 55.087(18) 2_656 2_656 ?
Cu1 Pt1 Cu2 56.222(19) 2_656 . ?
Cu1 Pt1 Cu1 77.18(3) . 2_656 ?
P1 Pt1 Cu2 119.89(3) . 2_656 ?
P1 Pt1 Cu2 119.89(3) 2_656 . ?
P1 Pt1 Cu2 98.17(3) . . ?
P1 Pt1 Cu2 98.17(3) 2_656 2_656 ?
P1 Pt1 Cu1 78.96(3) 2_656 2_656 ?
P1 Pt1 Cu1 152.27(3) 2_656 . ?
P1 Pt1 Cu1 78.96(3) . . ?
P1 Pt1 Cu1 152.27(3) . 2_656 ?
P1 Pt1 P1 127.32(5) . 2_656 ?
C13 Pt1 Cu2 128.38(11) 2_656 . ?
C13 Pt1 Cu2 128.38(11) . 2_656 ?
C13 Pt1 Cu2 43.29(11) 2_656 2_656 ?
C13 Pt1 Cu2 43.29(11) . . ?
C13 Pt1 Cu1 79.68(11) . 2_656 ?
C13 Pt1 Cu1 93.62(11) 2_656 2_656 ?
C13 Pt1 Cu1 79.68(11) 2_656 . ?
C13 Pt1 Cu1 93.62(11) . . ?
C13 Pt1 P1 87.98(11) 2_656 2_656 ?
C13 Pt1 P1 87.98(12) . . ?
C13 Pt1 P1 95.80(11) . 2_656 ?
C13 Pt1 P1 95.80(11) 2_656 . ?
C13 Pt1 C13 171.5(2) . 2_656 ?
Cu2 Pt2 Cu2 86.46(2) 2_656 . ?
Cu1 Pt2 Cu2 54.732(18) 2_656 2_656 ?
Cu1 Pt2 Cu2 55.858(19) . 2_656 ?
Cu1 Pt2 Cu2 54.731(18) . . ?
Cu1 Pt2 Cu2 55.860(19) 2_656 . ?
Cu1 Pt2 Cu1 77.23(2) 2_656 . ?
P2 Pt2 Cu2 97.97(3) 2_656 . ?
P2 Pt2 Cu2 97.96(3) . 2_656 ?
P2 Pt2 Cu2 119.11(3) 2_656 2_656 ?
P2 Pt2 Cu2 119.11(3) . . ?
P2 Pt2 Cu1 150.81(3) . 2_656 ?
P2 Pt2 Cu1 150.82(3) 2_656 . ?
P2 Pt2 Cu1 78.30(3) 2_656 2_656 ?
P2 Pt2 Cu1 78.30(3) . . ?
P2 Pt2 P2 129.21(5) 2_656 . ?
C1 Pt2 Cu2 127.32(11) 2_656 . ?
C1 Pt2 Cu2 42.73(11) 2_656 2_656 ?
C1 Pt2 Cu2 127.32(11) . 2_656 ?
C1 Pt2 Cu2 42.73(11) . . ?
C1 Pt2 Cu1 93.32(11) . 2_656 ?
C1 Pt2 Cu1 78.72(12) 2_656 2_656 ?
C1 Pt2 Cu1 93.32(11) 2_656 . ?
C1 Pt2 Cu1 78.72(12) . . ?
C1 Pt2 P2 87.09(12) 2_656 . ?
C1 Pt2 P2 97.26(12) . . ?
C1 Pt2 P2 87.09(12) . 2_656 ?
C1 Pt2 P2 97.26(12) 2_656 2_656 ?
C1 Pt2 C1 169.9(2) . 2_656 ?
Pt1 Cu2 Pt2 92.972(19) . . ?
Cu1 Cu2 Pt1 58.184(17) 2_656 . ?
Cu1 Cu2 Pt1 58.661(17) . . ?
Cu1 Cu2 Pt2 58.203(17) . . ?
Cu1 Cu2 Pt2 57.743(17) 2_656 . ?
Cu1 Cu2 Cu1 80.11(3) . 2_656 ?
C1 Cu2 Pt1 134.33(14) . . ?
C1 Cu2 Pt2 43.47(14) . . ?
C1 Cu2 Cu1 81.89(13) . . ?
C1 Cu2 Cu1 95.73(14) . 2_656 ?
C1 Cu2 C2 34.34(18) . . ?
C1 Cu2 C14 147.63(18) . . ?
C13 Cu2 Pt1 43.81(11) . . ?
C13 Cu2 Pt2 134.00(12) . . ?
C13 Cu2 Cu1 81.51(12) . 2_656 ?
C13 Cu2 Cu1 97.42(12) . . ?
C13 Cu2 C1 177.23(18) . . ?
C13 Cu2 C2 148.01(16) . . ?
C13 Cu2 C14 34.29(17) . . ?
C2 Cu2 Pt1 164.82(11) . . ?
C2 Cu2 Pt2 77.67(11) . . ?
C2 Cu2 Cu1 123.17(12) . 2_656 ?
C2 Cu2 Cu1 106.16(11) . . ?
C2 Cu2 C14 114.13(16) . . ?
C14 Cu2 Pt1 78.04(12) . . ?
C14 Cu2 Pt2 161.90(12) . . ?
C14 Cu2 Cu1 104.41(12) . 2_656 ?
C14 Cu2 Cu1 126.01(12) . . ?
Pt2 Cu1 Pt1 102.80(2) . . ?
Cu2 Cu1 Pt1 65.596(18) 2_656 . ?
Cu2 Cu1 Pt1 66.251(18) . . ?
Cu2 Cu1 Pt2 66.398(18) 2_656 . ?
Cu2 Cu1 Pt2 67.066(19) . . ?
Cu2 Cu1 Cu2 99.88(3) . 2_656 ?
N1 Cu1 Pt1 96.16(10) . . ?
N1 Cu1 Pt2 132.94(10) . . ?
N1 Cu1 Cu2 82.59(9) . . ?
N1 Cu1 Cu2 157.90(10) . 2_656 ?
N2 Cu1 Pt1 127.86(10) . . ?
N2 Cu1 Pt2 93.85(9) . . ?
N2 Cu1 Cu2 159.67(10) . . ?
N2 Cu1 Cu2 77.37(9) . 2_656 ?
N2 Cu1 N1 107.66(13) . . ?
C111 P1 Pt1 109.63(13) . . ?
C111 P1 C131 104.03(19) . . ?
C131 P1 Pt1 114.70(13) . . ?
C121 P1 Pt1 115.20(14) . . ?
C121 P1 C111 107.8(2) . . ?
C121 P1 C131 104.69(18) . . ?
C221 P2 Pt2 111.08(13) . . ?
C221 P2 C231 105.50(19) . . ?
C231 P2 Pt2 111.62(13) . . ?
C211 P2 Pt2 117.51(14) . . ?
C211 P2 C221 105.62(19) . . ?
C211 P2 C231 104.6(2) . . ?
F4 P3 F2 89.82(18) . . ?
F4 P3 F1 89.25(18) . . ?
F4 P3 F6 89.79(19) . . ?
F4 P3 F5 88.9(2) . . ?
F2 P3 F6 89.54(17) . . ?
F2 P3 F5 90.0(2) . . ?
F1 P3 F2 179.0(2) . . ?
F1 P3 F6 90.1(2) . . ?
F1 P3 F5 90.3(2) . . ?
F6 P3 F5 178.7(2) . . ?
F3 P3 F4 179.6(2) . . ?
F3 P3 F2 89.8(2) . . ?
F3 P3 F1 91.2(2) . . ?
F3 P3 F6 90.1(2) . . ?
F3 P3 F5 91.1(2) . . ?
C131 N1 Cu1 120.8(3) . . ?
C135 N1 Cu1 120.5(3) . . ?
C135 N1 C131 118.3(4) . . ?
C235 N2 Cu1 119.7(3) . . ?
C235 N2 C231 117.9(4) . . ?
C231 N2 Cu1 122.4(3) . . ?
Cu2 C1 Pt2 93.80(18) . . ?
C2 C1 Pt2 170.7(4) . . ?
C2 C1 Cu2 79.5(3) . . ?
Cu2 C13 Pt1 92.90(16) . . ?
C14 C13 Pt1 172.2(3) . . ?
C14 C13 Cu2 80.2(3) . . ?
C226 C221 P2 119.4(3) . . ?
C222 C221 P2 120.6(3) . . ?
C222 C221 C226 119.5(4) . . ?
C116 C111 P1 119.6(4) . . ?
C112 C111 P1 121.0(4) . . ?
C112 C111 C116 118.4(5) . . ?
N2 C235 H235 118.5 . . ?
N2 C235 C234 123.0(4) . . ?
C234 C235 H235 118.5 . . ?
N1 C131 P1 115.2(3) . . ?
N1 C131 C132 122.0(4) . . ?
C132 C131 P1 122.8(3) . . ?
C1 C2 Cu2 66.2(3) . . ?
C1 C2 C3 165.1(4) . . ?
C3 C2 Cu2 127.1(3) . . ?
N2 C231 P2 113.2(3) . . ?
N2 C231 C232 122.2(4) . . ?
C232 C231 P2 124.6(3) . . ?
C111 C116 H116 119.5 . . ?
C111 C116 C115 120.9(5) . . ?
C115 C116 H116 119.5 . . ?
C12 C3 C2 121.4(4) . . ?
C12 C3 C4 120.1(4) . . ?
C4 C3 C2 118.5(4) . . ?
C3 C12 H12 119.7 . . ?
C3 C12 C11 120.6(4) . . ?
C11 C12 H12 119.7 . . ?
C3 C4 H4 119.9 . . ?
C5 C4 C3 120.2(4) . . ?
C5 C4 H4 119.9 . . ?
C211 C212 H212 120.0 . . ?
C213 C212 H212 120.0 . . ?
C213 C212 C211 119.9(4) . . ?
C216 C215 H215 119.8 . . ?
C214 C215 H215 119.8 . . ?
C214 C215 C216 120.3(5) . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.7(4) . . ?
C6 C5 H5 119.7 . . ?
C212 C211 P2 121.7(3) . . ?
C216 C211 P2 118.3(3) . . ?
C216 C211 C212 119.8(4) . . ?
C13 C14 Cu2 65.5(3) . . ?
C13 C14 C15 166.8(4) . . ?
C15 C14 Cu2 127.6(3) . . ?
C5 C6 C11 119.6(4) . . ?
C5 C6 C7 122.2(4) . . ?
C7 C6 C11 118.2(5) . . ?
C235 C234 H234 120.4 . . ?
C233 C234 C235 119.1(4) . . ?
C233 C234 H234 120.4 . . ?
C121 C122 H122 120.1 . . ?
C123 C122 H122 120.1 . . ?
C123 C122 C121 119.9(4) . . ?
C12 C11 C6 118.8(5) . . ?
C12 C11 C10 122.2(5) . . ?
C10 C11 C6 118.9(5) . . ?
C231 C232 H232 120.4 . . ?
C231 C232 C233 119.2(4) . . ?
C233 C232 H232 120.4 . . ?
C111 C112 H112 120.0 . . ?
C111 C112 C113 120.0(6) . . ?
C113 C112 H112 120.0 . . ?
C134 C133 H133 120.1 . . ?
C134 C133 C132 119.7(4) . . ?
C132 C133 H133 120.1 . . ?
C133 C134 H134 120.9 . . ?
C133 C134 C135 118.1(4) . . ?
C135 C134 H134 120.9 . . ?
C221 C226 H226 120.0 . . ?
C225 C226 C221 120.0(5) . . ?
C225 C226 H226 120.0 . . ?
C215 C216 H216 120.1 . . ?
C211 C216 C215 119.7(4) . . ?
C211 C216 H216 120.1 . . ?
C122 C121 P1 121.6(3) . . ?
C126 C121 P1 118.8(3) . . ?
C126 C121 C122 119.4(4) . . ?
N1 C135 C134 123.3(4) . . ?
N1 C135 H135 118.4 . . ?
C134 C135 H135 118.4 . . ?
C14 C15 C24 117.8(5) . . ?
C16 C15 C14 123.2(5) . . ?
C16 C15 C24 119.0(5) . . ?
C131 C132 C133 118.6(4) . . ?
C131 C132 H132 120.7 . . ?
C133 C132 H132 120.7 . . ?
C112 C113 H113 119.6 . . ?
C114 C113 C112 120.8(6) . . ?
C114 C113 H113 119.6 . . ?
C221 C222 H222 120.3 . . ?
C221 C222 C223 119.4(5) . . ?
C223 C222 H222 120.3 . . ?
C215 C214 H214 120.0 . . ?
C213 C214 C215 120.0(5) . . ?
C213 C214 H214 120.0 . . ?
C11 C10 H10 119.6 . . ?
C9 C10 C11 120.8(5) . . ?
C9 C10 H10 119.6 . . ?
C116 C115 H115 120.0 . . ?
C114 C115 C116 119.9(6) . . ?
C114 C115 H115 120.0 . . ?
C226 C225 H225 119.6 . . ?
C224 C225 C226 120.8(5) . . ?
C224 C225 H225 119.6 . . ?
C212 C213 H213 119.9 . . ?
C214 C213 C212 120.2(5) . . ?
C214 C213 H213 119.9 . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.4(5) . . ?
C8 C7 H7 119.3 . . ?
C225 C224 H224 120.4 . . ?
C225 C224 C223 119.2(5) . . ?
C223 C224 H224 120.4 . . ?
C122 C123 H123 119.6 . . ?
C124 C123 C122 120.9(4) . . ?
C124 C123 H123 119.6 . . ?
C10 C9 H9 119.4 . . ?
C10 C9 C8 121.3(5) . . ?
C8 C9 H9 119.4 . . ?
C121 C126 H126 119.7 . . ?
C125 C126 C121 120.6(4) . . ?
C125 C126 H126 119.7 . . ?
C234 C233 C232 118.6(4) . . ?
C234 C233 H233 120.7 . . ?
C232 C233 H233 120.7 . . ?
C7 C8 C9 119.3(5) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 H8 120.3 . . ?
C18 C17 C22 125.3(6) . . ?
C18 C17 C16 119.6(5) . . ?
C22 C17 C16 115.0(5) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C20 C21 C22 120.7(6) . . ?
C15 C24 H24 119.6 . . ?
C23 C24 C15 120.8(5) . . ?
C23 C24 H24 119.6 . . ?
C17 C18 H18 121.3 . . ?
C19 C18 C17 117.4(6) . . ?
C19 C18 H18 121.3 . . ?
C17 C22 C21 115.1(5) . . ?
C23 C22 C17 125.4(6) . . ?
C23 C22 C21 119.5(5) . . ?
C21 C20 H20 120.0 . . ?
C21 C20 C19 119.9(6) . . ?
C19 C20 H20 120.0 . . ?
C222 C223 H223 119.5 . . ?
C224 C223 C222 121.1(5) . . ?
C224 C223 H223 119.5 . . ?
C113 C114 H114 120.1 . . ?
C115 C114 C113 119.9(5) . . ?
C115 C114 H114 120.1 . . ?
C24 C23 C22 118.1(5) . . ?
C24 C23 H23 121.0 . . ?
C22 C23 H23 121.0 . . ?
C126 C125 H125 120.2 . . ?
C126 C125 C124 119.7(5) . . ?
C124 C125 H125 120.2 . . ?
C123 C124 C125 119.6(5) . . ?
C123 C124 H124 120.2 . . ?
C125 C124 H124 120.2 . . ?
C15 C16 C17 121.6(5) . . ?
C15 C16 H16 119.2 . . ?
C17 C16 H16 119.2 . . ?
C18 C19 C20 121.5(6) . . ?
C18 C19 H19 119.2 . . ?
C20 C19 H19 119.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 P1 C111 C116 -80.7(4) . . . . ?
Pt1 P1 C111 C112 87.4(4) . . . . ?
Pt1 P1 C131 N1 -24.5(3) . . . . ?
Pt1 P1 C131 C132 156.7(3) . . . . ?
Pt1 P1 C121 C122 125.4(3) . . . . ?
Pt1 P1 C121 C126 -49.1(4) . . . . ?
Pt2 P2 C221 C226 -72.6(3) . . . . ?
Pt2 P2 C221 C222 98.8(3) . . . . ?
Pt2 P2 C231 N2 -34.5(4) . . . . ?
Pt2 P2 C231 C232 145.8(4) . . . . ?
Pt2 P2 C211 C212 132.4(3) . . . . ?
Pt2 P2 C211 C216 -44.1(4) . . . . ?
Cu2 C1 C2 C3 -154.5(17) . . . . ?
Cu2 C13 C14 C15 -171(2) . . . . ?
Cu2 C2 C3 C12 113.1(4) . . . . ?
Cu2 C2 C3 C4 -68.1(5) . . . . ?
Cu2 C14 C15 C24 -56.5(6) . . . . ?
Cu2 C14 C15 C16 122.9(5) . . . . ?
Cu1 N1 C131 P1 -7.3(4) . . . . ?
Cu1 N1 C131 C132 171.6(3) . . . . ?
Cu1 N1 C135 C134 -171.9(4) . . . . ?
Cu1 N2 C235 C234 -178.7(4) . . . . ?
Cu1 N2 C231 P2 -1.8(4) . . . . ?
Cu1 N2 C231 C232 178.0(3) . . . . ?
P1 C111 C116 C115 168.6(4) . . . . ?
P1 C111 C112 C113 -167.2(4) . . . . ?
P1 C131 C132 C133 178.8(3) . . . . ?
P1 C121 C126 C125 176.4(4) . . . . ?
P2 C221 C226 C225 171.9(4) . . . . ?
P2 C221 C222 C223 -171.9(4) . . . . ?
P2 C231 C232 C233 -179.9(4) . . . . ?
P2 C211 C216 C215 176.9(4) . . . . ?
N1 C131 C132 C133 0.1(6) . . . . ?
N2 C235 C234 C233 1.0(7) . . . . ?
N2 C231 C232 C233 0.4(7) . . . . ?
C1 C2 C3 C12 -96.4(17) . . . . ?
C1 C2 C3 C4 82.4(17) . . . . ?
C13 C14 C15 C24 113(2) . . . . ?
C13 C14 C15 C16 -68(2) . . . . ?
C221 P2 C231 N2 -155.2(3) . . . . ?
C221 P2 C231 C232 25.0(5) . . . . ?
C221 P2 C211 C212 -103.1(4) . . . . ?
C221 P2 C211 C216 80.4(4) . . . . ?
C221 C226 C225 C224 -0.3(7) . . . . ?
C221 C222 C223 C224 0.4(7) . . . . ?
C111 P1 C131 N1 -144.2(3) . . . . ?
C111 P1 C131 C132 36.9(4) . . . . ?
C111 P1 C121 C122 -111.9(4) . . . . ?
C111 P1 C121 C126 73.6(4) . . . . ?
C111 C116 C115 C114 -1.4(8) . . . . ?
C111 C112 C113 C114 -1.0(8) . . . . ?
C235 N2 C231 P2 179.3(3) . . . . ?
C235 N2 C231 C232 -0.9(6) . . . . ?
C235 C234 C233 C232 -1.5(7) . . . . ?
C131 P1 C111 C116 42.4(4) . . . . ?
C131 P1 C111 C112 -149.4(4) . . . . ?
C131 P1 C121 C122 -1.5(4) . . . . ?
C131 P1 C121 C126 -176.1(4) . . . . ?
C131 N1 C135 C134 0.4(7) . . . . ?
C2 C3 C12 C11 178.8(4) . . . . ?
C2 C3 C4 C5 -179.2(4) . . . . ?
C231 P2 C221 C226 48.5(4) . . . . ?
C231 P2 C221 C222 -140.1(4) . . . . ?
C231 P2 C211 C212 8.0(4) . . . . ?
C231 P2 C211 C216 -168.5(3) . . . . ?
C231 N2 C235 C234 0.2(6) . . . . ?
C231 C232 C233 C234 0.8(7) . . . . ?
C116 C111 C112 C113 1.1(7) . . . . ?
C116 C115 C114 C113 1.5(9) . . . . ?
C3 C12 C11 C6 0.0(6) . . . . ?
C3 C12 C11 C10 179.8(4) . . . . ?
C3 C4 C5 C6 0.6(7) . . . . ?
C12 C3 C4 C5 -0.4(7) . . . . ?
C12 C11 C10 C9 -179.6(5) . . . . ?
C4 C3 C12 C11 0.1(6) . . . . ?
C4 C5 C6 C11 -0.6(7) . . . . ?
C4 C5 C6 C7 -179.6(5) . . . . ?
C212 C211 C216 C215 0.3(6) . . . . ?
C215 C214 C213 C212 0.3(8) . . . . ?
C5 C6 C11 C12 0.3(6) . . . . ?
C5 C6 C11 C10 -179.6(4) . . . . ?
C5 C6 C7 C8 178.9(5) . . . . ?
C211 P2 C221 C226 159.0(3) . . . . ?
C211 P2 C221 C222 -29.6(4) . . . . ?
C211 P2 C231 N2 93.6(3) . . . . ?
C211 P2 C231 C232 -86.2(4) . . . . ?
C211 C212 C213 C214 -1.5(7) . . . . ?
C14 C15 C24 C23 179.5(4) . . . . ?
C14 C15 C16 C17 178.7(4) . . . . ?
C6 C11 C10 C9 0.2(8) . . . . ?
C6 C7 C8 C9 1.2(9) . . . . ?
C122 C121 C126 C125 1.8(7) . . . . ?
C122 C123 C124 C125 0.1(8) . . . . ?
C11 C6 C7 C8 -0.2(7) . . . . ?
C11 C10 C9 C8 0.8(10) . . . . ?
C112 C111 C116 C115 0.1(7) . . . . ?
C112 C113 C114 C115 -0.3(9) . . . . ?
C133 C134 C135 N1 0.6(8) . . . . ?
C134 C133 C132 C131 1.0(7) . . . . ?
C226 C221 C222 C223 -0.5(6) . . . . ?
C226 C225 C224 C223 0.3(8) . . . . ?
C216 C215 C214 C213 1.2(8) . . . . ?
C121 P1 C111 C116 153.2(3) . . . . ?
C121 P1 C111 C112 -38.7(4) . . . . ?
C121 P1 C131 N1 102.7(3) . . . . ?
C121 P1 C131 C132 -76.1(4) . . . . ?
C121 C122 C123 C124 -1.5(7) . . . . ?
C121 C126 C125 C124 -3.2(8) . . . . ?
C135 N1 C131 P1 -179.6(3) . . . . ?
C135 N1 C131 C132 -0.8(6) . . . . ?
C15 C24 C23 C22 0.5(7) . . . . ?
C132 C133 C134 C135 -1.3(7) . . . . ?
C222 C221 C226 C225 0.4(6) . . . . ?
C214 C215 C216 C211 -1.5(7) . . . . ?
C10 C9 C8 C7 -1.5(11) . . . . ?
C225 C224 C223 C222 -0.3(8) . . . . ?
C213 C212 C211 P2 -175.3(3) . . . . ?
C213 C212 C211 C216 1.2(6) . . . . ?
C7 C6 C11 C12 179.3(4) . . . . ?
C7 C6 C11 C10 -0.5(6) . . . . ?
C123 C122 C121 P1 -173.9(3) . . . . ?
C123 C122 C121 C126 0.6(6) . . . . ?
C126 C125 C124 C123 2.2(8) . . . . ?
C17 C18 C19 C20 0.4(9) . . . . ?
C17 C22 C23 C24 0.9(8) . . . . ?
C21 C22 C23 C24 178.4(5) . . . . ?
C21 C20 C19 C18 1.8(9) . . . . ?
C24 C15 C16 C17 -1.9(7) . . . . ?
C18 C17 C22 C21 0.5(8) . . . . ?
C18 C17 C22 C23 178.0(5) . . . . ?
C18 C17 C16 C15 -177.5(5) . . . . ?
C22 C17 C18 C19 -1.5(9) . . . . ?
C22 C17 C16 C15 3.1(7) . . . . ?
C22 C21 C20 C19 -2.8(8) . . . . ?
C20 C21 C22 C17 1.8(7) . . . . ?
C20 C21 C22 C23 -176.0(5) . . . . ?
C16 C15 C24 C23 0.1(7) . . . . ?
C16 C17 C18 C19 179.2(5) . . . . ?
C16 C17 C22 C21 179.8(4) . . . . ?
C16 C17 C22 C23 -2.6(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.744
_oxdiff_exptl_absorpt_empirical_full_min 0.681
####################################################################### 
# 
# 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_ysf25c5
_database_code_depnum_ccdc_archive 'CCDC 2330687'
loop_
_audit_author_name
_audit_author_address
'Shang-Fu Yuan'
;Jinan University
China
;
_audit_update_record             
;
2024-02-03 deposited with the CCDC.	2024-04-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C105 H74 Cl2 Cu4 F24 N4 P6 Pt2'
_chemical_formula_weight         2748.74

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   30.1604(8)
_cell_length_b                   14.9159(3)
_cell_length_c                   25.3705(8)
_cell_angle_alpha                90
_cell_angle_beta                 110.963(3)
_cell_angle_gamma                90
_cell_volume                     10658.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    173.00(10)
_cell_measurement_reflns_used    6531
_cell_measurement_theta_min      4.0640
_cell_measurement_theta_max      64.9880

_exptl_crystal_description       block
_exptl_crystal_colour            brown-red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_F_000             5376
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    7.753
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.87961
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173.00(10)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            35641
_diffrn_reflns_av_unetI/netI     0.0904
_diffrn_reflns_av_R_equivalents  0.0646
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.502
_diffrn_reflns_theta_max         65.037
_diffrn_reflns_theta_full        65.037
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measured_fraction_theta_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_point_group_measured_fraction_full 0.968
_reflns_number_total             17574
_reflns_number_gt                12407
_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       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0624P)²+44.0100P] 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         17574
_refine_ls_number_parameters     1405
_refine_ls_number_restraints     244
_refine_ls_R_factor_all          0.0948
_refine_ls_R_factor_gt           0.0596
_refine_ls_wR_factor_ref         0.1548
_refine_ls_wR_factor_gt          0.1366
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.71829(2) 0.51341(3) 0.17011(2) 0.02335(11) Uani 1 1 d . . . . .
Pt2 Pt 0.76508(2) 0.30618(3) 0.29064(2) 0.02203(11) Uani 1 1 d . . . . .
Cu1 Cu 0.67876(5) 0.40679(10) 0.23525(6) 0.0270(3) Uani 1 1 d . . . . .
Cu2 Cu 0.75988(4) 0.49128(9) 0.28429(6) 0.0255(3) Uani 1 1 d . . . . .
Cu3 Cu 0.80486(5) 0.41506(9) 0.22431(6) 0.0256(3) Uani 1 1 d . . . . .
Cu4 Cu 0.72403(5) 0.33139(9) 0.17486(6) 0.0244(3) Uani 1 1 d . . . . .
P1 P 0.71287(9) 0.65436(17) 0.20643(12) 0.0294(6) Uani 1 1 d . . . . .
P2 P 0.81320(8) 0.35520(17) 0.37988(10) 0.0255(5) Uani 1 1 d . . . . .
P3 P 0.73885(8) 0.16388(16) 0.25531(10) 0.0238(5) Uani 1 1 d . . . . .
P4 P 0.70333(9) 0.47273(17) 0.07676(10) 0.0264(5) Uani 1 1 d . . . . .
F1 F 0.3968(6) 0.4303(16) 0.1497(10) 0.091(2) Uani 0.5 1 d . U P A 1
F1A F 0.3941(5) 0.4854(16) 0.1169(9) 0.091(2) Uani 0.5 1 d . U P A -1
F2 F 0.4221(6) 0.5106(16) 0.2240(9) 0.091(2) Uani 0.5 1 d . U P A 1
F2A F 0.4141(6) 0.5409(17) 0.1986(10) 0.091(2) Uani 0.5 1 d . U P A -1
F3 F 0.4062(5) 0.5709(15) 0.1477(9) 0.092(2) Uani 0.5 1 d . U P A 1
F3A F 0.4116(5) 0.4009(15) 0.1907(9) 0.091(2) Uani 0.5 1 d . U P A -1
F4 F 0.4757(5) 0.2529(9) 0.3526(7) 0.092(2) Uani 0.5 1 d D U P B 1
F4A F 0.4587(6) 0.4081(8) 0.3126(7) 0.092(2) Uani 0.5 1 d D U P B -1
F5 F 0.4650(6) 0.3997(8) 0.3399(7) 0.092(2) Uani 0.5 1 d D U P B 1
F5A F 0.4884(5) 0.3124(12) 0.3801(5) 0.092(2) Uani 0.5 1 d D U P B -1
F6 F 0.4458(5) 0.3078(12) 0.2683(5) 0.092(2) Uani 0.5 1 d D U P B 1
F6A F 0.4494(5) 0.2633(10) 0.2941(7) 0.092(2) Uani 0.5 1 d D U P B -1
F7 F 1.0007(4) 0.6767(8) 0.1240(7) 0.141(5) Uani 1 1 d . . . . .
F8 F 1.0039(3) 0.5418(8) 0.0976(5) 0.106(4) Uani 1 1 d . . . . .
F9 F 1.0379(3) 0.5777(10) 0.1821(5) 0.130(5) Uani 1 1 d . . . . .
F10 F 1.0138(4) 0.3405(9) 0.1464(6) 0.131(3) Uani 1 1 d . U . . .
F11 F 1.0481(4) 0.2490(8) 0.2064(6) 0.126(3) Uani 1 1 d . U . . .
F12 F 1.0534(4) 0.3870(9) 0.2217(6) 0.131(3) Uani 1 1 d . U . . .
N1 N 0.7127(3) 0.5766(5) 0.3015(3) 0.0284(19) Uani 1 1 d . . . . .
N2 N 0.8303(3) 0.5072(5) 0.3342(3) 0.0269(18) Uani 1 1 d . . . . .
N3 N 0.6716(3) 0.2376(6) 0.1653(3) 0.0319(19) Uani 1 1 d . . . . .
N4 N 0.7534(3) 0.3207(5) 0.1118(3) 0.0271(18) Uani 1 1 d . . . . .
C11 C 0.6529(3) 0.4909(7) 0.1708(4) 0.030(2) Uani 1 1 d . . . . .
C12 C 0.6162(3) 0.4765(7) 0.1791(4) 0.027(2) Uani 1 1 d . . . . .
C13 C 0.5675(3) 0.4749(7) 0.1783(4) 0.033(2) Uani 1 1 d . . . . .
C14 C 0.5323(4) 0.4264(10) 0.1393(7) 0.064(4) Uani 1 1 d . . . . .
H14 H 0.5396 0.3911 0.1132 0.077 Uiso 1 1 calc R U . . .
C15 C 0.4865(4) 0.4290(10) 0.1381(7) 0.066(4) Uani 1 1 d . . . . .
H15 H 0.4630 0.3963 0.1110 0.079 Uiso 1 1 calc R U . . .
C16 C 0.4754(4) 0.4786(9) 0.1759(5) 0.042(3) Uani 1 1 d . . . . .
C17 C 0.5099(5) 0.5236(12) 0.2164(7) 0.078(5) Uani 1 1 d . . . . .
H17 H 0.5023 0.5560 0.2433 0.094 Uiso 1 1 calc R U . . .
C18 C 0.5554(4) 0.5223(11) 0.2184(6) 0.070(5) Uani 1 1 d . . . . .
H18 H 0.5786 0.5534 0.2468 0.085 Uiso 1 1 calc R U . . .
C19 C 0.4262(5) 0.4837(15) 0.1731(8) 0.091(2) Uani 1 1 d . U . . .
C21 C 0.7023(3) 0.3242(7) 0.2997(4) 0.027(2) Uani 1 1 d . . . . .
C22 C 0.6613(3) 0.3344(7) 0.2983(4) 0.028(2) Uani 1 1 d . . . . .
C23 C 0.6160(3) 0.3329(7) 0.3053(4) 0.027(2) Uani 1 1 d . . . . .
C24 C 0.5796(5) 0.2826(11) 0.2708(7) 0.072(5) Uani 1 1 d . . . . .
H24 H 0.5839 0.2491 0.2421 0.087 Uiso 1 1 calc R U . . .
C25 C 0.5360(5) 0.2807(13) 0.2778(7) 0.082(5) Uani 1 1 d . . . . .
H25 H 0.5120 0.2444 0.2542 0.098 Uiso 1 1 calc R U . . .
C26 C 0.5277(4) 0.3283(9) 0.3166(5) 0.047(3) Uani 1 1 d . . . . .
C27 C 0.5614(5) 0.3828(10) 0.3492(8) 0.076(5) Uani 1 1 d . . . . .
H27 H 0.5549 0.4208 0.3746 0.091 Uiso 1 1 calc R U . . .
C28 C 0.6068(5) 0.3830(9) 0.3452(6) 0.059(4) Uani 1 1 d . . . . .
H28 H 0.6308 0.4177 0.3702 0.071 Uiso 1 1 calc R U . . .
C29 C 0.4796(4) 0.3252(7) 0.3227(5) 0.092(2) Uani 1 1 d D U . . .
C31 C 0.7856(3) 0.5238(7) 0.1775(4) 0.029(2) Uani 1 1 d . . . . .
C32 C 0.8275(3) 0.5211(7) 0.1801(4) 0.028(2) Uani 1 1 d . . . . .
C33 C 0.8723(3) 0.5351(7) 0.1712(5) 0.033(2) Uani 1 1 d . . . . .
C34 C 0.8860(4) 0.4795(9) 0.1359(5) 0.045(3) Uani 1 1 d . . . . .
H34 H 0.8677 0.4297 0.1195 0.054 Uiso 1 1 calc R U . . .
C35 C 0.9263(4) 0.4982(9) 0.1253(5) 0.054(3) Uani 1 1 d . . . . .
H35 H 0.9344 0.4617 0.1004 0.065 Uiso 1 1 calc R U . . .
C36 C 0.9549(4) 0.5684(10) 0.1500(6) 0.054(3) Uani 1 1 d . . . . .
C37 C 0.9424(5) 0.6199(13) 0.1865(8) 0.088(6) Uani 1 1 d . . . . .
H37 H 0.9621 0.6670 0.2048 0.106 Uiso 1 1 calc R U . . .
C38 C 0.9014(5) 0.6047(10) 0.1973(7) 0.076(5) Uani 1 1 d . . . . .
H38 H 0.8936 0.6416 0.2222 0.091 Uiso 1 1 calc R U . . .
C39 C 0.9999(7) 0.5899(14) 0.1390(8) 0.082(5) Uani 1 1 d . . . . .
C41 C 0.8242(3) 0.3048(6) 0.2715(4) 0.028(2) Uani 1 1 d . . . . .
C42 C 0.8589(3) 0.3151(6) 0.2577(4) 0.025(2) Uani 1 1 d . . . . .
C43 C 0.9022(3) 0.3131(7) 0.2458(4) 0.028(2) Uani 1 1 d . . . . .
C44 C 0.9386(4) 0.3737(9) 0.2707(5) 0.043(3) Uani 1 1 d . . . . .
H44 H 0.9361 0.4136 0.2977 0.052 Uiso 1 1 calc R U . . .
C45 C 0.9779(4) 0.3756(10) 0.2563(6) 0.054(3) Uani 1 1 d . . . . .
H45 H 1.0018 0.4172 0.2730 0.065 Uiso 1 1 calc R U . . .
C46 C 0.9825(4) 0.3156(8) 0.2166(5) 0.044(3) Uani 1 1 d . . . . .
C47 C 0.9471(4) 0.2549(8) 0.1917(5) 0.044(3) Uani 1 1 d . . . . .
H47 H 0.9502 0.2150 0.1651 0.053 Uiso 1 1 calc R U . . .
C48 C 0.9068(4) 0.2520(8) 0.2054(4) 0.038(3) Uani 1 1 d . . . . .
H48 H 0.8830 0.2104 0.1884 0.045 Uiso 1 1 calc R U . . .
C49 C 1.0218(7) 0.3143(17) 0.2008(12) 0.129(3) Uani 1 1 d . U . . .
C111 C 0.6715(4) 0.7316(7) 0.1571(5) 0.037(3) Uani 1 1 d . . . . .
C112 C 0.6756(5) 0.8211(8) 0.1617(7) 0.075(5) Uani 1 1 d . . . . .
H112 H 0.7009 0.8455 0.1911 0.090 Uiso 1 1 calc R U . . .
C113 C 0.6433(6) 0.8790(11) 0.1237(9) 0.098(6) Uani 1 1 d . . . . .
H113 H 0.6467 0.9408 0.1283 0.117 Uiso 1 1 calc R U . . .
C114 C 0.6066(5) 0.8432(10) 0.0796(6) 0.064(4) Uani 1 1 d . . . . .
H114 H 0.5853 0.8804 0.0530 0.077 Uiso 1 1 calc R U . . .
C115 C 0.6017(6) 0.7525(11) 0.0752(6) 0.071(4) Uani 1 1 d . . . . .
H115 H 0.5766 0.7270 0.0460 0.085 Uiso 1 1 calc R U . . .
C116 C 0.6341(5) 0.6991(9) 0.1145(6) 0.066(4) Uani 1 1 d . . . . .
H116 H 0.6299 0.6373 0.1114 0.079 Uiso 1 1 calc R U . . .
C121 C 0.7666(4) 0.7214(7) 0.2370(6) 0.043(3) Uani 1 1 d . . . . .
C122 C 0.7818(4) 0.7536(9) 0.2913(6) 0.059(4) Uani 1 1 d . . . . .
H122 H 0.7646 0.7405 0.3143 0.071 Uiso 1 1 calc R U . . .
C123 C 0.8222(5) 0.8048(10) 0.3122(8) 0.072(5) Uani 1 1 d . . . . .
H123 H 0.8327 0.8246 0.3494 0.086 Uiso 1 1 calc R U . . .
C124 C 0.8460(5) 0.8256(9) 0.2793(10) 0.084(6) Uani 1 1 d . . . . .
H124 H 0.8730 0.8612 0.2940 0.101 Uiso 1 1 calc R U . . .
C125 C 0.8326(5) 0.7969(10) 0.2241(9) 0.076(5) Uani 1 1 d . . . . .
H125 H 0.8502 0.8128 0.2020 0.091 Uiso 1 1 calc R U . . .
C126 C 0.7912(5) 0.7421(8) 0.2016(7) 0.058(4) Uani 1 1 d . . . . .
H126 H 0.7811 0.7212 0.1647 0.070 Uiso 1 1 calc R U . . .
C131 C 0.6924(3) 0.6452(7) 0.2663(5) 0.033(2) Uani 1 1 d . . . . .
C132 C 0.6594(3) 0.7023(7) 0.2745(5) 0.037(3) Uani 1 1 d . . . . .
H132 H 0.6462 0.7488 0.2493 0.044 Uiso 1 1 calc R U . . .
C133 C 0.6462(4) 0.6885(8) 0.3218(5) 0.044(3) Uani 1 1 d . . . . .
H133 H 0.6239 0.7255 0.3285 0.053 Uiso 1 1 calc R U . . .
C134 C 0.6667(4) 0.6203(9) 0.3573(5) 0.047(3) Uani 1 1 d . . . . .
H134 H 0.6584 0.6097 0.3887 0.057 Uiso 1 1 calc R U . . .
C135 C 0.6999(3) 0.5663(8) 0.3468(4) 0.034(2) Uani 1 1 d . . . . .
H135 H 0.7140 0.5207 0.3722 0.041 Uiso 1 1 calc R U . . .
C211 C 0.8532(3) 0.2703(8) 0.4234(4) 0.032(2) Uani 1 1 d . . . . .
C212 C 0.8784(4) 0.2860(8) 0.4806(4) 0.035(3) Uani 1 1 d . . . . .
H212 H 0.8731 0.3382 0.4975 0.042 Uiso 1 1 calc R U . . .
C213 C 0.9111(4) 0.2247(10) 0.5119(5) 0.050(3) Uani 1 1 d . . . . .
H213 H 0.9274 0.2354 0.5501 0.061 Uiso 1 1 calc R U . . .
C214 C 0.9202(5) 0.1478(12) 0.4879(5) 0.074(5) Uani 1 1 d . . . . .
H214 H 0.9428 0.1069 0.5092 0.089 Uiso 1 1 calc R U . . .
C215 C 0.8955(7) 0.1324(13) 0.4323(7) 0.096(6) Uani 1 1 d . . . . .
H215 H 0.9015 0.0807 0.4155 0.115 Uiso 1 1 calc R U . . .
C216 C 0.8612(6) 0.1928(11) 0.4000(6) 0.072(4) Uani 1 1 d . . . . .
H216 H 0.8439 0.1801 0.3623 0.086 Uiso 1 1 calc R U . . .
C221 C 0.7848(3) 0.4018(8) 0.4261(4) 0.032(2) Uani 1 1 d . . . . .
C222 C 0.7464(4) 0.3547(9) 0.4317(4) 0.041(3) Uani 1 1 d . . . . .
H222 H 0.7373 0.2997 0.4139 0.049 Uiso 1 1 calc R U . . .
C223 C 0.7222(5) 0.3909(11) 0.4642(5) 0.060(4) Uani 1 1 d . . . . .
H223 H 0.6956 0.3617 0.4662 0.072 Uiso 1 1 calc R U . . .
C224 C 0.7370(5) 0.4677(12) 0.4926(6) 0.063(4) Uani 1 1 d . . . . .
H224 H 0.7207 0.4902 0.5146 0.076 Uiso 1 1 calc R U . . .
C225 C 0.7747(5) 0.5133(10) 0.4901(5) 0.062(4) Uani 1 1 d . . . . .
H225 H 0.7843 0.5662 0.5104 0.075 Uiso 1 1 calc R U . . .
C226 C 0.7996(4) 0.4802(9) 0.4565(5) 0.044(3) Uani 1 1 d . . . . .
H226 H 0.8259 0.5110 0.4548 0.053 Uiso 1 1 calc R U . . .
C231 C 0.8526(3) 0.4452(7) 0.3741(4) 0.026(2) Uani 1 1 d . . . . .
C232 C 0.9004(3) 0.4492(8) 0.4049(4) 0.035(3) Uani 1 1 d . . . . .
H232 H 0.9149 0.4055 0.4316 0.042 Uiso 1 1 calc R U . . .
C233 C 0.9267(4) 0.5192(9) 0.3954(4) 0.041(3) Uani 1 1 d . . . . .
H233 H 0.9590 0.5232 0.4161 0.049 Uiso 1 1 calc R U . . .
C234 C 0.9053(4) 0.5815(8) 0.3561(5) 0.044(3) Uani 1 1 d . . . . .
H234 H 0.9226 0.6290 0.3496 0.053 Uiso 1 1 calc R U . . .
C235 C 0.8572(4) 0.5737(7) 0.3255(4) 0.033(2) Uani 1 1 d . . . . .
H235 H 0.8428 0.6162 0.2978 0.040 Uiso 1 1 calc R U . . .
C311 C 0.7328(5) 0.0862(8) 0.3076(5) 0.0489(13) Uani 1 1 d . U . . .
C312 C 0.7523(5) 0.0022(8) 0.3151(5) 0.0502(13) Uani 1 1 d . U . . .
H312 H 0.7685 -0.0173 0.2921 0.060 Uiso 1 1 calc R U . . .
C313 C 0.7481(5) -0.0553(9) 0.3573(5) 0.0511(13) Uani 1 1 d . U . . .
H313 H 0.7615 -0.1123 0.3624 0.061 Uiso 1 1 calc R U . . .
C314 C 0.7236(5) -0.0254(8) 0.3913(5) 0.0504(13) Uani 1 1 d . U . . .
H314 H 0.7208 -0.0623 0.4195 0.061 Uiso 1 1 calc R U . . .
C315 C 0.7043(5) 0.0564(8) 0.3834(5) 0.0492(13) Uani 1 1 d . U . . .
H315 H 0.6871 0.0754 0.4053 0.059 Uiso 1 1 calc R U . . .
C316 C 0.7095(5) 0.1119(8) 0.3435(5) 0.0489(13) Uani 1 1 d . U . . .
H316 H 0.6970 0.1695 0.3401 0.059 Uiso 1 1 calc R U . . .
C321 C 0.7697(4) 0.0994(7) 0.2182(4) 0.033(2) Uani 1 1 d . . . . .
C322 C 0.7450(4) 0.0505(8) 0.1694(5) 0.041(3) Uani 1 1 d . . . . .
H322 H 0.7120 0.0510 0.1548 0.049 Uiso 1 1 calc R U . . .
C323 C 0.7702(5) 0.0014(8) 0.1430(5) 0.051(3) Uani 1 1 d . . . . .
H323 H 0.7537 -0.0327 0.1113 0.061 Uiso 1 1 calc R U . . .
C324 C 0.8185(5) 0.0021(8) 0.1623(5) 0.050(3) Uani 1 1 d . . . . .
H324 H 0.8347 -0.0286 0.1429 0.060 Uiso 1 1 calc R U . . .
C325 C 0.8431(5) 0.0482(8) 0.2107(6) 0.051(3) Uani 1 1 d . . . . .
H325 H 0.8761 0.0469 0.2248 0.061 Uiso 1 1 calc R U . . .
C326 C 0.8192(4) 0.0969(7) 0.2389(5) 0.037(3) Uani 1 1 d . . . . .
H326 H 0.8362 0.1280 0.2716 0.044 Uiso 1 1 calc R U . . .
C331 C 0.6790(3) 0.1698(6) 0.2034(4) 0.028(2) Uani 1 1 d . . . . .
C332 C 0.6426(4) 0.1106(7) 0.2010(4) 0.034(2) Uani 1 1 d . . . . .
H332 H 0.6477 0.0652 0.2276 0.041 Uiso 1 1 calc R U . . .
C333 C 0.5984(4) 0.1206(8) 0.1582(5) 0.047(3) Uani 1 1 d . . . . .
H333 H 0.5738 0.0814 0.1558 0.057 Uiso 1 1 calc R U . . .
C334 C 0.5915(4) 0.1882(9) 0.1199(5) 0.049(3) Uani 1 1 d . . . . .
H334 H 0.5623 0.1962 0.0910 0.059 Uiso 1 1 calc R U . . .
C335 C 0.6294(4) 0.2445(8) 0.1256(5) 0.043(3) Uani 1 1 d . . . . .
H335 H 0.6247 0.2904 0.0993 0.051 Uiso 1 1 calc R U . . .
C411 C 0.7113(4) 0.5686(7) 0.0371(4) 0.033(2) Uani 1 1 d . . . . .
C412 C 0.7562(5) 0.6053(8) 0.0484(5) 0.052(3) Uani 1 1 d . . . . .
H412 H 0.7827 0.5757 0.0730 0.063 Uiso 1 1 calc R U . . .
C413 C 0.7621(5) 0.6854(10) 0.0237(6) 0.069(4) Uani 1 1 d . . . . .
H413 H 0.7923 0.7094 0.0323 0.083 Uiso 1 1 calc R U . . .
C414 C 0.7243(6) 0.7284(9) -0.0125(6) 0.066(4) Uani 1 1 d . . . . .
H414 H 0.7286 0.7820 -0.0288 0.079 Uiso 1 1 calc R U . . .
C415 C 0.6800(6) 0.6938(10) -0.0255(6) 0.062(4) Uani 1 1 d . . . . .
H415 H 0.6539 0.7241 -0.0503 0.074 Uiso 1 1 calc R U . . .
C416 C 0.6736(4) 0.6114(8) -0.0011(5) 0.046(3) Uani 1 1 d . . . . .
H416 H 0.6434 0.5866 -0.0113 0.055 Uiso 1 1 calc R U . . .
C421 C 0.6467(4) 0.4247(7) 0.0326(4) 0.033(2) Uani 1 1 d . . . . .
C422 C 0.6052(4) 0.4574(9) 0.0344(5) 0.046(3) Uani 1 1 d . . . . .
H422 H 0.6064 0.5041 0.0592 0.055 Uiso 1 1 calc R U . . .
C423 C 0.5608(4) 0.4238(11) 0.0006(6) 0.063(4) Uani 1 1 d . . . . .
H423 H 0.5330 0.4462 0.0036 0.076 Uiso 1 1 calc R U . . .
C424 C 0.5593(5) 0.3568(12) -0.0371(6) 0.074(5) Uani 1 1 d . . . . .
H424 H 0.5303 0.3350 -0.0613 0.089 Uiso 1 1 calc R U . . .
C425 C 0.6008(5) 0.3224(11) -0.0388(6) 0.070(4) Uani 1 1 d . . . . .
H425 H 0.5997 0.2759 -0.0637 0.084 Uiso 1 1 calc R U . . .
C426 C 0.6444(4) 0.3553(8) -0.0045(5) 0.049(3) Uani 1 1 d . . . . .
H426 H 0.6722 0.3308 -0.0063 0.059 Uiso 1 1 calc R U . . .
C431 C 0.7451(3) 0.3875(7) 0.0732(4) 0.029(2) Uani 1 1 d . . . . .
C432 C 0.7670(4) 0.3861(7) 0.0330(4) 0.030(2) Uani 1 1 d . . . . .
H432 H 0.7615 0.4322 0.0068 0.035 Uiso 1 1 calc R U . . .
C433 C 0.7966(4) 0.3164(8) 0.0325(5) 0.043(3) Uani 1 1 d . . . . .
H433 H 0.8111 0.3143 0.0058 0.051 Uiso 1 1 calc R U . . .
C434 C 0.8044(4) 0.2492(8) 0.0725(4) 0.037(3) Uani 1 1 d . . . . .
H434 H 0.8250 0.2022 0.0739 0.044 Uiso 1 1 calc R U . . .
C435 C 0.7815(4) 0.2534(7) 0.1096(4) 0.033(2) Uani 1 1 d . . . . .
H435 H 0.7857 0.2064 0.1350 0.040 Uiso 1 1 calc R U . . .
Cl1S Cl 0.5273(4) 0.1290(8) -0.0223(5) 0.133(2) Uani 0.6 1 d D U P . .
Cl2S Cl 0.6291(3) 0.0829(8) 0.0249(4) 0.126(2) Uani 0.6 1 d D U P . .
C1S C 0.5704(4) 0.0503(15) 0.0125(15) 0.130(2) Uani 0.6 1 d D U P . .
H1SA H 0.5639 -0.0044 -0.0096 0.155 Uiso 0.6 1 calc R U P . .
H1SB H 0.5674 0.0365 0.0485 0.155 Uiso 0.6 1 calc R U P . .
Cl3S Cl 0.8467(7) 0.7816(16) -0.0435(8) 0.172(5) Uani 0.4 1 d D U P . .
Cl4S Cl 0.9382(7) 0.7171(16) -0.0332(8) 0.176(5) Uani 0.4 1 d D U P . .
C2S C 0.8882(13) 0.695(3) -0.016(3) 0.174(5) Uani 0.4 1 d D U P . .
H2SA H 0.8970 0.6925 0.0250 0.209 Uiso 0.4 1 calc R U P . .
H2SB H 0.8744 0.6378 -0.0313 0.209 Uiso 0.4 1 calc R U P . .
P5 P 0.45500(11) 0.1557(3) 0.10643(14) 0.0546(9) Uani 1 1 d . . . . .
F13 F 0.5011(3) 0.1934(7) 0.1519(4) 0.084(3) Uani 1 1 d . . . . .
F14 F 0.4077(3) 0.1200(8) 0.0609(4) 0.103(3) Uani 1 1 d . . . . .
F15 F 0.4255(3) 0.2384(6) 0.1158(4) 0.084(3) Uani 1 1 d . . . . .
F16 F 0.4840(3) 0.0723(7) 0.0979(5) 0.098(3) Uani 1 1 d . . . . .
F17 F 0.4676(3) 0.2081(9) 0.0606(4) 0.105(4) Uani 1 1 d . . . . .
F18 F 0.4420(3) 0.1027(7) 0.1533(4) 0.096(3) Uani 1 1 d . . . . .
P6 P 0.92943(12) 0.4877(3) 0.60126(15) 0.0595(10) Uani 1 1 d . . . . .
F19 F 0.8907(4) 0.5627(7) 0.5915(6) 0.117(4) Uani 1 1 d . . . . .
F20 F 0.9677(4) 0.4125(9) 0.6115(6) 0.145(5) Uani 1 1 d . . . . .
F21 F 0.9348(4) 0.4869(9) 0.6649(4) 0.126(5) Uani 1 1 d . . . . .
F22 F 0.9212(4) 0.4883(8) 0.5368(4) 0.112(4) Uani 1 1 d . . . . .
F23 F 0.8893(3) 0.4127(6) 0.5910(3) 0.082(3) Uani 1 1 d . . . . .
F24 F 0.9694(3) 0.5610(7) 0.6117(4) 0.088(3) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C31 1.977(9) . ?
Pt1 C11 2.008(10) . ?
Pt1 P1 2.325(3) . ?
Pt1 P4 2.327(2) . ?
Pt1 Cu4 2.7203(14) . ?
Pt1 Cu2 2.7338(14) . ?
Pt1 Cu1 2.8445(14) . ?
Pt1 Cu3 2.8794(14) . ?
Pt2 C41 2.007(10) . ?
Pt2 C21 2.007(9) . ?
Pt2 P2 2.327(2) . ?
Pt2 P3 2.330(2) . ?
Pt2 Cu2 2.7668(14) . ?
Pt2 Cu4 2.7749(14) . ?
Pt2 Cu3 2.8902(14) . ?
Pt2 Cu1 2.8961(14) . ?
Cu1 C21 1.967(9) . ?
Cu1 C11 1.986(10) . ?
Cu1 C22 2.146(10) . ?
Cu1 C12 2.179(9) . ?
Cu1 Cu2 2.6353(19) . ?
Cu1 Cu4 2.6407(18) . ?
Cu2 N2 2.061(8) . ?
Cu2 N1 2.069(8) . ?
Cu2 Cu3 2.6317(18) . ?
Cu3 C31 1.971(11) . ?
Cu3 C41 1.995(10) . ?
Cu3 C42 2.147(9) . ?
Cu3 C32 2.184(10) . ?
Cu3 Cu4 2.6241(18) . ?
Cu4 N3 2.060(8) . ?
Cu4 N4 2.093(8) . ?
P1 C121 1.824(11) . ?
P1 C111 1.825(11) . ?
P1 C131 1.839(11) . ?
P2 C221 1.821(10) . ?
P2 C211 1.824(11) . ?
P2 C231 1.832(10) . ?
P3 C331 1.817(10) . ?
P3 C321 1.818(10) . ?
P3 C311 1.819(12) . ?
P4 C411 1.814(11) . ?
P4 C431 1.815(10) . ?
P4 C421 1.821(11) . ?
F1 F3A 1.07(2) . ?
F1 F1A 1.15(3) . ?
F1 C19 1.18(3) . ?
F1A C19 1.41(3) . ?
F1A F3 1.47(3) . ?
F2 F2A 0.75(3) . ?
F2 C19 1.40(3) . ?
F2A C19 1.20(3) . ?
F2A F3 1.30(3) . ?
F3 C19 1.48(3) . ?
F3A C19 1.43(3) . ?
F4 F5A 1.110(19) . ?
F4 C29 1.347(9) . ?
F4 F6A 1.418(17) . ?
F4A F5 0.66(2) . ?
F4A C29 1.370(9) . ?
F5 C29 1.326(9) . ?
F5 F5A 1.649(18) . ?
F5A C29 1.398(9) . ?
F6 F6A 0.911(18) . ?
F6 C29 1.416(9) . ?
F6A C29 1.318(9) . ?
F7 C39 1.35(2) . ?
F8 C39 1.314(18) . ?
F9 C39 1.28(2) . ?
F10 C49 1.37(3) . ?
F11 C49 1.23(2) . ?
F12 C49 1.41(3) . ?
N1 C135 1.345(13) . ?
N1 C131 1.352(13) . ?
N2 C235 1.347(13) . ?
N2 C231 1.358(13) . ?
N3 C335 1.314(13) . ?
N3 C331 1.360(13) . ?
N4 C435 1.327(12) . ?
N4 C431 1.357(13) . ?
C11 C12 1.216(13) . ?
C12 C13 1.462(13) . ?
C13 C14 1.370(17) . ?
C13 C18 1.392(16) . ?
C14 C15 1.372(17) . ?
C15 C16 1.345(18) . ?
C16 C17 1.349(19) . ?
C16 C19 1.464(17) . ?
C17 C18 1.354(18) . ?
C21 C22 1.233(13) . ?
C22 C23 1.439(13) . ?
C23 C24 1.359(16) . ?
C23 C28 1.366(15) . ?
C24 C25 1.388(18) . ?
C25 C26 1.309(19) . ?
C26 C27 1.332(19) . ?
C26 C29 1.512(14) . ?
C27 C28 1.407(17) . ?
C31 C32 1.242(13) . ?
C32 C33 1.463(13) . ?
C33 C38 1.368(16) . ?
C33 C34 1.387(15) . ?
C34 C35 1.366(16) . ?
C35 C36 1.360(18) . ?
C36 C37 1.36(2) . ?
C36 C39 1.51(2) . ?
C37 C38 1.376(18) . ?
C41 C42 1.228(13) . ?
C42 C43 1.441(13) . ?
C43 C44 1.388(15) . ?
C43 C48 1.415(14) . ?
C44 C45 1.361(15) . ?
C45 C46 1.391(17) . ?
C46 C47 1.371(17) . ?
C46 C49 1.380(19) . ?
C47 C48 1.378(15) . ?
C111 C112 1.343(16) . ?
C111 C116 1.343(17) . ?
C112 C113 1.40(2) . ?
C113 C114 1.37(2) . ?
C114 C115 1.36(2) . ?
C115 C116 1.373(18) . ?
C121 C122 1.373(18) . ?
C121 C126 1.390(18) . ?
C122 C123 1.373(18) . ?
C123 C124 1.32(2) . ?
C124 C125 1.38(2) . ?
C125 C126 1.43(2) . ?
C131 C132 1.379(14) . ?
C132 C133 1.408(16) . ?
C133 C134 1.353(17) . ?
C134 C135 1.384(15) . ?
C211 C216 1.360(17) . ?
C211 C212 1.397(14) . ?
C212 C213 1.370(16) . ?
C213 C214 1.37(2) . ?
C214 C215 1.36(2) . ?
C215 C216 1.395(19) . ?
C221 C226 1.384(16) . ?
C221 C222 1.403(15) . ?
C222 C223 1.391(16) . ?
C223 C224 1.34(2) . ?
C224 C225 1.35(2) . ?
C225 C226 1.411(16) . ?
C231 C232 1.374(13) . ?
C232 C233 1.383(15) . ?
C233 C234 1.347(16) . ?
C234 C235 1.383(15) . ?
C311 C312 1.369(17) . ?
C311 C316 1.387(15) . ?
C312 C313 1.413(16) . ?
C313 C314 1.393(16) . ?
C314 C315 1.336(17) . ?
C315 C316 1.362(16) . ?
C321 C326 1.392(15) . ?
C321 C322 1.401(15) . ?
C322 C323 1.389(15) . ?
C323 C324 1.360(18) . ?
C324 C325 1.370(18) . ?
C325 C326 1.389(15) . ?
C331 C332 1.394(14) . ?
C332 C333 1.393(15) . ?
C333 C334 1.363(16) . ?
C334 C335 1.385(16) . ?
C411 C416 1.362(15) . ?
C411 C412 1.392(16) . ?
C412 C413 1.390(17) . ?
C413 C414 1.34(2) . ?
C414 C415 1.36(2) . ?
C415 C416 1.420(17) . ?
C421 C422 1.360(15) . ?
C421 C426 1.385(15) . ?
C422 C423 1.399(16) . ?
C423 C424 1.37(2) . ?
C424 C425 1.37(2) . ?
C425 C426 1.381(17) . ?
C431 C432 1.398(13) . ?
C432 C433 1.373(15) . ?
C433 C434 1.385(16) . ?
C434 C435 1.353(14) . ?
Cl1S C1S 1.740(10) . ?
Cl2S C1S 1.755(10) . ?
Cl3S C2S 1.760(10) . ?
Cl4S C2S 1.750(10) . ?
P5 F17 1.557(9) . ?
P5 F13 1.560(8) . ?
P5 F14 1.572(9) . ?
P5 F16 1.579(10) . ?
P5 F15 1.587(10) . ?
P5 F18 1.590(9) . ?
P6 F20 1.562(12) . ?
P6 F21 1.565(9) . ?
P6 F22 1.565(9) . ?
P6 F19 1.572(12) . ?
P6 F24 1.578(9) . ?
P6 F23 1.599(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
C31 Pt1 C11 172.5(4) . . ?
C31 Pt1 P1 96.1(3) . . ?
C11 Pt1 P1 86.5(3) . . ?
C31 Pt1 P4 86.3(3) . . ?
C11 Pt1 P4 97.6(3) . . ?
P1 Pt1 P4 128.58(9) . . ?
C31 Pt1 Cu4 91.6(3) . . ?
C11 Pt1 Cu4 83.1(3) . . ?
P1 Pt1 Cu4 153.83(8) . . ?
P4 Pt1 Cu4 76.76(7) . . ?
C31 Pt1 Cu2 80.9(3) . . ?
C11 Pt1 Cu2 92.9(3) . . ?
P1 Pt1 Cu2 76.11(7) . . ?
P4 Pt1 Cu2 153.54(7) . . ?
Cu4 Pt1 Cu2 80.49(4) . . ?
C31 Pt1 Cu1 128.2(3) . . ?
C11 Pt1 Cu1 44.3(3) . . ?
P1 Pt1 Cu1 99.90(7) . . ?
P4 Pt1 Cu1 118.46(7) . . ?
Cu4 Pt1 Cu1 56.61(4) . . ?
Cu2 Pt1 Cu1 56.34(4) . . ?
C31 Pt1 Cu3 43.1(3) . . ?
C11 Pt1 Cu3 129.6(3) . . ?
P1 Pt1 Cu3 116.86(7) . . ?
P4 Pt1 Cu3 99.54(7) . . ?
Cu4 Pt1 Cu3 55.80(4) . . ?
Cu2 Pt1 Cu3 55.85(4) . . ?
Cu1 Pt1 Cu3 86.26(4) . . ?
C41 Pt2 C21 170.2(4) . . ?
C41 Pt2 P2 86.5(3) . . ?
C21 Pt2 P2 97.6(3) . . ?
C41 Pt2 P3 96.1(3) . . ?
C21 Pt2 P3 87.8(3) . . ?
P2 Pt2 P3 131.94(9) . . ?
C41 Pt2 Cu2 91.9(3) . . ?
C21 Pt2 Cu2 80.6(3) . . ?
P2 Pt2 Cu2 75.27(7) . . ?
P3 Pt2 Cu2 151.94(7) . . ?
C41 Pt2 Cu4 81.1(3) . . ?
C21 Pt2 Cu4 91.2(3) . . ?
P2 Pt2 Cu4 150.93(7) . . ?
P3 Pt2 Cu4 75.80(7) . . ?
Cu2 Pt2 Cu4 78.97(4) . . ?
C41 Pt2 Cu3 43.6(3) . . ?
C21 Pt2 Cu3 126.7(3) . . ?
P2 Pt2 Cu3 98.37(7) . . ?
P3 Pt2 Cu3 116.27(7) . . ?
Cu2 Pt2 Cu3 55.40(4) . . ?
Cu4 Pt2 Cu3 55.14(4) . . ?
C41 Pt2 Cu1 127.6(3) . . ?
C21 Pt2 Cu1 42.7(3) . . ?
P2 Pt2 Cu1 116.66(7) . . ?
P3 Pt2 Cu1 99.37(7) . . ?
Cu2 Pt2 Cu1 55.41(4) . . ?
Cu4 Pt2 Cu1 55.46(4) . . ?
Cu3 Pt2 Cu1 85.11(4) . . ?
C21 Cu1 C11 177.9(4) . . ?
C21 Cu1 C22 34.5(4) . . ?
C11 Cu1 C22 143.3(4) . . ?
C21 Cu1 C12 144.4(4) . . ?
C11 Cu1 C12 33.5(4) . . ?
C22 Cu1 C12 110.0(4) . . ?
C21 Cu1 Cu2 84.8(3) . . ?
C11 Cu1 Cu2 96.4(3) . . ?
C22 Cu1 Cu2 108.9(3) . . ?
C12 Cu1 Cu2 121.4(3) . . ?
C21 Cu1 Cu4 96.2(3) . . ?
C11 Cu1 Cu4 85.7(3) . . ?
C22 Cu1 Cu4 122.3(3) . . ?
C12 Cu1 Cu4 109.3(3) . . ?
Cu2 Cu1 Cu4 83.81(5) . . ?
C21 Cu1 Pt1 137.1(3) . . ?
C11 Cu1 Pt1 44.9(3) . . ?
C22 Cu1 Pt1 168.6(3) . . ?
C12 Cu1 Pt1 78.3(3) . . ?
Cu2 Cu1 Pt1 59.71(4) . . ?
Cu4 Cu1 Pt1 59.32(4) . . ?
C21 Cu1 Pt2 43.8(3) . . ?
C11 Cu1 Pt2 138.4(3) . . ?
C22 Cu1 Pt2 78.2(3) . . ?
C12 Cu1 Pt2 169.2(3) . . ?
Cu2 Cu1 Pt2 59.80(4) . . ?
Cu4 Cu1 Pt2 59.94(4) . . ?
Pt1 Cu1 Pt2 94.63(4) . . ?
N2 Cu2 N1 115.8(3) . . ?
N2 Cu2 Cu3 76.9(2) . . ?
N1 Cu2 Cu3 157.5(2) . . ?
N2 Cu2 Cu1 157.5(2) . . ?
N1 Cu2 Cu1 78.6(2) . . ?
Cu3 Cu2 Cu1 95.97(6) . . ?
N2 Cu2 Pt1 128.2(2) . . ?
N1 Cu2 Pt1 93.4(2) . . ?
Cu3 Cu2 Pt1 64.88(4) . . ?
Cu1 Cu2 Pt1 63.95(4) . . ?
N2 Cu2 Pt2 93.2(2) . . ?
N1 Cu2 Pt2 129.1(2) . . ?
Cu3 Cu2 Pt2 64.68(4) . . ?
Cu1 Cu2 Pt2 64.78(4) . . ?
Pt1 Cu2 Pt2 100.20(4) . . ?
C31 Cu3 C41 179.9(5) . . ?
C31 Cu3 C42 145.9(4) . . ?
C41 Cu3 C42 34.2(4) . . ?
C31 Cu3 C32 34.3(4) . . ?
C41 Cu3 C32 145.8(4) . . ?
C42 Cu3 C32 111.9(4) . . ?
C31 Cu3 Cu4 94.6(3) . . ?
C41 Cu3 Cu4 85.2(3) . . ?
C42 Cu3 Cu4 107.6(3) . . ?
C32 Cu3 Cu4 120.4(3) . . ?
C31 Cu3 Cu2 83.7(3) . . ?
C41 Cu3 Cu2 96.3(3) . . ?
C42 Cu3 Cu2 123.2(3) . . ?
C32 Cu3 Cu2 107.7(3) . . ?
Cu4 Cu3 Cu2 84.20(5) . . ?
C31 Cu3 Pt1 43.3(3) . . ?
C41 Cu3 Pt1 136.6(3) . . ?
C42 Cu3 Pt1 166.6(3) . . ?
C32 Cu3 Pt1 77.4(3) . . ?
Cu4 Cu3 Pt1 59.03(4) . . ?
Cu2 Cu3 Pt1 59.28(4) . . ?
C31 Cu3 Pt2 136.0(3) . . ?
C41 Cu3 Pt2 43.9(3) . . ?
C42 Cu3 Pt2 78.2(3) . . ?
C32 Cu3 Pt2 167.6(3) . . ?
Cu4 Cu3 Pt2 60.20(4) . . ?
Cu2 Cu3 Pt2 59.92(4) . . ?
Pt1 Cu3 Pt2 94.01(4) . . ?
N3 Cu4 N4 112.0(3) . . ?
N3 Cu4 Cu3 157.3(2) . . ?
N4 Cu4 Cu3 80.1(2) . . ?
N3 Cu4 Cu1 79.8(2) . . ?
N4 Cu4 Cu1 157.5(2) . . ?
Cu3 Cu4 Cu1 96.02(6) . . ?
N3 Cu4 Pt1 129.7(2) . . ?
N4 Cu4 Pt1 94.6(2) . . ?
Cu3 Cu4 Pt1 65.17(4) . . ?
Cu1 Cu4 Pt1 64.07(4) . . ?
N3 Cu4 Pt2 93.8(2) . . ?
N4 Cu4 Pt2 130.4(2) . . ?
Cu3 Cu4 Pt2 64.66(4) . . ?
Cu1 Cu4 Pt2 64.60(4) . . ?
Pt1 Cu4 Pt2 100.33(4) . . ?
C121 P1 C111 103.4(5) . . ?
C121 P1 C131 101.5(5) . . ?
C111 P1 C131 105.2(5) . . ?
C121 P1 Pt1 119.1(3) . . ?
C111 P1 Pt1 115.3(4) . . ?
C131 P1 Pt1 110.7(3) . . ?
C221 P2 C211 103.7(5) . . ?
C221 P2 C231 103.9(5) . . ?
C211 P2 C231 104.5(5) . . ?
C221 P2 Pt2 118.3(3) . . ?
C211 P2 Pt2 114.7(4) . . ?
C231 P2 Pt2 110.4(3) . . ?
C331 P3 C321 102.2(5) . . ?
C331 P3 C311 103.1(5) . . ?
C321 P3 C311 104.1(5) . . ?
C331 P3 Pt2 110.3(3) . . ?
C321 P3 Pt2 121.0(3) . . ?
C311 P3 Pt2 114.1(4) . . ?
C411 P4 C431 107.0(5) . . ?
C411 P4 C421 104.5(5) . . ?
C431 P4 C421 102.0(5) . . ?
C411 P4 Pt1 110.1(3) . . ?
C431 P4 Pt1 110.4(3) . . ?
C421 P4 Pt1 121.8(3) . . ?
F3A F1 F1A 153(3) . . ?
F3A F1 C19 79(2) . . ?
F1A F1 C19 74(2) . . ?
F1 F1A C19 53.8(15) . . ?
F1 F1A F3 107(2) . . ?
C19 F1A F3 61.8(15) . . ?
F2A F2 C19 59(3) . . ?
F2 F2A C19 88(3) . . ?
F2 F2A F3 160(4) . . ?
C19 F2A F3 72.3(19) . . ?
F2A F3 F1A 99(2) . . ?
F2A F3 C19 50.6(14) . . ?
F1A F3 C19 57.0(14) . . ?
F1 F3A C19 54.0(17) . . ?
F5A F4 C29 68.6(7) . . ?
F5A F4 F6A 120.6(10) . . ?
C29 F4 F6A 56.8(6) . . ?
F5 F4A C29 72.1(10) . . ?
F4A F5 C29 79.6(12) . . ?
F4A F5 F5A 134.2(13) . . ?
C29 F5 F5A 54.8(6) . . ?
F4 F5A C29 63.8(6) . . ?
F4 F5A F5 105.5(9) . . ?
C29 F5A F5 50.8(5) . . ?
F6A F6 C29 64.8(7) . . ?
F6 F6A C29 76.5(9) . . ?
F6 F6A F4 135.2(11) . . ?
C29 F6A F4 58.9(6) . . ?
C135 N1 C131 116.7(8) . . ?
C135 N1 Cu2 122.6(7) . . ?
C131 N1 Cu2 120.7(7) . . ?
C235 N2 C231 117.2(8) . . ?
C235 N2 Cu2 122.2(7) . . ?
C231 N2 Cu2 120.3(6) . . ?
C335 N3 C331 118.1(9) . . ?
C335 N3 Cu4 122.0(7) . . ?
C331 N3 Cu4 119.8(6) . . ?
C435 N4 C431 118.7(8) . . ?
C435 N4 Cu4 122.7(7) . . ?
C431 N4 Cu4 118.5(6) . . ?
C12 C11 Cu1 82.0(7) . . ?
C12 C11 Pt1 171.2(9) . . ?
Cu1 C11 Pt1 90.8(4) . . ?
C11 C12 C13 166.3(11) . . ?
C11 C12 Cu1 64.5(6) . . ?
C13 C12 Cu1 129.2(7) . . ?
C14 C13 C18 117.3(10) . . ?
C14 C13 C12 122.2(10) . . ?
C18 C13 C12 120.5(10) . . ?
C13 C14 C15 120.9(13) . . ?
C16 C15 C14 120.4(13) . . ?
C15 C16 C17 119.7(11) . . ?
C15 C16 C19 120.0(13) . . ?
C17 C16 C19 120.2(13) . . ?
C16 C17 C18 121.1(14) . . ?
C17 C18 C13 120.5(13) . . ?
F1 C19 F2A 115.6(17) . . ?
F1 C19 F2 111.2(18) . . ?
F2A C19 F2 32.6(14) . . ?
F1 C19 F1A 51.9(14) . . ?
F2A C19 F1A 107.5(18) . . ?
F2 C19 F1A 132.5(15) . . ?
F1 C19 F3A 47.0(14) . . ?
F2A C19 F3A 105.0(18) . . ?
F2 C19 F3A 79.8(16) . . ?
F1A C19 F3A 98.9(17) . . ?
F1 C19 C16 123.6(19) . . ?
F2A C19 C16 120.5(19) . . ?
F2 C19 C16 113.1(15) . . ?
F1A C19 C16 111.5(15) . . ?
F3A C19 C16 111.0(16) . . ?
F1 C19 F3 104.9(18) . . ?
F2A C19 F3 57.1(15) . . ?
F2 C19 F3 89.6(17) . . ?
F1A C19 F3 61.2(14) . . ?
F3A C19 F3 140.3(13) . . ?
C16 C19 F3 108.4(15) . . ?
C22 C21 Cu1 80.7(6) . . ?
C22 C21 Pt2 172.2(8) . . ?
Cu1 C21 Pt2 93.6(4) . . ?
C21 C22 C23 168.5(10) . . ?
C21 C22 Cu1 64.8(6) . . ?
C23 C22 Cu1 126.6(7) . . ?
C24 C23 C28 116.6(10) . . ?
C24 C23 C22 120.9(10) . . ?
C28 C23 C22 122.5(10) . . ?
C23 C24 C25 120.9(14) . . ?
C26 C25 C24 122.0(14) . . ?
C25 C26 C27 119.2(11) . . ?
C25 C26 C29 120.6(12) . . ?
C27 C26 C29 120.1(12) . . ?
C26 C27 C28 120.2(13) . . ?
C23 C28 C27 120.8(12) . . ?
F6A C29 F5 121.5(13) . . ?
F6A C29 F4 64.3(9) . . ?
F5 C29 F4 112.3(9) . . ?
F6A C29 F4A 110.3(9) . . ?
F5 C29 F4A 28.3(9) . . ?
F4 C29 F4A 134.4(11) . . ?
F6A C29 F5A 108.3(8) . . ?
F5 C29 F5A 74.5(9) . . ?
F4 C29 F5A 47.6(9) . . ?
F4A C29 F5A 102.7(8) . . ?
F6A C29 F6 38.7(8) . . ?
F5 C29 F6 105.4(8) . . ?
F4 C29 F6 103.0(8) . . ?
F4A C29 F6 82.0(10) . . ?
F5A C29 F6 142.4(10) . . ?
F6A C29 C26 117.7(11) . . ?
F5 C29 C26 116.8(11) . . ?
F4 C29 C26 111.2(10) . . ?
F4A C29 C26 110.4(11) . . ?
F5A C29 C26 106.3(10) . . ?
F6 C29 C26 106.8(10) . . ?
C32 C31 Cu3 82.3(7) . . ?
C32 C31 Pt1 173.2(9) . . ?
Cu3 C31 Pt1 93.7(4) . . ?
C31 C32 C33 164.9(11) . . ?
C31 C32 Cu3 63.4(6) . . ?
C33 C32 Cu3 131.2(7) . . ?
C38 C33 C34 118.6(10) . . ?
C38 C33 C32 120.2(10) . . ?
C34 C33 C32 121.2(10) . . ?
C35 C34 C33 119.8(11) . . ?
C36 C35 C34 121.9(11) . . ?
C37 C36 C35 117.8(11) . . ?
C37 C36 C39 119.5(13) . . ?
C35 C36 C39 122.7(12) . . ?
C36 C37 C38 122.1(14) . . ?
C33 C38 C37 119.7(13) . . ?
F9 C39 F8 107.1(16) . . ?
F9 C39 F7 105.9(17) . . ?
F8 C39 F7 106.4(15) . . ?
F9 C39 C36 113.6(14) . . ?
F8 C39 C36 112.1(15) . . ?
F7 C39 C36 111.2(15) . . ?
C42 C41 Cu3 79.7(7) . . ?
C42 C41 Pt2 171.8(9) . . ?
Cu3 C41 Pt2 92.4(4) . . ?
C41 C42 C43 170.6(10) . . ?
C41 C42 Cu3 66.1(6) . . ?
C43 C42 Cu3 123.3(7) . . ?
C44 C43 C48 118.8(9) . . ?
C44 C43 C42 121.3(9) . . ?
C48 C43 C42 119.8(9) . . ?
C45 C44 C43 121.0(11) . . ?
C44 C45 C46 120.3(12) . . ?
C47 C46 C49 117.9(15) . . ?
C47 C46 C45 119.6(10) . . ?
C49 C46 C45 122.5(15) . . ?
C46 C47 C48 121.2(11) . . ?
C47 C48 C43 119.2(10) . . ?
F11 C49 F10 102.5(16) . . ?
F11 C49 C46 124(2) . . ?
F10 C49 C46 115.4(19) . . ?
F11 C49 F12 104.2(16) . . ?
F10 C49 F12 90.7(16) . . ?
C46 C49 F12 114.4(18) . . ?
C112 C111 C116 116.9(12) . . ?
C112 C111 P1 123.3(10) . . ?
C116 C111 P1 119.8(9) . . ?
C111 C112 C113 122.4(14) . . ?
C114 C113 C112 118.9(15) . . ?
C115 C114 C113 119.2(13) . . ?
C114 C115 C116 119.2(14) . . ?
C111 C116 C115 123.4(13) . . ?
C122 C121 C126 120.4(12) . . ?
C122 C121 P1 123.1(10) . . ?
C126 C121 P1 116.4(10) . . ?
C123 C122 C121 121.0(14) . . ?
C124 C123 C122 119.7(16) . . ?
C123 C124 C125 122.8(15) . . ?
C124 C125 C126 118.7(15) . . ?
C121 C126 C125 117.5(14) . . ?
N1 C131 C132 123.3(10) . . ?
N1 C131 P1 113.2(7) . . ?
C132 C131 P1 123.5(9) . . ?
C131 C132 C133 118.5(11) . . ?
C134 C133 C132 118.4(10) . . ?
C133 C134 C135 119.9(11) . . ?
N1 C135 C134 123.2(11) . . ?
C216 C211 C212 118.8(11) . . ?
C216 C211 P2 120.5(9) . . ?
C212 C211 P2 120.6(9) . . ?
C213 C212 C211 120.1(11) . . ?
C212 C213 C214 121.1(12) . . ?
C215 C214 C213 118.7(13) . . ?
C214 C215 C216 121.2(15) . . ?
C211 C216 C215 120.1(14) . . ?
C226 C221 C222 118.8(10) . . ?
C226 C221 P2 123.3(8) . . ?
C222 C221 P2 118.0(9) . . ?
C223 C222 C221 119.5(12) . . ?
C224 C223 C222 120.2(12) . . ?
C223 C224 C225 122.1(12) . . ?
C224 C225 C226 119.5(13) . . ?
C221 C226 C225 119.7(11) . . ?
N2 C231 C232 122.2(9) . . ?
N2 C231 P2 113.4(7) . . ?
C232 C231 P2 124.4(8) . . ?
C231 C232 C233 119.0(10) . . ?
C234 C233 C232 119.8(10) . . ?
C233 C234 C235 119.1(10) . . ?
N2 C235 C234 122.8(10) . . ?
C312 C311 C316 117.1(11) . . ?
C312 C311 P3 122.3(9) . . ?
C316 C311 P3 120.6(9) . . ?
C311 C312 C313 120.7(11) . . ?
C314 C313 C312 119.1(11) . . ?
C315 C314 C313 120.0(11) . . ?
C314 C315 C316 120.3(11) . . ?
C315 C316 C311 122.8(11) . . ?
C326 C321 C322 118.6(10) . . ?
C326 C321 P3 119.8(8) . . ?
C322 C321 P3 121.6(8) . . ?
C323 C322 C321 119.4(11) . . ?
C324 C323 C322 121.5(12) . . ?
C323 C324 C325 119.6(11) . . ?
C324 C325 C326 120.6(12) . . ?
C325 C326 C321 120.2(11) . . ?
N3 C331 C332 120.9(9) . . ?
N3 C331 P3 114.8(7) . . ?
C332 C331 P3 124.3(8) . . ?
C333 C332 C331 119.0(10) . . ?
C334 C333 C332 119.6(10) . . ?
C333 C334 C335 117.7(10) . . ?
N3 C335 C334 124.7(11) . . ?
C416 C411 C412 117.8(10) . . ?
C416 C411 P4 121.4(9) . . ?
C412 C411 P4 120.5(8) . . ?
C413 C412 C411 121.1(12) . . ?
C414 C413 C412 120.4(13) . . ?
C413 C414 C415 120.3(12) . . ?
C414 C415 C416 119.8(12) . . ?
C411 C416 C415 120.5(12) . . ?
C422 C421 C426 118.0(11) . . ?
C422 C421 P4 120.7(9) . . ?
C426 C421 P4 121.3(8) . . ?
C421 C422 C423 122.7(12) . . ?
C424 C423 C422 118.3(13) . . ?
C425 C424 C423 119.6(12) . . ?
C424 C425 C426 121.5(13) . . ?
C425 C426 C421 119.9(12) . . ?
N4 C431 C432 120.2(9) . . ?
N4 C431 P4 115.5(7) . . ?
C432 C431 P4 124.3(8) . . ?
C433 C432 C431 119.7(10) . . ?
C432 C433 C434 118.8(9) . . ?
C435 C434 C433 118.7(10) . . ?
N4 C435 C434 123.8(10) . . ?
Cl1S C1S Cl2S 115.3(11) . . ?
Cl4S C2S Cl3S 108.2(16) . . ?
F17 P5 F13 88.9(5) . . ?
F17 P5 F14 91.3(6) . . ?
F13 P5 F14 178.4(6) . . ?
F17 P5 F16 89.9(6) . . ?
F13 P5 F16 89.7(5) . . ?
F14 P5 F16 91.9(6) . . ?
F17 P5 F15 91.2(6) . . ?
F13 P5 F15 90.4(5) . . ?
F14 P5 F15 87.9(6) . . ?
F16 P5 F15 178.9(6) . . ?
F17 P5 F18 179.7(7) . . ?
F13 P5 F18 91.1(5) . . ?
F14 P5 F18 88.8(6) . . ?
F16 P5 F18 90.4(6) . . ?
F15 P5 F18 88.5(5) . . ?
F20 P6 F21 91.5(8) . . ?
F20 P6 F22 90.5(8) . . ?
F21 P6 F22 177.0(6) . . ?
F20 P6 F19 179.3(6) . . ?
F21 P6 F19 87.9(7) . . ?
F22 P6 F19 90.0(7) . . ?
F20 P6 F24 89.7(6) . . ?
F21 P6 F24 92.3(5) . . ?
F22 P6 F24 89.8(5) . . ?
F19 P6 F24 90.7(6) . . ?
F20 P6 F23 89.8(6) . . ?
F21 P6 F23 87.5(5) . . ?
F22 P6 F23 90.4(5) . . ?
F19 P6 F23 89.7(5) . . ?
F24 P6 F23 179.5(7) . . ?

_refine_diff_density_max         1.459
_refine_diff_density_min         -1.340
_refine_diff_density_rms         0.161

####################################################################### 
# 
# 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_bph-cu4pt2
_database_code_depnum_ccdc_archive 'CCDC 2330688'
loop_
_audit_author_name
_audit_author_address
'Shang-Fu Yuan'
;Jinan University
China
;
_audit_update_record             
;
2024-02-03 deposited with the CCDC.	2024-04-23 downloaded from the CCDC.
;
_audit_creation_date             2022-11-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C124 H92 Cu4 N4 P4 Pt2, 2(F6 P), 2(C7 H8)'
_chemical_formula_sum            'C138 H106 Cu4 F12 N4 P6 Pt2'
_chemical_formula_weight         2878.42
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   24.0292(3)
_cell_length_b                   23.4432(3)
_cell_length_c                   20.9407(3)
_cell_angle_alpha                90
_cell_angle_beta                 90.2540(10)
_cell_angle_gamma                90
_cell_volume                     11796.2(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    14922
_cell_measurement_temperature    100.00(11)
_cell_measurement_theta_max      74.1960
_cell_measurement_theta_min      3.3590
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.480
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80752
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brownish-red
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5728
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_unetI/netI     0.0682
_diffrn_reflns_Laue_measured_fraction_full 0.945
_diffrn_reflns_Laue_measured_fraction_max 0.945
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            49189
_diffrn_reflns_point_group_measured_fraction_full 0.945
_diffrn_reflns_point_group_measured_fraction_max 0.945
_diffrn_reflns_theta_full        59.994
_diffrn_reflns_theta_max         59.994
_diffrn_reflns_theta_min         2.633
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(11)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.945
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -33.00  -8.00   1.00    5.00    --   -0.90 -30.00  15.00   25
  2  ω    -55.00 -30.00   1.00    5.00    --    0.90 -30.00  15.00   25
  3  ω     21.00  47.00   1.00    5.00    --    0.90  30.00 176.00   26
  4  ω    137.00 162.00   1.00   60.00    --  105.10  30.00 176.00   25
  5  ω     63.00  97.00   1.00   60.00    --  105.10 -30.00  15.00   34
  6  ω    -38.00  33.00   1.00    5.00    --   -0.90 -82.00  30.00   71
  7  ω    -10.00  39.00   1.00    5.00    --    0.90  82.00 -30.00   49
  8  ω     17.00  62.00   1.00   60.00    --  105.10 -57.00 -90.00   45
  9  ω     79.00 119.00   1.00   60.00    --  105.10 -57.00 -90.00   40
 10  ω     26.00 131.00   1.00   60.00    --  105.10 -57.00   0.00  105
 11  ω     82.00 194.00   1.00   60.00    --  105.10  82.00  30.00  112
 12  ω    -52.00 -27.00   1.00    5.00    --    0.90 -19.00 150.00   25
 13  ω     47.00  89.00   1.00    5.00    --    0.90  57.00 -30.00   42
 14  ω     81.00 107.00   1.00   60.00    --  105.10  57.00 150.00   26
 15  ω    140.00 178.00   1.00   60.00    --  105.10  57.00 150.00   38
 16  ω     91.00 129.00   1.00   60.00    --  105.10 -77.00-150.00   38
 17  ω     23.00  49.00   1.00   60.00    --  105.10 -77.00-150.00   26
 18  ω    -57.00 -32.00   1.00    5.00    --   -0.90 -30.00  15.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0025880000
_diffrn_orient_matrix_UB_12      -0.0590494000
_diffrn_orient_matrix_UB_13      -0.0321649000
_diffrn_orient_matrix_UB_21      0.0249249000
_diffrn_orient_matrix_UB_22      -0.0274383000
_diffrn_orient_matrix_UB_23      0.0604993000
_diffrn_orient_matrix_UB_31      -0.0590545000
_diffrn_orient_matrix_UB_32      -0.0088660000
_diffrn_orient_matrix_UB_33      0.0266703000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13140
_reflns_number_total             16568
_reflns_odcompleteness_completeness 92.73
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.083
_refine_diff_density_min         -1.293
_refine_diff_density_rms         0.152
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1473
_refine_ls_number_reflns         16568
_refine_ls_number_restraints     228
_refine_ls_R_factor_all          0.0752
_refine_ls_R_factor_gt           0.0584
_refine_ls_restrained_S_all      1.022
_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)+(0.0910P)²+39.6896P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1495
_refine_ls_wR_factor_ref         0.1577
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C121 \\sim C122 \\sim C123 \\sim C124 \\sim C125 \\sim C126: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002
C111 \\sim C112 \\sim C113 \\sim C114 \\sim C115 \\sim C116: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002
C321 \\sim C322 \\sim C323 \\sim C324 \\sim C325 \\sim C326: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002
C1S \\sim C2S \\sim C3S \\sim C4S \\sim C5S \\sim C6S \\sim C7S: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002
C8S \\sim C9S \\sim C10S \\sim C11S \\sim C12S \\sim C13S \\sim C14S: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002
P5 \\sim F1 \\sim F2 \\sim F3 \\sim F4 \\sim F5 \\sim F6: within 2A with sigma
of 0.001 and sigma for terminal atoms of 0.002
3.a Aromatic/amide H refined with riding coordinates:
 C235(H235), C434(H434), C435(H435), C234(H234), C22(H22), C232(H232), C8(H8),
 C433(H433), C47(H47), C413(H413), C21(H21), C7(H7), C10(H10), C46(H46),
 C316(H316), C335(H335), C50(H50), C14(H14), C426(H426), C432(H432), C416(H416),
  C11(H11), C334(H334), C32(H32), C422(H422), C412(H412), C4(H4), C5(H5),
 C49(H49), C12(H12), C36(H36), C222(H222), C332(H332), C425(H425), C415(H415),
 C52(H52), C135(H135), C333(H333), C33(H33), C55(H55), C233(H233), C56(H56),
 C315(H315), C116(H116), C423(H423), C38(H38), C13(H13), C326(H326), C424(H424),
  C53(H53), C216(H216), C115(H115), C35(H35), C134(H134), C54(H54), C19(H19),
 C414(H414), C223(H223), C325(H325), C132(H132), C215(H215), C226(H226),
 C312(H312), C28(H28), C25(H25), C224(H224), C212(H212), C42(H42), C322(H322),
 C24(H24), C18(H18), C114(H114), C133(H133), C313(H313), C26(H26), C39(H39),
 C314(H314), C214(H214), C41(H41), C225(H225), C213(H213), C27(H27), C40(H40),
 C10S(H10S), C11S(H11S), C12S(H12S), C13S(H13S), C14S(H14S), C324(H324),
 C112(H112), C323(H323), C124(H124), C126(H126), C122(H122), C3S(H3S), C4S(H4S),
  C5S(H5S), C6S(H6S), C7S(H7S), C113(H113), C123(H123), C125(H125)
3.b Fitted hexagon refined as free rotating group:
 C9S(C10S,C11S,C12S,C13S,C14S), C2S(C3S,C4S,C5S,C6S,C7S)
3.c Idealised Me refined as rotating group:
 C1S(H1SA,H1SB,H1SC), C8S(H8SA,H8SB,H8SC)
;
_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
Pt2 Pt 0.72830(2) 0.48689(2) 0.83667(2) 0.02513(12) Uani 1 1 d . . . . .
Pt1 Pt 0.76537(2) 0.49435(2) 0.64141(2) 0.02564(12) Uani 1 1 d . . . . .
Cu1 Cu 0.76915(5) 0.55968(5) 0.74804(5) 0.0263(3) Uani 1 1 d . . . . .
Cu3 Cu 0.72347(5) 0.42120(5) 0.72991(5) 0.0264(3) Uani 1 1 d . . . . .
Cu2 Cu 0.67147(5) 0.51936(5) 0.71959(5) 0.0270(3) Uani 1 1 d . . . . .
Cu4 Cu 0.82226(5) 0.46394(5) 0.75718(5) 0.0284(3) Uani 1 1 d . . . . .
P2 P 0.72547(9) 0.42197(9) 0.58058(10) 0.0273(5) Uani 1 1 d . . . . .
P4 P 0.71171(9) 0.39585(9) 0.87541(10) 0.0271(5) Uani 1 1 d . . . . .
P1 P 0.82040(9) 0.56821(10) 0.60491(11) 0.0315(5) Uani 1 1 d . . . . .
P3 P 0.72460(9) 0.57278(9) 0.89072(10) 0.0292(5) Uani 1 1 d . . . . .
P6 P 0.61605(9) 0.87867(10) 0.75647(12) 0.0359(5) Uani 1 1 d . . . . .
P5 P 0.89050(16) 0.10859(18) 0.7624(3) 0.1021(10) Uani 1 1 d . U . . .
F10 F 0.5770(2) 0.9004(2) 0.6995(3) 0.0462(13) Uani 1 1 d . . . . .
F9 F 0.6549(2) 0.8572(2) 0.8135(3) 0.0525(15) Uani 1 1 d . . . . .
F11 F 0.6555(2) 0.9331(2) 0.7463(3) 0.0484(14) Uani 1 1 d . . . . .
F8 F 0.6524(2) 0.8434(2) 0.7068(3) 0.0506(14) Uani 1 1 d . . . . .
F12 F 0.5765(2) 0.8242(2) 0.7659(3) 0.0505(14) Uani 1 1 d . . . . .
F7 F 0.5798(2) 0.9138(3) 0.8064(3) 0.0553(15) Uani 1 1 d . . . . .
N3 N 0.7197(3) 0.6269(3) 0.7784(3) 0.0285(16) Uani 1 1 d . . . . .
N4 N 0.7622(3) 0.3524(3) 0.7735(3) 0.0290(16) Uani 1 1 d . . . . .
N1 N 0.8461(3) 0.5923(3) 0.7283(3) 0.0294(16) Uani 1 1 d . . . . .
N2 N 0.6538(3) 0.4019(3) 0.6756(3) 0.0276(15) Uani 1 1 d . . . . .
C15 C 0.8353(3) 0.4532(4) 0.6660(4) 0.0291(19) Uani 1 1 d . . . . .
C29 C 0.8096(4) 0.4735(4) 0.8500(4) 0.034(2) Uani 1 1 d . . . . .
C235 C 0.6039(3) 0.3901(3) 0.7016(4) 0.0294(19) Uani 1 1 d . . . . .
H235 H 0.6010 0.3898 0.7459 0.035 Uiso 1 1 calc R . . . .
C434 C 0.8260(3) 0.2731(4) 0.7706(4) 0.032(2) Uani 1 1 d . . . . .
H434 H 0.8498 0.2501 0.7469 0.039 Uiso 1 1 calc R . . . .
C435 C 0.7964(3) 0.3175(4) 0.7415(4) 0.032(2) Uani 1 1 d . . . . .
H435 H 0.8006 0.3230 0.6978 0.038 Uiso 1 1 calc R . . . .
C43 C 0.6501(4) 0.5038(3) 0.8089(4) 0.0276(19) Uani 1 1 d . . . . .
C2 C 0.6461(3) 0.5572(4) 0.6295(4) 0.0282(19) Uani 1 1 d . . . . .
C16 C 0.8805(4) 0.4348(4) 0.6849(4) 0.035(2) Uani 1 1 d . . . . .
C234 C 0.5568(4) 0.3786(4) 0.6660(4) 0.035(2) Uani 1 1 d . . . . .
H234 H 0.5228 0.3721 0.6859 0.041 Uiso 1 1 calc R . . . .
F6 F 0.9224(3) 0.1685(3) 0.7578(5) 0.1001(14) Uani 1 1 d . U . . .
F5 F 0.8602(3) 0.0477(4) 0.7716(5) 0.1056(14) Uani 1 1 d . U . . .
C231 C 0.6572(3) 0.4017(3) 0.6115(4) 0.0299(19) Uani 1 1 d . . . . .
C22 C 0.9813(4) 0.4480(4) 0.7034(4) 0.038(2) Uani 1 1 d . . . . .
H22 H 0.9754 0.4869 0.7088 0.045 Uiso 1 1 calc R . . . .
C31 C 0.9180(3) 0.4492(4) 0.8606(4) 0.0301(19) Uani 1 1 d . . . . .
C1 C 0.6932(4) 0.5359(4) 0.6311(4) 0.031(2) Uani 1 1 d . . . . .
C431 C 0.7577(3) 0.3441(4) 0.8374(4) 0.0278(19) Uani 1 1 d . . . . .
C232 C 0.6121(4) 0.3881(4) 0.5731(4) 0.033(2) Uani 1 1 d . . . . .
H232 H 0.6161 0.3865 0.5290 0.040 Uiso 1 1 calc R . . . .
C17 C 0.9358(4) 0.4116(4) 0.6917(4) 0.034(2) Uani 1 1 d . . . . .
C3 C 0.5937(3) 0.5838(4) 0.6167(4) 0.0298(19) Uani 1 1 d . . . . .
C8 C 0.5442(4) 0.5519(4) 0.6116(4) 0.035(2) Uani 1 1 d . . . . .
H8 H 0.5454 0.5125 0.6169 0.042 Uiso 1 1 calc R . . . .
C433 C 0.8195(4) 0.2640(4) 0.8349(4) 0.034(2) Uani 1 1 d . . . . .
H433 H 0.8378 0.2341 0.8553 0.040 Uiso 1 1 calc R . . . .
C47 C 0.4505(3) 0.5369(4) 0.7843(4) 0.0317(19) Uani 1 1 d . . . . .
H47 H 0.4193 0.5140 0.7896 0.038 Uiso 1 1 calc R . . . .
C413 C 0.7950(4) 0.4077(4) 1.0453(5) 0.044(2) Uani 1 1 d . . . . .
H413 H 0.8317 0.4128 1.0583 0.053 Uiso 1 1 calc R . . . .
C45 C 0.5507(3) 0.5465(4) 0.7802(4) 0.0276(18) Uani 1 1 d . . . . .
C21 C 1.0345(4) 0.4262(4) 0.7070(4) 0.041(2) Uani 1 1 d . . . . .
H21 H 1.0641 0.4507 0.7156 0.049 Uiso 1 1 calc R . . . .
C7 C 0.4938(4) 0.5781(4) 0.5990(4) 0.033(2) Uani 1 1 d . . . . .
H7 H 0.4618 0.5560 0.5953 0.039 Uiso 1 1 calc R . . . .
C10 C 0.3874(3) 0.6473(4) 0.6036(4) 0.033(2) Uani 1 1 d . . . . .
H10 H 0.3876 0.6162 0.6311 0.039 Uiso 1 1 calc R . . . .
C30 C 0.8600(3) 0.4620(4) 0.8511(4) 0.0302(19) Uani 1 1 d . . . . .
C6 C 0.4901(3) 0.6367(4) 0.5916(4) 0.032(2) Uani 1 1 d . . . . .
C46 C 0.5028(4) 0.5128(4) 0.7877(4) 0.031(2) Uani 1 1 d . . . . .
H46 H 0.5063 0.4738 0.7951 0.037 Uiso 1 1 calc R . . . .
C421 C 0.6428(3) 0.3653(3) 0.8645(4) 0.0281(19) Uani 1 1 d . . . . .
C316 C 0.8241(4) 0.5669(5) 0.9562(4) 0.041(2) Uani 1 1 d . . . . .
H316 H 0.8141 0.5291 0.9627 0.049 Uiso 1 1 calc R . . . .
C335 C 0.7061(4) 0.6675(3) 0.7364(4) 0.032(2) Uani 1 1 d . . . . .
H335 H 0.7215 0.6662 0.6957 0.039 Uiso 1 1 calc R . . . .
C50 C 0.5444(3) 0.6032(3) 0.7669(4) 0.0279(18) Uani 1 1 d . . . . .
H50 H 0.5758 0.6255 0.7601 0.034 Uiso 1 1 calc R . . . .
C44 C 0.6057(3) 0.5215(4) 0.7880(4) 0.0291(19) Uani 1 1 d . . . . .
C14 C 0.4355(4) 0.7118(4) 0.5351(4) 0.034(2) Uani 1 1 d . . . . .
H14 H 0.4682 0.7249 0.5167 0.040 Uiso 1 1 calc R . . . .
C9 C 0.4369(4) 0.6655(4) 0.5770(4) 0.0295(19) Uani 1 1 d . . . . .
C321 C 0.6769(5) 0.5687(6) 0.9595(5) 0.0587(13) Uani 1 1 d . U . . .
C48 C 0.4436(3) 0.5951(4) 0.7731(4) 0.0277(18) Uani 1 1 d . . . . .
C426 C 0.6340(3) 0.3113(4) 0.8380(4) 0.0310(19) Uani 1 1 d . . . . .
H426 H 0.6644 0.2889 0.8269 0.037 Uiso 1 1 calc R . . . .
C411 C 0.7272(4) 0.3928(4) 0.9611(4) 0.034(2) Uani 1 1 d . . . . .
C432 C 0.7849(3) 0.3004(4) 0.8688(4) 0.032(2) Uani 1 1 d . . . . .
H432 H 0.7801 0.2953 0.9125 0.039 Uiso 1 1 calc R . . . .
C416 C 0.6862(4) 0.3890(4) 1.0068(4) 0.035(2) Uani 1 1 d . . . . .
H416 H 0.6497 0.3818 0.9945 0.042 Uiso 1 1 calc R . . . .
C11 C 0.3377(4) 0.6743(4) 0.5900(5) 0.043(2) Uani 1 1 d . . . . .
H11 H 0.3050 0.6617 0.6090 0.051 Uiso 1 1 calc R . . . .
C334 C 0.6700(4) 0.7113(4) 0.7513(4) 0.035(2) Uani 1 1 d . . . . .
H334 H 0.6601 0.7383 0.7207 0.042 Uiso 1 1 calc R . . . .
C32 C 0.9382(4) 0.3942(4) 0.8484(4) 0.036(2) Uani 1 1 d . . . . .
H32 H 0.9133 0.3651 0.8387 0.043 Uiso 1 1 calc R . . . .
F4 F 0.8461(3) 0.1338(3) 0.8096(5) 0.1025(14) Uani 1 1 d . U . . .
C422 C 0.5969(3) 0.3980(4) 0.8828(4) 0.033(2) Uani 1 1 d . . . . .
H422 H 0.6017 0.4337 0.9013 0.039 Uiso 1 1 calc R . . . .
C412 C 0.7832(4) 0.4015(4) 0.9809(5) 0.047(3) Uani 1 1 d . . . . .
H412 H 0.8117 0.4031 0.9510 0.057 Uiso 1 1 calc R . . . .
C4 C 0.5902(4) 0.6424(4) 0.6095(4) 0.033(2) Uani 1 1 d . . . . .
H4 H 0.6222 0.6645 0.6128 0.039 Uiso 1 1 calc R . . . .
C5 C 0.5395(4) 0.6684(4) 0.5973(4) 0.0308(19) Uani 1 1 d . . . . .
H5 H 0.5381 0.7079 0.5928 0.037 Uiso 1 1 calc R . . . .
C49 C 0.4917(3) 0.6283(4) 0.7634(4) 0.0308(19) Uani 1 1 d . . . . .
H49 H 0.4883 0.6671 0.7546 0.037 Uiso 1 1 calc R . . . .
C12 C 0.3364(4) 0.7198(4) 0.5487(5) 0.043(2) Uani 1 1 d . . . . .
H12 H 0.3029 0.7380 0.5395 0.052 Uiso 1 1 calc R . . . .
C131 C 0.8649(3) 0.5983(4) 0.6676(4) 0.034(2) Uani 1 1 d . . . . .
C36 C 0.9568(4) 0.4909(4) 0.8784(5) 0.042(2) Uani 1 1 d . . . . .
H36 H 0.9449 0.5276 0.8884 0.050 Uiso 1 1 calc R . . . .
C311 C 0.7891(4) 0.6022(4) 0.9226(4) 0.034(2) Uani 1 1 d . . . . .
C221 C 0.7625(3) 0.3543(4) 0.5746(4) 0.0275(19) Uani 1 1 d . . . . .
C222 C 0.7354(4) 0.3023(4) 0.5844(4) 0.032(2) Uani 1 1 d . . . . .
H222 H 0.6974 0.3012 0.5926 0.039 Uiso 1 1 calc R . . . .
C332 C 0.6629(4) 0.6736(4) 0.8562(4) 0.035(2) Uani 1 1 d . . . . .
H332 H 0.6490 0.6750 0.8976 0.042 Uiso 1 1 calc R . . . .
C425 C 0.5809(4) 0.2910(4) 0.8282(4) 0.036(2) Uani 1 1 d . . . . .
H425 H 0.5760 0.2551 0.8102 0.043 Uiso 1 1 calc R . . . .
C415 C 0.6995(4) 0.3960(4) 1.0720(5) 0.043(2) Uani 1 1 d . . . . .
H415 H 0.6716 0.3937 1.1025 0.051 Uiso 1 1 calc R . . . .
C52 C 0.3800(4) 0.6791(4) 0.7872(4) 0.038(2) Uani 1 1 d . . . . .
H52 H 0.4103 0.7012 0.7994 0.046 Uiso 1 1 calc R . . . .
C135 C 0.8799(4) 0.6086(4) 0.7768(5) 0.038(2) Uani 1 1 d . . . . .
H135 H 0.8681 0.6029 0.8186 0.046 Uiso 1 1 calc R . . . .
C34 C 1.0332(4) 0.4245(4) 0.8652(4) 0.036(2) Uani 1 1 d . . . . .
C211 C 0.7137(4) 0.4473(4) 0.4993(4) 0.037(2) Uani 1 1 d . . . . .
C333 C 0.6488(4) 0.7144(4) 0.8126(5) 0.038(2) Uani 1 1 d . . . . .
H333 H 0.6251 0.7441 0.8240 0.046 Uiso 1 1 calc R . . . .
C33 C 0.9939(4) 0.3826(4) 0.8506(4) 0.041(2) Uani 1 1 d . . . . .
H33 H 1.0060 0.3457 0.8422 0.049 Uiso 1 1 calc R . . . .
C55 C 0.2888(4) 0.6152(4) 0.7510(4) 0.040(2) Uani 1 1 d . . . . .
H55 H 0.2582 0.5934 0.7390 0.048 Uiso 1 1 calc R . . . .
C233 C 0.5610(4) 0.3769(4) 0.6005(5) 0.038(2) Uani 1 1 d . . . . .
H233 H 0.5302 0.3684 0.5753 0.046 Uiso 1 1 calc R . . . .
C56 C 0.3419(3) 0.5908(4) 0.7530(4) 0.034(2) Uani 1 1 d . . . . .
H56 H 0.3460 0.5526 0.7419 0.041 Uiso 1 1 calc R . . . .
C315 C 0.8750(4) 0.5871(5) 0.9810(4) 0.045(3) Uani 1 1 d . . . . .
H315 H 0.8986 0.5631 1.0038 0.055 Uiso 1 1 calc R . . . .
C116 C 0.7465(4) 0.6151(4) 0.5188(5) 0.0504(11) Uani 1 1 d . U . . .
H116 H 0.7371 0.5772 0.5111 0.060 Uiso 1 1 calc R . . . .
C423 C 0.5427(4) 0.3755(4) 0.8724(4) 0.038(2) Uani 1 1 d . . . . .
H423 H 0.5117 0.3966 0.8846 0.045 Uiso 1 1 calc R . . . .
C331 C 0.6988(3) 0.6293(4) 0.8378(4) 0.0282(18) Uani 1 1 d . . . . .
C121 C 0.8694(6) 0.5434(7) 0.5432(7) 0.0825(17) Uani 1 1 d . U . . .
C51 C 0.3884(3) 0.6218(4) 0.7712(4) 0.0285(19) Uani 1 1 d . . . . .
C38 C 1.1155(5) 0.3568(5) 0.8648(5) 0.055(3) Uani 1 1 d . . . . .
H38 H 1.0919 0.3266 0.8744 0.066 Uiso 1 1 calc R . . . .
C37 C 1.0933(4) 0.4116(5) 0.8598(4) 0.042(2) Uani 1 1 d . . . . .
C13 C 0.3853(4) 0.7382(4) 0.5209(5) 0.042(2) Uani 1 1 d . . . . .
H13 H 0.3845 0.7686 0.4923 0.050 Uiso 1 1 calc R . . . .
C326 C 0.6220(5) 0.5531(5) 0.9491(5) 0.0588(13) Uani 1 1 d . U . . .
H326 H 0.6079 0.5524 0.9077 0.071 Uiso 1 1 calc R . . . .
C424 C 0.5355(4) 0.3225(4) 0.8442(5) 0.038(2) Uani 1 1 d . . . . .
H424 H 0.4999 0.3086 0.8363 0.046 Uiso 1 1 calc R . . . .
C53 C 0.3273(4) 0.7036(4) 0.7854(5) 0.045(2) Uani 1 1 d . . . . .
H53 H 0.3227 0.7417 0.7966 0.054 Uiso 1 1 calc R . . . .
C216 C 0.6687(5) 0.4845(4) 0.4860(5) 0.047(3) Uani 1 1 d . . . . .
H216 H 0.6425 0.4924 0.5173 0.057 Uiso 1 1 calc R . . . .
C115 C 0.7221(4) 0.6570(4) 0.4835(5) 0.0510(11) Uani 1 1 d . U . . .
H115 H 0.6970 0.6475 0.4512 0.061 Uiso 1 1 calc R . . . .
C35 C 1.0128(4) 0.4775(5) 0.8809(5) 0.045(2) Uani 1 1 d . . . . .
H35 H 1.0378 0.5056 0.8938 0.054 Uiso 1 1 calc R . . . .
F2 F 0.9300(3) 0.0913(4) 0.8211(5) 0.1077(14) Uani 1 1 d . U . . .
C111 C 0.7856(4) 0.6281(4) 0.5666(5) 0.0505(11) Uani 1 1 d . U . . .
F3 F 0.9361(3) 0.0817(4) 0.7198(5) 0.1070(14) Uani 1 1 d . U . . .
C134 C 0.9316(4) 0.6335(5) 0.7665(5) 0.048(3) Uani 1 1 d . . . . .
H134 H 0.9536 0.6442 0.8012 0.057 Uiso 1 1 calc R . . . .
C54 C 0.2821(4) 0.6718(5) 0.7669(5) 0.045(2) Uani 1 1 d . . . . .
H54 H 0.2469 0.6883 0.7652 0.054 Uiso 1 1 calc R . . . .
C19 C 0.9991(4) 0.3320(4) 0.6883(5) 0.044(2) Uani 1 1 d . . . . .
H19 H 1.0047 0.2929 0.6844 0.053 Uiso 1 1 calc R . . . .
C414 C 0.7533(4) 0.4062(4) 1.0906(5) 0.043(2) Uani 1 1 d . . . . .
H414 H 0.7617 0.4122 1.1335 0.052 Uiso 1 1 calc R . . . .
C223 C 0.7664(4) 0.2519(4) 0.5818(5) 0.046(2) Uani 1 1 d . . . . .
H223 H 0.7488 0.2173 0.5890 0.055 Uiso 1 1 calc R . . . .
C325 C 0.5879(5) 0.5385(5) 0.9995(5) 0.0591(13) Uani 1 1 d . U . . .
H325 H 0.5510 0.5284 0.9919 0.071 Uiso 1 1 calc R . . . .
C132 C 0.9158(4) 0.6253(5) 0.6555(5) 0.051(3) Uani 1 1 d . . . . .
H132 H 0.9269 0.6319 0.6136 0.061 Uiso 1 1 calc R . . . .
C20 C 1.0450(4) 0.3674(4) 0.6977(5) 0.042(2) Uani 1 1 d . . . . .
C215 C 0.6640(6) 0.5095(5) 0.4257(6) 0.063(4) Uani 1 1 d . . . . .
H215 H 0.6337 0.5327 0.4162 0.076 Uiso 1 1 calc R . . . .
C226 C 0.8195(4) 0.3552(4) 0.5615(4) 0.040(2) Uani 1 1 d . . . . .
H226 H 0.8376 0.3897 0.5546 0.049 Uiso 1 1 calc R . . . .
C312 C 0.8037(4) 0.6589(5) 0.9135(5) 0.046(2) Uani 1 1 d . . . . .
H312 H 0.7796 0.6833 0.8918 0.055 Uiso 1 1 calc R . . . .
C28 C 1.1477(4) 0.3785(5) 0.6804(5) 0.051(3) Uani 1 1 d . . . . .
H28 H 1.1419 0.4166 0.6700 0.062 Uiso 1 1 calc R . . . .
C25 C 1.1682(5) 0.2669(5) 0.7121(7) 0.071(4) Uani 1 1 d . . . . .
H25 H 1.1753 0.2292 0.7231 0.086 Uiso 1 1 calc R . . . .
C224 C 0.8219(4) 0.2525(5) 0.5687(5) 0.053(3) Uani 1 1 d . . . . .
H224 H 0.8417 0.2185 0.5663 0.063 Uiso 1 1 calc R . . . .
C212 C 0.7528(5) 0.4371(5) 0.4521(5) 0.050(3) Uani 1 1 d . . . . .
H212 H 0.7826 0.4127 0.4599 0.060 Uiso 1 1 calc R . . . .
C42 C 1.1308(4) 0.4562(5) 0.8467(5) 0.055(3) Uani 1 1 d . . . . .
H42 H 1.1179 0.4935 0.8435 0.067 Uiso 1 1 calc R . . . .
C322 C 0.6964(5) 0.5694(5) 1.0206(5) 0.0595(13) Uani 1 1 d . U . . .
H322 H 0.7329 0.5802 1.0290 0.071 Uiso 1 1 calc R . . . .
C24 C 1.1125(5) 0.2877(5) 0.7144(6) 0.056(3) Uani 1 1 d . . . . .
H24 H 1.0836 0.2640 0.7269 0.067 Uiso 1 1 calc R . . . .
C18 C 0.9457(4) 0.3531(4) 0.6848(5) 0.044(2) Uani 1 1 d . . . . .
H18 H 0.9160 0.3284 0.6777 0.053 Uiso 1 1 calc R . . . .
C114 C 0.7341(5) 0.7127(4) 0.4954(5) 0.0517(11) Uani 1 1 d . U . . .
H114 H 0.7169 0.7413 0.4716 0.062 Uiso 1 1 calc R . . . .
C23 C 1.1022(4) 0.3441(4) 0.6975(5) 0.045(2) Uani 1 1 d . . . . .
C133 C 0.9500(4) 0.6422(5) 0.7063(6) 0.054(3) Uani 1 1 d . . . . .
H133 H 0.9845 0.6591 0.6989 0.065 Uiso 1 1 calc R . . . .
C313 C 0.8542(4) 0.6792(5) 0.9367(5) 0.055(3) Uani 1 1 d . . . . .
H313 H 0.8646 0.7168 0.9295 0.065 Uiso 1 1 calc R . . . .
C26 C 1.2115(5) 0.3012(6) 0.6941(6) 0.064(3) Uani 1 1 d . . . . .
H26 H 1.2476 0.2870 0.6924 0.077 Uiso 1 1 calc R . . . .
C39 C 1.1706(5) 0.3460(7) 0.8560(6) 0.071(4) Uani 1 1 d . . . . .
H39 H 1.1839 0.3088 0.8586 0.085 Uiso 1 1 calc R . . . .
C314 C 0.8889(4) 0.6430(5) 0.9706(5) 0.056(3) Uani 1 1 d . . . . .
H314 H 0.9224 0.6570 0.9867 0.067 Uiso 1 1 calc R . . . .
C214 C 0.7044(8) 0.4997(6) 0.3799(6) 0.082(5) Uani 1 1 d . . . . .
H214 H 0.7019 0.5178 0.3405 0.098 Uiso 1 1 calc R . . . .
C41 C 1.1877(5) 0.4445(6) 0.8384(6) 0.066(3) Uani 1 1 d . . . . .
H41 H 1.2123 0.4741 0.8295 0.080 Uiso 1 1 calc R . . . .
C225 C 0.8486(4) 0.3044(5) 0.5590(5) 0.055(3) Uani 1 1 d . . . . .
H225 H 0.8866 0.3050 0.5506 0.066 Uiso 1 1 calc R . . . .
C213 C 0.7472(6) 0.4641(6) 0.3923(5) 0.063(3) Uani 1 1 d . . . . .
H213 H 0.7734 0.4572 0.3607 0.076 Uiso 1 1 calc R . . . .
C27 C 1.2008(5) 0.3562(6) 0.6789(6) 0.064(3) Uani 1 1 d . . . . .
H27 H 1.2301 0.3798 0.6672 0.077 Uiso 1 1 calc R . . . .
C40 C 1.2066(5) 0.3904(6) 0.8434(6) 0.066(3) Uani 1 1 d . . . . .
H40 H 1.2444 0.3829 0.8382 0.079 Uiso 1 1 calc R . . . .
C9S C 0.5791(4) 0.7167(4) 0.9992(4) 0.0810(15) Uani 1 1 d . U . . .
C10S C 0.5389(4) 0.6770(3) 0.9815(4) 0.0813(16) Uani 1 1 d G U . . .
H10S H 0.5346 0.6437 1.0051 0.098 Uiso 1 1 calc R . . . .
C11S C 0.5051(3) 0.6872(3) 0.9287(4) 0.0812(16) Uani 1 1 d G U . . .
H11S H 0.4782 0.6606 0.9169 0.097 Uiso 1 1 calc R . . . .
C12S C 0.5115(3) 0.7370(4) 0.8935(4) 0.0807(16) Uani 1 1 d G U . . .
H12S H 0.4889 0.7438 0.8582 0.097 Uiso 1 1 calc R . . . .
C13S C 0.5517(4) 0.7767(3) 0.9112(4) 0.0803(16) Uani 1 1 d G U . . .
H13S H 0.5560 0.8100 0.8877 0.096 Uiso 1 1 calc R . . . .
C14S C 0.5855(3) 0.7665(3) 0.9640(4) 0.0804(16) Uani 1 1 d G U . . .
H14S H 0.6124 0.7931 0.9759 0.096 Uiso 1 1 calc R . . . .
C324 C 0.6080(5) 0.5390(6) 1.0600(5) 0.0596(13) Uani 1 1 d . U . . .
H324 H 0.5849 0.5290 1.0937 0.072 Uiso 1 1 calc R . . . .
F1 F 0.8499(3) 0.1261(4) 0.7081(5) 0.1098(14) Uani 1 1 d . U . . .
C112 C 0.7973(5) 0.6836(4) 0.5788(5) 0.0514(11) Uani 1 1 d . U . . .
H112 H 0.8222 0.6932 0.6112 0.062 Uiso 1 1 calc R . . . .
C323 C 0.6606(5) 0.5535(5) 1.0716(5) 0.0600(13) Uani 1 1 d . U . . .
H323 H 0.6741 0.5533 1.1133 0.072 Uiso 1 1 calc R . . . .
C124 C 0.9262(6) 0.4743(7) 0.4653(7) 0.0835(17) Uani 1 1 d . U . . .
H124 H 0.9465 0.4508 0.4382 0.100 Uiso 1 1 calc R . . . .
C126 C 0.8546(6) 0.5382(7) 0.4813(7) 0.0830(17) Uani 1 1 d . U . . .
H126 H 0.8238 0.5582 0.4662 0.100 Uiso 1 1 calc R . . . .
C122 C 0.9120(6) 0.5071(6) 0.5635(8) 0.0831(17) Uani 1 1 d . U . . .
H122 H 0.9204 0.5051 0.6068 0.100 Uiso 1 1 calc R . . . .
C2S C 1.0358(4) 0.7927(4) 0.4923(5) 0.0956(18) Uani 1 1 d . U . . .
C3S C 1.0565(4) 0.7686(5) 0.5482(5) 0.0957(19) Uani 1 1 d G U . . .
H3S H 1.0804 0.7894 0.5744 0.115 Uiso 1 1 calc R . . . .
C4S C 1.0416(4) 0.7133(5) 0.5649(4) 0.0959(19) Uani 1 1 d G U . . .
H4S H 1.0554 0.6971 0.6023 0.115 Uiso 1 1 calc R . . . .
C5S C 1.0059(4) 0.6822(4) 0.5258(5) 0.0959(19) Uani 1 1 d G U . . .
H5S H 0.9959 0.6452 0.5370 0.115 Uiso 1 1 calc R . . . .
C6S C 0.9852(4) 0.7063(5) 0.4699(5) 0.0959(19) Uani 1 1 d G U . . .
H6S H 0.9613 0.6855 0.4437 0.115 Uiso 1 1 calc R . . . .
C7S C 1.0001(4) 0.7616(5) 0.4532(4) 0.0957(19) Uani 1 1 d G U . . .
H7S H 0.9863 0.7778 0.4158 0.115 Uiso 1 1 calc R . . . .
C113 C 0.7717(4) 0.7267(5) 0.5424(5) 0.0520(11) Uani 1 1 d . U . . .
H113 H 0.7802 0.7648 0.5502 0.062 Uiso 1 1 calc R . . . .
C1S C 1.0519(6) 0.8532(7) 0.4743(8) 0.096(2) Uani 1 1 d . U . . .
H1SA H 1.0274 0.8796 0.4952 0.144 Uiso 1 1 calc GR . . . .
H1SB H 1.0488 0.8578 0.4289 0.144 Uiso 1 1 calc GR . . . .
H1SC H 1.0895 0.8604 0.4875 0.144 Uiso 1 1 calc GR . . . .
C123 C 0.9414(6) 0.4748(7) 0.5224(7) 0.0834(17) Uani 1 1 d . U . . .
H123 H 0.9719 0.4537 0.5361 0.100 Uiso 1 1 calc R . . . .
C125 C 0.8847(6) 0.5032(6) 0.4388(8) 0.0834(17) Uani 1 1 d . U . . .
H125 H 0.8760 0.5006 0.3955 0.100 Uiso 1 1 calc R . . . .
C8S C 0.6080(6) 0.6974(6) 1.0550(7) 0.0841(18) Uani 1 1 d . U . . .
H8SA H 0.5817 0.6830 1.0854 0.126 Uiso 1 1 calc GR . . . .
H8SB H 0.6283 0.7286 1.0736 0.126 Uiso 1 1 calc GR . . . .
H8SC H 0.6335 0.6676 1.0435 0.126 Uiso 1 1 calc GR . . . .


_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
Pt2 Cu1 2.7087(12) . ?
Pt2 Cu3 2.7168(12) . ?
Pt2 Cu2 2.9028(12) . ?
Pt2 Cu4 2.8619(12) . ?
Pt2 P4 2.318(2) . ?
Pt2 P3 2.312(2) . ?
Pt2 C29 1.996(10) . ?
Pt2 C43 2.005(9) . ?
Pt1 Cu1 2.7088(12) . ?
Pt1 Cu3 2.7212(12) . ?
Pt1 Cu2 2.8545(12) . ?
Pt1 Cu4 2.8678(12) . ?
Pt1 P2 2.326(2) . ?
Pt1 P1 2.311(2) . ?
Pt1 C15 2.003(9) . ?
Pt1 C1 2.000(9) . ?
Cu1 Cu2 2.5973(16) . ?
Cu1 Cu4 2.5886(16) . ?
Cu1 N3 2.075(7) . ?
Cu1 N1 2.045(7) . ?
Cu3 Cu2 2.6270(16) . ?
Cu3 Cu4 2.6368(16) . ?
Cu3 N4 2.072(7) . ?
Cu3 N2 2.069(7) . ?
Cu2 C43 1.977(8) . ?
Cu2 C2 2.169(8) . ?
Cu2 C1 1.966(8) . ?
Cu2 C44 2.138(9) . ?
Cu4 C15 1.952(8) . ?
Cu4 C29 1.982(9) . ?
Cu4 C16 2.175(9) . ?
Cu4 C30 2.162(8) . ?
P2 C231 1.829(9) . ?
P2 C221 1.823(9) . ?
P2 C211 1.823(9) . ?
P4 C431 1.826(9) . ?
P4 C421 1.818(8) . ?
P4 C411 1.832(8) . ?
P1 C131 1.831(9) . ?
P1 C121 1.847(14) . ?
P1 C111 1.818(10) . ?
P3 C321 1.847(11) . ?
P3 C311 1.822(9) . ?
P3 C331 1.834(9) . ?
P6 F10 1.598(5) . ?
P6 F9 1.595(6) . ?
P6 F11 1.605(6) . ?
P6 F8 1.593(6) . ?
P6 F12 1.605(6) . ?
P6 F7 1.593(6) . ?
P5 F6 1.603(9) . ?
P5 F5 1.614(9) . ?
P5 F4 1.573(10) . ?
P5 F2 1.602(11) . ?
P5 F3 1.549(10) . ?
P5 F1 1.550(11) . ?
N3 C335 1.335(11) . ?
N3 C331 1.346(11) . ?
N4 C435 1.342(11) . ?
N4 C431 1.356(11) . ?
N1 C131 1.359(11) . ?
N1 C135 1.352(11) . ?
N2 C235 1.349(11) . ?
N2 C231 1.344(11) . ?
C15 C16 1.231(12) . ?
C29 C30 1.241(12) . ?
C235 H235 0.9300 . ?
C235 C234 1.379(12) . ?
C434 H434 0.9300 . ?
C434 C435 1.399(12) . ?
C434 C433 1.372(13) . ?
C435 H435 0.9300 . ?
C43 C44 1.224(12) . ?
C2 C1 1.238(12) . ?
C2 C3 1.428(11) . ?
C16 C17 1.443(12) . ?
C234 H234 0.9300 . ?
C234 C233 1.376(13) . ?
C231 C232 1.385(12) . ?
C22 H22 0.9300 . ?
C22 C17 1.407(13) . ?
C22 C21 1.379(13) . ?
C31 C30 1.440(12) . ?
C31 C32 1.402(13) . ?
C31 C36 1.400(13) . ?
C431 C432 1.381(12) . ?
C232 H232 0.9300 . ?
C232 C233 1.383(13) . ?
C17 C18 1.398(13) . ?
C3 C8 1.410(12) . ?
C3 C4 1.385(12) . ?
C8 H8 0.9300 . ?
C8 C7 1.381(12) . ?
C433 H433 0.9300 . ?
C433 C432 1.388(13) . ?
C47 H47 0.9300 . ?
C47 C46 1.378(12) . ?
C47 C48 1.394(12) . ?
C413 H413 0.9300 . ?
C413 C412 1.383(14) . ?
C413 C414 1.386(14) . ?
C45 C46 1.407(12) . ?
C45 C50 1.366(12) . ?
C45 C44 1.454(11) . ?
C21 H21 0.9300 . ?
C21 C20 1.416(14) . ?
C7 H7 0.9300 . ?
C7 C6 1.386(12) . ?
C10 H10 0.9300 . ?
C10 C9 1.384(13) . ?
C10 C11 1.379(13) . ?
C6 C9 1.477(12) . ?
C6 C5 1.405(12) . ?
C46 H46 0.9300 . ?
C421 C426 1.397(12) . ?
C421 C422 1.397(12) . ?
C316 H316 0.9300 . ?
C316 C311 1.372(13) . ?
C316 C315 1.407(13) . ?
C335 H335 0.9300 . ?
C335 C334 1.382(12) . ?
C50 H50 0.9300 . ?
C50 C49 1.399(12) . ?
C14 H14 0.9300 . ?
C14 C9 1.395(13) . ?
C14 C13 1.387(13) . ?
C321 C326 1.385(16) . ?
C321 C322 1.361(16) . ?
C48 C49 1.408(12) . ?
C48 C51 1.467(12) . ?
C426 H426 0.9300 . ?
C426 C425 1.376(12) . ?
C411 C416 1.379(13) . ?
C411 C412 1.422(13) . ?
C432 H432 0.9300 . ?
C416 H416 0.9300 . ?
C416 C415 1.410(13) . ?
C11 H11 0.9300 . ?
C11 C12 1.374(15) . ?
C334 H334 0.9300 . ?
C334 C333 1.385(13) . ?
C32 H32 0.9300 . ?
C32 C33 1.367(13) . ?
C422 H422 0.9300 . ?
C422 C423 1.421(12) . ?
C412 H412 0.9300 . ?
C4 H4 0.9300 . ?
C4 C5 1.386(12) . ?
C5 H5 0.9300 . ?
C49 H49 0.9300 . ?
C12 H12 0.9300 . ?
C12 C13 1.383(15) . ?
C131 C132 1.401(13) . ?
C36 H36 0.9300 . ?
C36 C35 1.383(13) . ?
C311 C312 1.386(14) . ?
C221 C222 1.397(12) . ?
C221 C226 1.399(13) . ?
C222 H222 0.9300 . ?
C222 C223 1.397(13) . ?
C332 H332 0.9300 . ?
C332 C333 1.366(13) . ?
C332 C331 1.404(12) . ?
C425 H425 0.9300 . ?
C425 C424 1.361(13) . ?
C415 H415 0.9300 . ?
C415 C414 1.368(14) . ?
C52 H52 0.9300 . ?
C52 C51 1.399(13) . ?
C52 C53 1.391(13) . ?
C135 H135 0.9300 . ?
C135 C134 1.390(13) . ?
C34 C33 1.395(14) . ?
C34 C37 1.480(13) . ?
C34 C35 1.376(14) . ?
C211 C216 1.415(14) . ?
C211 C212 1.388(14) . ?
C333 H333 0.9300 . ?
C33 H33 0.9300 . ?
C55 H55 0.9300 . ?
C55 C56 1.398(12) . ?
C55 C54 1.377(14) . ?
C233 H233 0.9300 . ?
C56 H56 0.9300 . ?
C56 C51 1.387(12) . ?
C315 H315 0.9300 . ?
C315 C314 1.372(16) . ?
C116 H116 0.9300 . ?
C116 C115 1.361(14) . ?
C116 C111 1.405(15) . ?
C423 H423 0.9300 . ?
C423 C424 1.386(14) . ?
C121 C126 1.35(2) . ?
C121 C122 1.395(19) . ?
C38 H38 0.9300 . ?
C38 C37 1.396(15) . ?
C38 C39 1.360(16) . ?
C37 C42 1.409(16) . ?
C13 H13 0.9300 . ?
C326 H326 0.9300 . ?
C326 C325 1.383(15) . ?
C424 H424 0.9300 . ?
C53 H53 0.9300 . ?
C53 C54 1.373(15) . ?
C216 H216 0.9300 . ?
C216 C215 1.397(15) . ?
C115 H115 0.9300 . ?
C115 C114 1.360(14) . ?
C35 H35 0.9300 . ?
C111 C112 1.355(14) . ?
C134 H134 0.9300 . ?
C134 C133 1.354(15) . ?
C54 H54 0.9300 . ?
C19 H19 0.9300 . ?
C19 C20 1.392(14) . ?
C19 C18 1.379(13) . ?
C414 H414 0.9300 . ?
C223 H223 0.9300 . ?
C223 C224 1.361(15) . ?
C325 H325 0.9300 . ?
C325 C324 1.353(15) . ?
C132 H132 0.9300 . ?
C132 C133 1.400(15) . ?
C20 C23 1.481(13) . ?
C215 H215 0.9300 . ?
C215 C214 1.39(2) . ?
C226 H226 0.9300 . ?
C226 C225 1.382(14) . ?
C312 H312 0.9300 . ?
C312 C313 1.390(14) . ?
C28 H28 0.9300 . ?
C28 C23 1.406(15) . ?
C28 C27 1.379(14) . ?
C25 H25 0.9300 . ?
C25 C24 1.425(15) . ?
C25 C26 1.369(18) . ?
C224 H224 0.9300 . ?
C224 C225 1.392(17) . ?
C212 H212 0.9300 . ?
C212 C213 1.409(15) . ?
C42 H42 0.9300 . ?
C42 C41 1.405(16) . ?
C322 H322 0.9300 . ?
C322 C323 1.423(15) . ?
C24 H24 0.9300 . ?
C24 C23 1.389(15) . ?
C18 H18 0.9300 . ?
C114 H114 0.9300 . ?
C114 C113 1.373(15) . ?
C133 H133 0.9300 . ?
C313 H313 0.9300 . ?
C313 C314 1.382(16) . ?
C26 H26 0.9300 . ?
C26 C27 1.353(17) . ?
C39 H39 0.9300 . ?
C39 C40 1.380(19) . ?
C314 H314 0.9300 . ?
C214 H214 0.9300 . ?
C214 C213 1.35(2) . ?
C41 H41 0.9300 . ?
C41 C40 1.354(18) . ?
C225 H225 0.9300 . ?
C213 H213 0.9300 . ?
C27 H27 0.9300 . ?
C40 H40 0.9300 . ?
C9S C10S 1.3900 . ?
C9S C14S 1.3900 . ?
C9S C8S 1.430(16) . ?
C10S H10S 0.9300 . ?
C10S C11S 1.3900 . ?
C11S H11S 0.9300 . ?
C11S C12S 1.3900 . ?
C12S H12S 0.9300 . ?
C12S C13S 1.3900 . ?
C13S H13S 0.9300 . ?
C13S C14S 1.3900 . ?
C14S H14S 0.9300 . ?
C324 H324 0.9300 . ?
C324 C323 1.330(16) . ?
C112 H112 0.9300 . ?
C112 C113 1.407(14) . ?
C323 H323 0.9300 . ?
C124 H124 0.9300 . ?
C124 C123 1.25(2) . ?
C124 C125 1.327(19) . ?
C126 H126 0.9300 . ?
C126 C125 1.412(19) . ?
C122 H122 0.9300 . ?
C122 C123 1.348(19) . ?
C2S C3S 1.3900 . ?
C2S C7S 1.3900 . ?
C2S C1S 1.517(18) . ?
C3S H3S 0.9300 . ?
C3S C4S 1.3900 . ?
C4S H4S 0.9300 . ?
C4S C5S 1.3900 . ?
C5S H5S 0.9300 . ?
C5S C6S 1.3900 . ?
C6S H6S 0.9300 . ?
C6S C7S 1.3900 . ?
C7S H7S 0.9300 . ?
C113 H113 0.9300 . ?
C1S H1SA 0.9600 . ?
C1S H1SB 0.9600 . ?
C1S H1SC 0.9600 . ?
C123 H123 0.9300 . ?
C125 H125 0.9300 . ?
C8S H8SA 0.9600 . ?
C8S H8SB 0.9600 . ?
C8S H8SC 0.9600 . ?

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 Pt2 Cu3 78.90(4) . . ?
Cu1 Pt2 Cu2 55.01(3) . . ?
Cu1 Pt2 Cu4 55.30(3) . . ?
Cu3 Pt2 Cu2 55.62(3) . . ?
Cu3 Pt2 Cu4 56.34(3) . . ?
Cu4 Pt2 Cu2 85.84(3) . . ?
P4 Pt2 Cu1 152.03(6) . . ?
P4 Pt2 Cu3 76.08(6) . . ?
P4 Pt2 Cu2 117.13(6) . . ?
P4 Pt2 Cu4 99.66(6) . . ?
P3 Pt2 Cu1 78.56(6) . . ?
P3 Pt2 Cu3 153.51(6) . . ?
P3 Pt2 Cu2 99.56(6) . . ?
P3 Pt2 Cu4 118.73(6) . . ?
P3 Pt2 P4 128.57(8) . . ?
C29 Pt2 Cu1 80.7(2) . . ?
C29 Pt2 Cu3 93.7(3) . . ?
C29 Pt2 Cu2 128.0(2) . . ?
C29 Pt2 Cu4 43.8(2) . . ?
C29 Pt2 P4 88.6(2) . . ?
C29 Pt2 P3 96.2(3) . . ?
C29 Pt2 C43 170.8(3) . . ?
C43 Pt2 Cu1 91.1(2) . . ?
C43 Pt2 Cu3 80.6(2) . . ?
C43 Pt2 Cu2 42.8(2) . . ?
C43 Pt2 Cu4 127.6(2) . . ?
C43 Pt2 P4 96.9(2) . . ?
C43 Pt2 P3 86.1(2) . . ?
Cu1 Pt1 Cu3 78.82(4) . . ?
Cu1 Pt1 Cu2 55.59(3) . . ?
Cu1 Pt1 Cu4 55.23(3) . . ?
Cu3 Pt1 Cu2 56.16(3) . . ?
Cu3 Pt1 Cu4 56.23(3) . . ?
Cu2 Pt1 Cu4 86.64(3) . . ?
P2 Pt1 Cu1 151.18(6) . . ?
P2 Pt1 Cu3 76.14(6) . . ?
P2 Pt1 Cu2 97.99(6) . . ?
P2 Pt1 Cu4 118.38(6) . . ?
P1 Pt1 Cu1 80.32(6) . . ?
P1 Pt1 Cu3 155.71(6) . . ?
P1 Pt1 Cu2 119.39(6) . . ?
P1 Pt1 Cu4 101.22(6) . . ?
P1 Pt1 P2 126.91(8) . . ?
C15 Pt1 Cu1 92.0(2) . . ?
C15 Pt1 Cu3 80.4(2) . . ?
C15 Pt1 Cu2 128.0(2) . . ?
C15 Pt1 Cu4 42.8(2) . . ?
C15 Pt1 P2 97.6(2) . . ?
C15 Pt1 P1 88.0(2) . . ?
C1 Pt1 Cu1 80.8(2) . . ?
C1 Pt1 Cu3 93.3(2) . . ?
C1 Pt1 Cu2 43.5(2) . . ?
C1 Pt1 Cu4 128.5(2) . . ?
C1 Pt1 P2 86.6(2) . . ?
C1 Pt1 P1 95.6(2) . . ?
C1 Pt1 C15 171.3(3) . . ?
Pt1 Cu1 Pt2 101.40(4) . . ?
Cu2 Cu1 Pt2 66.29(4) . . ?
Cu2 Cu1 Pt1 65.05(4) . . ?
Cu4 Cu1 Pt2 65.36(4) . . ?
Cu4 Cu1 Pt1 65.51(4) . . ?
Cu4 Cu1 Cu2 98.40(5) . . ?
N3 Cu1 Pt2 93.4(2) . . ?
N3 Cu1 Pt1 131.66(19) . . ?
N3 Cu1 Cu2 80.14(18) . . ?
N3 Cu1 Cu4 156.7(2) . . ?
N1 Cu1 Pt2 134.81(19) . . ?
N1 Cu1 Pt1 94.2(2) . . ?
N1 Cu1 Cu2 155.1(2) . . ?
N1 Cu1 Cu4 83.9(2) . . ?
N1 Cu1 N3 107.3(3) . . ?
Pt2 Cu3 Pt1 100.87(4) . . ?
Cu2 Cu3 Pt2 65.78(4) . . ?
Cu2 Cu3 Pt1 64.49(4) . . ?
Cu2 Cu3 Cu4 96.45(5) . . ?
Cu4 Cu3 Pt2 64.61(4) . . ?
Cu4 Cu3 Pt1 64.70(4) . . ?
N4 Cu3 Pt2 93.5(2) . . ?
N4 Cu3 Pt1 128.59(19) . . ?
N4 Cu3 Cu2 158.5(2) . . ?
N4 Cu3 Cu4 78.33(18) . . ?
N2 Cu3 Pt2 127.44(19) . . ?
N2 Cu3 Pt1 93.67(19) . . ?
N2 Cu3 Cu2 76.30(19) . . ?
N2 Cu3 Cu4 158.0(2) . . ?
N2 Cu3 N4 115.7(3) . . ?
Pt1 Cu2 Pt2 93.46(3) . . ?
Cu1 Cu2 Pt2 58.69(3) . . ?
Cu1 Cu2 Pt1 59.36(4) . . ?
Cu1 Cu2 Cu3 82.58(5) . . ?
Cu3 Cu2 Pt2 58.60(3) . . ?
Cu3 Cu2 Pt1 59.36(4) . . ?
C43 Cu2 Pt2 43.6(3) . . ?
C43 Cu2 Pt1 135.6(3) . . ?
C43 Cu2 Cu1 95.1(3) . . ?
C43 Cu2 Cu3 83.4(2) . . ?
C43 Cu2 C2 145.6(3) . . ?
C43 Cu2 C44 34.3(3) . . ?
C2 Cu2 Pt2 166.2(2) . . ?
C2 Cu2 Pt1 78.8(2) . . ?
C2 Cu2 Cu1 107.5(2) . . ?
C2 Cu2 Cu3 124.2(2) . . ?
C1 Cu2 Pt2 136.2(3) . . ?
C1 Cu2 Pt1 44.5(3) . . ?
C1 Cu2 Cu1 84.3(2) . . ?
C1 Cu2 Cu3 97.0(3) . . ?
C1 Cu2 C43 179.2(4) . . ?
C1 Cu2 C2 34.4(3) . . ?
C1 Cu2 C44 145.8(3) . . ?
C44 Cu2 Pt2 77.7(2) . . ?
C44 Cu2 Pt1 167.8(2) . . ?
C44 Cu2 Cu1 120.5(2) . . ?
C44 Cu2 Cu3 108.6(2) . . ?
C44 Cu2 C2 111.5(3) . . ?
Pt2 Cu4 Pt1 94.05(3) . . ?
Cu1 Cu4 Pt2 59.35(4) . . ?
Cu1 Cu4 Pt1 59.27(4) . . ?
Cu1 Cu4 Cu3 82.56(5) . . ?
Cu3 Cu4 Pt2 59.05(4) . . ?
Cu3 Cu4 Pt1 59.08(3) . . ?
C15 Cu4 Pt2 136.3(3) . . ?
C15 Cu4 Pt1 44.2(3) . . ?
C15 Cu4 Cu1 96.9(3) . . ?
C15 Cu4 Cu3 83.5(2) . . ?
C15 Cu4 C29 179.0(4) . . ?
C15 Cu4 C16 34.2(3) . . ?
C15 Cu4 C30 144.9(3) . . ?
C29 Cu4 Pt2 44.2(3) . . ?
C29 Cu4 Pt1 136.6(3) . . ?
C29 Cu4 Cu1 84.1(3) . . ?
C29 Cu4 Cu3 96.5(3) . . ?
C29 Cu4 C16 145.1(4) . . ?
C29 Cu4 C30 34.5(3) . . ?
C16 Cu4 Pt2 167.2(2) . . ?
C16 Cu4 Pt1 78.2(2) . . ?
C16 Cu4 Cu1 122.6(2) . . ?
C16 Cu4 Cu3 108.1(2) . . ?
C30 Cu4 Pt2 78.7(2) . . ?
C30 Cu4 Pt1 166.0(2) . . ?
C30 Cu4 Cu1 106.9(2) . . ?
C30 Cu4 Cu3 124.2(2) . . ?
C30 Cu4 C16 111.0(3) . . ?
C231 P2 Pt1 111.3(3) . . ?
C221 P2 Pt1 118.2(3) . . ?
C221 P2 C231 103.6(4) . . ?
C221 P2 C211 107.1(4) . . ?
C211 P2 Pt1 109.6(3) . . ?
C211 P2 C231 106.2(4) . . ?
C431 P4 Pt2 110.7(3) . . ?
C431 P4 C411 106.3(4) . . ?
C421 P4 Pt2 118.5(3) . . ?
C421 P4 C431 103.7(4) . . ?
C421 P4 C411 106.8(4) . . ?
C411 P4 Pt2 110.1(3) . . ?
C131 P1 Pt1 112.6(3) . . ?
C131 P1 C121 104.5(6) . . ?
C121 P1 Pt1 111.3(5) . . ?
C111 P1 Pt1 117.5(4) . . ?
C111 P1 C131 106.5(4) . . ?
C111 P1 C121 103.2(6) . . ?
C321 P3 Pt2 111.2(4) . . ?
C311 P3 Pt2 118.4(3) . . ?
C311 P3 C321 105.3(5) . . ?
C311 P3 C331 103.4(4) . . ?
C331 P3 Pt2 110.3(3) . . ?
C331 P3 C321 107.4(5) . . ?
F10 P6 F11 89.5(3) . . ?
F10 P6 F12 90.0(3) . . ?
F9 P6 F10 179.7(4) . . ?
F9 P6 F11 90.4(3) . . ?
F9 P6 F12 90.1(3) . . ?
F11 P6 F12 179.5(4) . . ?
F8 P6 F10 90.0(3) . . ?
F8 P6 F9 90.2(3) . . ?
F8 P6 F11 90.0(3) . . ?
F8 P6 F12 89.7(3) . . ?
F7 P6 F10 90.2(3) . . ?
F7 P6 F9 89.5(3) . . ?
F7 P6 F11 90.0(3) . . ?
F7 P6 F8 179.7(4) . . ?
F7 P6 F12 90.3(3) . . ?
F6 P5 F5 176.3(7) . . ?
F6 P5 F2 89.2(5) . . ?
F4 P5 F6 91.9(5) . . ?
F4 P5 F5 87.2(5) . . ?
F4 P5 F2 90.8(6) . . ?
F2 P5 F5 87.2(5) . . ?
F3 P5 F6 89.0(5) . . ?
F3 P5 F5 91.7(5) . . ?
F3 P5 F4 176.1(7) . . ?
F3 P5 F2 85.5(5) . . ?
F3 P5 F1 97.4(6) . . ?
F1 P5 F6 91.4(5) . . ?
F1 P5 F5 92.2(5) . . ?
F1 P5 F4 86.3(5) . . ?
F1 P5 F2 177.1(6) . . ?
C335 N3 Cu1 118.6(6) . . ?
C335 N3 C331 119.2(7) . . ?
C331 N3 Cu1 122.1(6) . . ?
C435 N4 Cu3 122.0(6) . . ?
C435 N4 C431 117.1(7) . . ?
C431 N4 Cu3 120.6(6) . . ?
C131 N1 Cu1 122.1(5) . . ?
C135 N1 Cu1 119.7(6) . . ?
C135 N1 C131 118.2(7) . . ?
C235 N2 Cu3 122.8(6) . . ?
C231 N2 Cu3 119.8(6) . . ?
C231 N2 C235 117.4(7) . . ?
Cu4 C15 Pt1 92.9(4) . . ?
C16 C15 Pt1 171.3(7) . . ?
C16 C15 Cu4 82.9(6) . . ?
Cu4 C29 Pt2 92.0(4) . . ?
C30 C29 Pt2 172.2(8) . . ?
C30 C29 Cu4 80.7(6) . . ?
N2 C235 H235 118.3 . . ?
N2 C235 C234 123.5(8) . . ?
C234 C235 H235 118.3 . . ?
C435 C434 H434 120.6 . . ?
C433 C434 H434 120.6 . . ?
C433 C434 C435 118.9(8) . . ?
N4 C435 C434 123.2(8) . . ?
N4 C435 H435 118.4 . . ?
C434 C435 H435 118.4 . . ?
Cu2 C43 Pt2 93.6(4) . . ?
C44 C43 Pt2 170.1(7) . . ?
C44 C43 Cu2 80.1(6) . . ?
C1 C2 Cu2 63.8(5) . . ?
C1 C2 C3 170.3(9) . . ?
C3 C2 Cu2 125.9(6) . . ?
C15 C16 Cu4 62.9(5) . . ?
C15 C16 C17 166.9(9) . . ?
C17 C16 Cu4 130.2(6) . . ?
C235 C234 H234 120.7 . . ?
C233 C234 C235 118.7(9) . . ?
C233 C234 H234 120.7 . . ?
N2 C231 P2 114.3(6) . . ?
N2 C231 C232 122.0(8) . . ?
C232 C231 P2 123.7(7) . . ?
C17 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C17 120.3(9) . . ?
C32 C31 C30 120.2(8) . . ?
C36 C31 C30 122.4(8) . . ?
C36 C31 C32 117.3(8) . . ?
Cu2 C1 Pt1 92.1(3) . . ?
C2 C1 Pt1 172.8(7) . . ?
C2 C1 Cu2 81.9(6) . . ?
N4 C431 P4 112.6(6) . . ?
N4 C431 C432 122.5(8) . . ?
C432 C431 P4 124.9(7) . . ?
C231 C232 H232 120.1 . . ?
C233 C232 C231 119.8(9) . . ?
C233 C232 H232 120.1 . . ?
C22 C17 C16 120.2(8) . . ?
C18 C17 C16 121.0(8) . . ?
C18 C17 C22 118.7(8) . . ?
C8 C3 C2 121.7(8) . . ?
C4 C3 C2 120.4(8) . . ?
C4 C3 C8 117.9(8) . . ?
C3 C8 H8 119.4 . . ?
C7 C8 C3 121.1(8) . . ?
C7 C8 H8 119.4 . . ?
C434 C433 H433 120.7 . . ?
C434 C433 C432 118.5(8) . . ?
C432 C433 H433 120.7 . . ?
C46 C47 H47 119.4 . . ?
C46 C47 C48 121.2(8) . . ?
C48 C47 H47 119.4 . . ?
C412 C413 H413 119.4 . . ?
C412 C413 C414 121.3(9) . . ?
C414 C413 H413 119.4 . . ?
C46 C45 C44 120.3(8) . . ?
C50 C45 C46 118.7(7) . . ?
C50 C45 C44 120.9(7) . . ?
C22 C21 H21 119.4 . . ?
C22 C21 C20 121.2(9) . . ?
C20 C21 H21 119.4 . . ?
C8 C7 H7 119.4 . . ?
C8 C7 C6 121.2(8) . . ?
C6 C7 H7 119.4 . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C11 C10 C9 121.4(9) . . ?
C29 C30 Cu4 64.8(5) . . ?
C29 C30 C31 173.0(9) . . ?
C31 C30 Cu4 122.2(6) . . ?
C7 C6 C9 122.1(8) . . ?
C7 C6 C5 117.5(8) . . ?
C5 C6 C9 120.4(8) . . ?
C47 C46 C45 120.6(8) . . ?
C47 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C426 C421 P4 122.9(6) . . ?
C426 C421 C422 119.2(8) . . ?
C422 C421 P4 118.0(6) . . ?
C311 C316 H316 119.5 . . ?
C311 C316 C315 121.1(10) . . ?
C315 C316 H316 119.5 . . ?
N3 C335 H335 118.9 . . ?
N3 C335 C334 122.2(8) . . ?
C334 C335 H335 118.9 . . ?
C45 C50 H50 119.4 . . ?
C45 C50 C49 121.3(7) . . ?
C49 C50 H50 119.4 . . ?
C43 C44 Cu2 65.6(5) . . ?
C43 C44 C45 165.2(9) . . ?
C45 C44 Cu2 127.5(6) . . ?
C9 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C9 120.1(9) . . ?
C10 C9 C6 121.4(8) . . ?
C10 C9 C14 118.3(8) . . ?
C14 C9 C6 120.3(8) . . ?
C326 C321 P3 119.1(8) . . ?
C322 C321 P3 121.3(9) . . ?
C322 C321 C326 118.3(10) . . ?
C47 C48 C49 117.9(8) . . ?
C47 C48 C51 122.0(7) . . ?
C49 C48 C51 120.1(8) . . ?
C421 C426 H426 119.7 . . ?
C425 C426 C421 120.7(8) . . ?
C425 C426 H426 119.7 . . ?
C416 C411 P4 122.6(7) . . ?
C416 C411 C412 119.0(8) . . ?
C412 C411 P4 118.0(7) . . ?
C431 C432 C433 119.7(8) . . ?
C431 C432 H432 120.1 . . ?
C433 C432 H432 120.1 . . ?
C411 C416 H416 119.8 . . ?
C411 C416 C415 120.3(9) . . ?
C415 C416 H416 119.8 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.2(10) . . ?
C12 C11 H11 119.9 . . ?
C335 C334 H334 120.6 . . ?
C335 C334 C333 118.9(8) . . ?
C333 C334 H334 120.6 . . ?
C31 C32 H32 119.4 . . ?
C33 C32 C31 121.1(9) . . ?
C33 C32 H32 119.4 . . ?
C421 C422 H422 120.7 . . ?
C421 C422 C423 118.7(8) . . ?
C423 C422 H422 120.7 . . ?
C413 C412 C411 119.3(10) . . ?
C413 C412 H412 120.3 . . ?
C411 C412 H412 120.3 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.6(8) . . ?
C5 C4 H4 119.7 . . ?
C6 C5 H5 119.2 . . ?
C4 C5 C6 121.6(8) . . ?
C4 C5 H5 119.2 . . ?
C50 C49 C48 120.2(8) . . ?
C50 C49 H49 119.9 . . ?
C48 C49 H49 119.9 . . ?
C11 C12 H12 120.3 . . ?
C11 C12 C13 119.4(9) . . ?
C13 C12 H12 120.3 . . ?
N1 C131 P1 115.8(6) . . ?
N1 C131 C132 120.7(8) . . ?
C132 C131 P1 123.5(7) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 C31 119.9(9) . . ?
C35 C36 H36 120.0 . . ?
C316 C311 P3 118.6(7) . . ?
C316 C311 C312 119.6(9) . . ?
C312 C311 P3 121.8(7) . . ?
C222 C221 P2 121.5(6) . . ?
C222 C221 C226 119.9(8) . . ?
C226 C221 P2 118.6(7) . . ?
C221 C222 H222 120.5 . . ?
C221 C222 C223 118.9(9) . . ?
C223 C222 H222 120.5 . . ?
C333 C332 H332 120.5 . . ?
C333 C332 C331 119.0(9) . . ?
C331 C332 H332 120.5 . . ?
C426 C425 H425 119.3 . . ?
C424 C425 C426 121.3(9) . . ?
C424 C425 H425 119.3 . . ?
C416 C415 H415 119.8 . . ?
C414 C415 C416 120.4(9) . . ?
C414 C415 H415 119.8 . . ?
C51 C52 H52 119.2 . . ?
C53 C52 H52 119.2 . . ?
C53 C52 C51 121.5(9) . . ?
N1 C135 H135 118.8 . . ?
N1 C135 C134 122.5(9) . . ?
C134 C135 H135 118.8 . . ?
C33 C34 C37 119.9(9) . . ?
C35 C34 C33 116.5(8) . . ?
C35 C34 C37 123.5(9) . . ?
C216 C211 P2 120.0(8) . . ?
C212 C211 P2 120.4(7) . . ?
C212 C211 C216 119.0(9) . . ?
C334 C333 H333 120.3 . . ?
C332 C333 C334 119.5(8) . . ?
C332 C333 H333 120.3 . . ?
C32 C33 C34 122.0(9) . . ?
C32 C33 H33 119.0 . . ?
C34 C33 H33 119.0 . . ?
C56 C55 H55 120.1 . . ?
C54 C55 H55 120.1 . . ?
C54 C55 C56 119.7(9) . . ?
C234 C233 C232 118.6(8) . . ?
C234 C233 H233 120.7 . . ?
C232 C233 H233 120.7 . . ?
C55 C56 H56 119.1 . . ?
C51 C56 C55 121.9(9) . . ?
C51 C56 H56 119.1 . . ?
C316 C315 H315 120.9 . . ?
C314 C315 C316 118.3(9) . . ?
C314 C315 H315 120.9 . . ?
C115 C116 H116 119.5 . . ?
C115 C116 C111 121.1(10) . . ?
C111 C116 H116 119.5 . . ?
C422 C423 H423 119.7 . . ?
C424 C423 C422 120.6(8) . . ?
C424 C423 H423 119.7 . . ?
N3 C331 P3 113.7(6) . . ?
N3 C331 C332 121.2(8) . . ?
C332 C331 P3 125.0(7) . . ?
C126 C121 P1 122.3(11) . . ?
C126 C121 C122 115.3(14) . . ?
C122 C121 P1 116.6(11) . . ?
C52 C51 C48 122.3(8) . . ?
C56 C51 C48 120.8(8) . . ?
C56 C51 C52 116.9(8) . . ?
C37 C38 H38 118.9 . . ?
C39 C38 H38 118.9 . . ?
C39 C38 C37 122.2(12) . . ?
C38 C37 C34 123.8(10) . . ?
C38 C37 C42 117.0(10) . . ?
C42 C37 C34 119.2(9) . . ?
C14 C13 C12 120.6(9) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C321 C326 H326 119.6 . . ?
C321 C326 C325 120.9(10) . . ?
C325 C326 H326 119.6 . . ?
C425 C424 C423 119.5(8) . . ?
C425 C424 H424 120.2 . . ?
C423 C424 H424 120.2 . . ?
C52 C53 H53 119.9 . . ?
C54 C53 C52 120.2(9) . . ?
C54 C53 H53 119.9 . . ?
C211 C216 H216 120.1 . . ?
C215 C216 C211 119.7(11) . . ?
C215 C216 H216 120.1 . . ?
C116 C115 H115 119.9 . . ?
C116 C115 C114 120.2(10) . . ?
C114 C115 H115 119.9 . . ?
C36 C35 H35 118.5 . . ?
C34 C35 C36 122.9(9) . . ?
C34 C35 H35 118.5 . . ?
C116 C111 P1 116.8(8) . . ?
C112 C111 P1 124.4(8) . . ?
C112 C111 C116 118.7(10) . . ?
C135 C134 H134 119.9 . . ?
C133 C134 C135 120.2(9) . . ?
C133 C134 H134 119.9 . . ?
C55 C54 H54 120.1 . . ?
C53 C54 C55 119.9(9) . . ?
C53 C54 H54 120.1 . . ?
C20 C19 H19 119.0 . . ?
C18 C19 H19 119.0 . . ?
C18 C19 C20 122.0(9) . . ?
C413 C414 H414 120.2 . . ?
C415 C414 C413 119.6(9) . . ?
C415 C414 H414 120.2 . . ?
C222 C223 H223 119.3 . . ?
C224 C223 C222 121.5(10) . . ?
C224 C223 H223 119.3 . . ?
C326 C325 H325 119.9 . . ?
C324 C325 C326 120.1(11) . . ?
C324 C325 H325 119.9 . . ?
C131 C132 H132 120.0 . . ?
C131 C132 C133 120.0(10) . . ?
C133 C132 H132 120.0 . . ?
C21 C20 C23 121.7(9) . . ?
C19 C20 C21 117.4(8) . . ?
C19 C20 C23 121.0(9) . . ?
C216 C215 H215 120.0 . . ?
C214 C215 C216 120.1(12) . . ?
C214 C215 H215 120.0 . . ?
C221 C226 H226 120.3 . . ?
C225 C226 C221 119.4(10) . . ?
C225 C226 H226 120.3 . . ?
C311 C312 H312 120.0 . . ?
C311 C312 C313 120.0(10) . . ?
C313 C312 H312 120.0 . . ?
C23 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
C27 C28 C23 120.6(11) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 H25 119.2 . . ?
C26 C25 C24 121.5(11) . . ?
C223 C224 H224 120.3 . . ?
C223 C224 C225 119.4(10) . . ?
C225 C224 H224 120.3 . . ?
C211 C212 H212 120.2 . . ?
C211 C212 C213 119.6(11) . . ?
C213 C212 H212 120.2 . . ?
C37 C42 H42 119.9 . . ?
C41 C42 C37 120.2(11) . . ?
C41 C42 H42 119.9 . . ?
C321 C322 H322 120.1 . . ?
C321 C322 C323 119.7(11) . . ?
C323 C322 H322 120.1 . . ?
C25 C24 H24 120.6 . . ?
C23 C24 C25 118.9(11) . . ?
C23 C24 H24 120.6 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.3(9) . . ?
C19 C18 H18 119.8 . . ?
C115 C114 H114 120.0 . . ?
C115 C114 C113 120.0(10) . . ?
C113 C114 H114 120.0 . . ?
C28 C23 C20 120.8(9) . . ?
C24 C23 C20 121.0(10) . . ?
C24 C23 C28 118.2(9) . . ?
C134 C133 C132 118.2(9) . . ?
C134 C133 H133 120.9 . . ?
C132 C133 H133 120.9 . . ?
C312 C313 H313 120.2 . . ?
C314 C313 C312 119.6(11) . . ?
C314 C313 H313 120.2 . . ?
C25 C26 H26 120.7 . . ?
C27 C26 C25 118.7(11) . . ?
C27 C26 H26 120.7 . . ?
C38 C39 H39 120.1 . . ?
C38 C39 C40 119.9(13) . . ?
C40 C39 H39 120.1 . . ?
C315 C314 C313 121.4(9) . . ?
C315 C314 H314 119.3 . . ?
C313 C314 H314 119.3 . . ?
C215 C214 H214 119.8 . . ?
C213 C214 C215 120.4(11) . . ?
C213 C214 H214 119.8 . . ?
C42 C41 H41 120.0 . . ?
C40 C41 C42 120.0(13) . . ?
C40 C41 H41 120.0 . . ?
C226 C225 C224 120.9(10) . . ?
C226 C225 H225 119.6 . . ?
C224 C225 H225 119.6 . . ?
C212 C213 H213 119.4 . . ?
C214 C213 C212 121.3(13) . . ?
C214 C213 H213 119.4 . . ?
C28 C27 H27 119.0 . . ?
C26 C27 C28 122.1(12) . . ?
C26 C27 H27 119.0 . . ?
C39 C40 H40 119.6 . . ?
C41 C40 C39 120.7(12) . . ?
C41 C40 H40 119.6 . . ?
C10S C9S C14S 120.0 . . ?
C10S C9S C8S 109.9(9) . . ?
C14S C9S C8S 130.1(9) . . ?
C9S C10S H10S 120.0 . . ?
C9S C10S C11S 120.0 . . ?
C11S C10S H10S 120.0 . . ?
C10S C11S H11S 120.0 . . ?
C12S C11S C10S 120.0 . . ?
C12S C11S H11S 120.0 . . ?
C11S C12S H12S 120.0 . . ?
C11S C12S C13S 120.0 . . ?
C13S C12S H12S 120.0 . . ?
C12S C13S H13S 120.0 . . ?
C12S C13S C14S 120.0 . . ?
C14S C13S H13S 120.0 . . ?
C9S C14S H14S 120.0 . . ?
C13S C14S C9S 120.0 . . ?
C13S C14S H14S 120.0 . . ?
C325 C324 H324 119.7 . . ?
C323 C324 C325 120.5(11) . . ?
C323 C324 H324 119.7 . . ?
C111 C112 H112 120.0 . . ?
C111 C112 C113 119.9(10) . . ?
C113 C112 H112 120.0 . . ?
C322 C323 H323 119.8 . . ?
C324 C323 C322 120.4(11) . . ?
C324 C323 H323 119.8 . . ?
C123 C124 H124 116.2 . . ?
C123 C124 C125 127.7(16) . . ?
C125 C124 H124 116.2 . . ?
C121 C126 H126 119.1 . . ?
C121 C126 C125 121.7(14) . . ?
C125 C126 H126 119.1 . . ?
C121 C122 H122 118.9 . . ?
C123 C122 C121 122.2(15) . . ?
C123 C122 H122 118.9 . . ?
C3S C2S C7S 120.0 . . ?
C3S C2S C1S 120.0(9) . . ?
C7S C2S C1S 120.0(9) . . ?
C2S C3S H3S 120.0 . . ?
C4S C3S C2S 120.0 . . ?
C4S C3S H3S 120.0 . . ?
C3S C4S H4S 120.0 . . ?
C3S C4S C5S 120.0 . . ?
C5S C4S H4S 120.0 . . ?
C4S C5S H5S 120.0 . . ?
C6S C5S C4S 120.0 . . ?
C6S C5S H5S 120.0 . . ?
C5S C6S H6S 120.0 . . ?
C5S C6S C7S 120.0 . . ?
C7S C6S H6S 120.0 . . ?
C2S C7S H7S 120.0 . . ?
C6S C7S C2S 120.0 . . ?
C6S C7S H7S 120.0 . . ?
C114 C113 C112 120.1(10) . . ?
C114 C113 H113 120.0 . . ?
C112 C113 H113 120.0 . . ?
C2S C1S H1SA 109.5 . . ?
C2S C1S H1SB 109.5 . . ?
C2S C1S H1SC 109.5 . . ?
H1SA C1S H1SB 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
C124 C123 C122 117.8(15) . . ?
C124 C123 H123 121.1 . . ?
C122 C123 H123 121.1 . . ?
C124 C125 C126 114.8(15) . . ?
C124 C125 H125 122.6 . . ?
C126 C125 H125 122.6 . . ?
C9S C8S H8SA 109.5 . . ?
C9S C8S H8SB 109.5 . . ?
C9S C8S H8SC 109.5 . . ?
H8SA C8S H8SB 109.5 . . ?
H8SA C8S H8SC 109.5 . . ?
H8SB C8S H8SC 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.537
_oxdiff_exptl_absorpt_empirical_full_min 0.844
####################################################################### 
# 
# 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_f-cu4pt2-sr
_database_code_depnum_ccdc_archive 'CCDC 2330686'
loop_
_audit_author_name
_audit_author_address
'Shang-Fu Yuan'
;Jinan University
China
;
_audit_update_record             
;
2024-02-03 deposited with the CCDC.	2024-04-23 downloaded from the CCDC.
;
_audit_creation_date             2022-11-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C100 H72 Cu4 F4 N4 P4 Pt2, C H2 Cl2, 2(F6 P)'
_chemical_formula_sum            'C101 H74 Cl2 Cu4 F16 N4 P6 Pt2'
_chemical_formula_weight         2548.70
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   27.8806(11)
_cell_length_b                   14.6603(4)
_cell_length_c                   29.4612(11)
_cell_angle_alpha                90
_cell_angle_beta                 117.331(5)
_cell_angle_gamma                90
_cell_volume                     10697.7(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    173.00(10)
_cell_measurement_reflns_used    6064
_cell_measurement_theta_min      4.1960
_cell_measurement_theta_max      64.9490
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.562
_exptl_absorpt_correction_T_min  0.91792
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic brownish red'
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4992
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0658
_diffrn_reflns_av_unetI/netI     0.0931
_diffrn_reflns_Laue_measured_fraction_full 0.964
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            36738
_diffrn_reflns_point_group_measured_fraction_full 0.964
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        65.040
_diffrn_reflns_theta_max         65.040
_diffrn_reflns_theta_min         3.455
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10228
_reflns_number_total             17555
_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    ?
_refine_diff_density_max         3.151
_refine_diff_density_min         -2.782
_refine_diff_density_rms         0.213
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1231
_refine_ls_number_reflns         17555
_refine_ls_number_restraints     336
_refine_ls_R_factor_all          0.1293
_refine_ls_R_factor_gt           0.0879
_refine_ls_restrained_S_all      1.065
_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)+(0.1217P)²+19.8895P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2306
_refine_ls_wR_factor_ref         0.2550
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
C421 \\sim C422 \\sim C423 \\sim C424 \\sim C425 \\sim C426: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C121 \\sim C122 \\sim C123 \\sim C124 \\sim C125 \\sim C126: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C321 \\sim C322 \\sim C323 \\sim C324 \\sim C325 \\sim C326: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C211 \\sim C212 \\sim C213 \\sim C214 \\sim C215 \\sim C216: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
Cl1S \\sim Cl2S \\sim C1S: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Cl3S \\sim Cl4S \\sim C2S: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C31 \\sim C32: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C41 \\sim C42: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
F1 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim C18: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
F2 \\sim C23 \\sim C24 \\sim C25 \\sim C26 \\sim C27 \\sim C28: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C221 \\sim C222 \\sim C223 \\sim C224 \\sim C225 \\sim C226: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
F5 \\sim P5 \\sim F9 \\sim F7 \\sim F10 \\sim F8 \\sim F6: within 2A with sigma
of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: Cl1S(0.5) Cl2S(0.5) C1S(0.5) H1SA(0.5) H1SB(0.5) Cl3S(0.5)
 Cl4S(0.5) C2S(0.5) H2SA(0.5) H2SB(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB), C2S(H2SA,H2SB)
4.b Aromatic/amide H refined with riding coordinates:
 C14(H14), C15(H15), C17(H17), C18(H18), C24(H24), C25(H25), C27(H27),
 C28(H28), C34(H34), C35(H35), C37(H37), C38(H38), C44(H44), C45(H45), C47(H47),
  C48(H48), C116(H116), C115(H115), C114(H114), C113(H113), C112(H112),
 C122(H122), C123(H123), C124(H124), C125(H125), C126(H126), C132(H132),
 C133(H133), C134(H134), C135(H135), C212(H212), C213(H213), C214(H214),
 C215(H215), C216(H216), C222(H222), C223(H223), C224(H224), C225(H225),
 C226(H226), C232(H232), C233(H233), C234(H234), C235(H235), C312(H312),
 C313(H313), C314(H314), C315(H315), C316(H316), C322(H322), C323(H323),
 C324(H324), C325(H325), C326(H326), C332(H332), C333(H333), C334(H334),
 C335(H335), C412(H412), C413(H413), C414(H414), C415(H415), C416(H416),
 C422(H422), C423(H423), C424(H424), C425(H425), C426(H426), C432(H432),
 C433(H433), C434(H434), C435(H435)
4.c Fitted hexagon refined as free rotating group:
 C111(C116,C115,C114,C113,C112)
;
_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 0.25354(2) 0.44310(4) 0.74803(2) 0.02490(17) Uani 1 1 d . . . . .
Pt2 Pt 0.25035(2) 0.73766(4) 0.74885(2) 0.02296(17) Uani 1 1 d . . . . .
Cu1 Cu 0.28550(7) 0.58938(13) 0.81302(6) 0.0250(4) Uani 1 1 d . . . . .
Cu2 Cu 0.32000(7) 0.59401(13) 0.74499(7) 0.0266(4) Uani 1 1 d . . . . .
Cu3 Cu 0.21728(7) 0.59025(13) 0.68367(6) 0.0245(4) Uani 1 1 d . . . . .
Cu4 Cu 0.18319(7) 0.58904(13) 0.75165(7) 0.0261(4) Uani 1 1 d . . . . .
P1 P 0.27688(13) 0.3796(2) 0.82828(12) 0.0286(7) Uani 1 1 d . . . . .
P2 P 0.22940(13) 0.3818(2) 0.66702(12) 0.0263(7) Uani 1 1 d . . . . .
P3 P 0.18958(12) 0.7977(2) 0.66950(12) 0.0266(7) Uani 1 1 d . . . . .
P4 P 0.31045(12) 0.7981(2) 0.82776(12) 0.0244(7) Uani 1 1 d . . . . .
F1 F 0.5643(5) 0.4653(11) 0.7414(7) 0.113(5) Uani 1 1 d . U . . .
F2 F -0.0554(5) 0.4233(11) 0.7530(7) 0.113(5) Uani 1 1 d . U . . .
F3 F 0.5432(4) 0.7283(10) 0.7089(4) 0.081(4) Uani 1 1 d . . . . .
F4 F -0.0368(4) 0.6985(10) 0.7977(5) 0.087(4) Uani 1 1 d . . . . .
N1 N 0.2540(4) 0.5397(7) 0.8592(4) 0.021(2) Uani 1 1 d . . . . .
N2 N 0.2496(4) 0.5466(9) 0.6375(4) 0.032(3) Uani 1 1 d . . . . .
N3 N 0.1390(4) 0.6361(8) 0.6422(4) 0.030(3) Uani 1 1 d . . . . .
N4 N 0.3626(4) 0.6372(8) 0.8564(4) 0.029(2) Uani 1 1 d . . . . .
C11 C 0.3283(6) 0.4620(10) 0.7559(5) 0.035(3) Uani 1 1 d . . . . .
C12 C 0.3709(5) 0.4766(9) 0.7535(5) 0.025(3) Uani 1 1 d . . . . .
C13 C 0.4220(6) 0.4737(12) 0.7516(7) 0.048(3) Uani 1 1 d . U . . .
C14 C 0.4688(6) 0.4654(13) 0.7950(8) 0.057(4) Uani 1 1 d . U . . .
H14 H 0.4698 0.4624 0.8270 0.069 Uiso 1 1 calc R . . . .
C15 C 0.5168(7) 0.4614(15) 0.7889(9) 0.074(4) Uani 1 1 d . U . . .
H15 H 0.5503 0.4555 0.8174 0.089 Uiso 1 1 calc R . . . .
C16 C 0.5136(8) 0.4663(16) 0.7409(10) 0.077(4) Uani 1 1 d . U . . .
C17 C 0.4685(7) 0.4768(15) 0.6987(9) 0.072(4) Uani 1 1 d . U . . .
H17 H 0.4681 0.4822 0.6671 0.086 Uiso 1 1 calc R . . . .
C18 C 0.4209(7) 0.4794(13) 0.7036(8) 0.059(3) Uani 1 1 d . U . . .
H18 H 0.3879 0.4850 0.6744 0.070 Uiso 1 1 calc R . . . .
C21 C 0.1794(5) 0.4531(8) 0.7409(5) 0.024(3) Uani 1 1 d . . . . .
C22 C 0.1361(5) 0.4662(10) 0.7424(5) 0.032(3) Uani 1 1 d . . . . .
C23 C 0.0851(6) 0.4591(12) 0.7447(7) 0.050(3) Uani 1 1 d . U . . .
C24 C 0.0377(6) 0.4493(12) 0.7005(8) 0.054(3) Uani 1 1 d . U . . .
H24 H 0.0374 0.4499 0.6688 0.065 Uiso 1 1 calc R . . . .
C25 C -0.0098(7) 0.4383(14) 0.7041(9) 0.070(4) Uani 1 1 d . U . . .
H25 H -0.0428 0.4337 0.6749 0.084 Uiso 1 1 calc R . . . .
C26 C -0.0069(7) 0.4342(16) 0.7538(10) 0.074(4) Uani 1 1 d . U . . .
C27 C 0.0379(7) 0.4486(15) 0.7945(9) 0.071(4) Uani 1 1 d . U . . .
H27 H 0.0378 0.4537 0.8259 0.085 Uiso 1 1 calc R . . . .
C28 C 0.0853(7) 0.4566(14) 0.7920(8) 0.060(3) Uani 1 1 d . U . . .
H28 H 0.1178 0.4603 0.8219 0.072 Uiso 1 1 calc R . . . .
C31 C 0.3139(5) 0.7297(11) 0.7344(5) 0.033(3) Uani 1 1 d . U . . .
C32 C 0.3553(5) 0.7147(11) 0.7300(5) 0.039(3) Uani 1 1 d . U . . .
C33 C 0.4031(4) 0.7213(10) 0.7235(5) 0.027(3) Uani 1 1 d . . . . .
C34 C 0.4545(6) 0.7048(13) 0.7653(6) 0.049(4) Uani 1 1 d . . . . .
H34 H 0.4565 0.6905 0.7969 0.058 Uiso 1 1 calc R . . . .
C35 C 0.5003(7) 0.7089(14) 0.7609(7) 0.061(5) Uani 1 1 d . . . . .
H35 H 0.5337 0.7013 0.7894 0.073 Uiso 1 1 calc R . . . .
C36 C 0.4968(6) 0.7245(13) 0.7140(6) 0.050(4) Uani 1 1 d . . . . .
C37 C 0.4484(6) 0.7420(13) 0.6716(6) 0.052(5) Uani 1 1 d . . . . .
H37 H 0.4476 0.7580 0.6407 0.062 Uiso 1 1 calc R . . . .
C38 C 0.4010(6) 0.7354(10) 0.6756(6) 0.038(3) Uani 1 1 d . . . . .
H38 H 0.3678 0.7403 0.6466 0.045 Uiso 1 1 calc R . . . .
C41 C 0.1860(4) 0.7246(8) 0.7626(5) 0.023(2) Uani 1 1 d . U . . .
C42 C 0.1458(5) 0.7074(9) 0.7689(5) 0.028(3) Uani 1 1 d . U . . .
C43 C 0.0994(5) 0.7041(9) 0.7767(5) 0.026(3) Uani 1 1 d . . . . .
C44 C 0.0493(5) 0.6820(12) 0.7364(5) 0.042(4) Uani 1 1 d . . . . .
H44 H 0.0468 0.6683 0.7045 0.051 Uiso 1 1 calc R . . . .
C45 C 0.0037(6) 0.6800(13) 0.7427(7) 0.053(5) Uani 1 1 d . . . . .
H45 H -0.0298 0.6671 0.7155 0.064 Uiso 1 1 calc R . . . .
C46 C 0.0091(6) 0.6976(14) 0.7906(7) 0.057(5) Uani 1 1 d . . . . .
C47 C 0.0565(6) 0.7197(11) 0.8307(6) 0.044(4) Uani 1 1 d . . . . .
H47 H 0.0583 0.7330 0.8623 0.053 Uiso 1 1 calc R . . . .
C48 C 0.1020(6) 0.7222(12) 0.8242(6) 0.046(4) Uani 1 1 d . . . . .
H48 H 0.1351 0.7361 0.8518 0.055 Uiso 1 1 calc R . . . .
C111 C 0.3484(2) 0.3612(7) 0.8725(3) 0.031(3) Uani 1 1 d . . . . .
C116 C 0.3700(3) 0.3835(8) 0.9240(3) 0.047(4) Uani 1 1 d G . . . .
H116 H 0.3477 0.4065 0.9370 0.057 Uiso 1 1 calc R . . . .
C115 C 0.4248(3) 0.3716(9) 0.9560(2) 0.058(5) Uani 1 1 d G . . . .
H115 H 0.4392 0.3865 0.9904 0.069 Uiso 1 1 calc R . . . .
C114 C 0.4580(3) 0.3373(9) 0.9365(3) 0.052(4) Uani 1 1 d G . . . .
H114 H 0.4947 0.3293 0.9579 0.063 Uiso 1 1 calc R . . . .
C113 C 0.4365(3) 0.3150(7) 0.8850(3) 0.050(4) Uani 1 1 d G . . . .
H113 H 0.4588 0.2920 0.8720 0.059 Uiso 1 1 calc R . . . .
C112 C 0.3817(3) 0.3269(6) 0.8530(2) 0.026(3) Uani 1 1 d G . . . .
H112 H 0.3673 0.3120 0.8186 0.032 Uiso 1 1 calc R . . . .
C121 C 0.2473(6) 0.2690(10) 0.8289(6) 0.040(3) Uani 1 1 d . U . . .
C122 C 0.1924(6) 0.2566(10) 0.8036(7) 0.051(3) Uani 1 1 d . U . . .
H122 H 0.1713 0.3042 0.7835 0.062 Uiso 1 1 calc R . . . .
C123 C 0.1669(7) 0.1791(12) 0.8060(8) 0.061(4) Uani 1 1 d . U . . .
H123 H 0.1296 0.1744 0.7879 0.073 Uiso 1 1 calc R . . . .
C124 C 0.1973(7) 0.1069(12) 0.8360(8) 0.067(4) Uani 1 1 d . U . . .
H124 H 0.1807 0.0542 0.8395 0.081 Uiso 1 1 calc R . . . .
C125 C 0.2551(7) 0.1158(11) 0.8613(8) 0.061(4) Uani 1 1 d . U . . .
H125 H 0.2769 0.0677 0.8801 0.074 Uiso 1 1 calc R . . . .
C126 C 0.2775(6) 0.1977(10) 0.8572(7) 0.048(3) Uani 1 1 d . U . . .
H126 H 0.3148 0.2043 0.8746 0.057 Uiso 1 1 calc R . . . .
C131 C 0.2520(5) 0.4493(10) 0.8655(4) 0.030(3) Uani 1 1 d . . . . .
C132 C 0.2346(6) 0.4114(11) 0.8977(5) 0.041(4) Uani 1 1 d . . . . .
H132 H 0.2362 0.3487 0.9031 0.049 Uiso 1 1 calc R . . . .
C133 C 0.2144(5) 0.4700(13) 0.9224(6) 0.045(4) Uani 1 1 d . . . . .
H133 H 0.2011 0.4465 0.9438 0.054 Uiso 1 1 calc R . . . .
C134 C 0.2143(5) 0.5606(13) 0.9149(5) 0.040(4) Uani 1 1 d . . . . .
H134 H 0.2014 0.6004 0.9314 0.048 Uiso 1 1 calc R . . . .
C135 C 0.2333(5) 0.5937(10) 0.8826(5) 0.033(3) Uani 1 1 d . . . . .
H135 H 0.2319 0.6562 0.8767 0.040 Uiso 1 1 calc R . . . .
C211 C 0.2596(6) 0.2757(10) 0.6640(6) 0.039(3) Uani 1 1 d . U . . .
C212 C 0.2302(7) 0.2063(12) 0.6272(7) 0.060(4) Uani 1 1 d . U . . .
H212 H 0.1931 0.2130 0.6075 0.072 Uiso 1 1 calc R . . . .
C213 C 0.2549(7) 0.1307(13) 0.6200(8) 0.073(4) Uani 1 1 d . U . . .
H213 H 0.2348 0.0871 0.5957 0.088 Uiso 1 1 calc R . . . .
C214 C 0.3098(7) 0.1203(13) 0.6494(7) 0.061(4) Uani 1 1 d . U . . .
H214 H 0.3267 0.0694 0.6442 0.073 Uiso 1 1 calc R . . . .
C215 C 0.3401(6) 0.1825(12) 0.6858(7) 0.050(3) Uani 1 1 d . U . . .
H215 H 0.3770 0.1739 0.7057 0.060 Uiso 1 1 calc R . . . .
C216 C 0.3151(6) 0.2570(11) 0.6921(6) 0.045(3) Uani 1 1 d . U . . .
H216 H 0.3363 0.2989 0.7170 0.054 Uiso 1 1 calc R . . . .
C221 C 0.1581(5) 0.3605(10) 0.6252(5) 0.029(3) Uani 1 1 d . U . . .
C222 C 0.1275(5) 0.3240(11) 0.6444(6) 0.039(3) Uani 1 1 d . U . . .
H222 H 0.1432 0.3087 0.6789 0.047 Uiso 1 1 calc R . . . .
C223 C 0.0715(6) 0.3079(12) 0.6135(6) 0.046(3) Uani 1 1 d . U . . .
H223 H 0.0513 0.2797 0.6274 0.055 Uiso 1 1 calc R . . . .
C224 C 0.0471(6) 0.3338(13) 0.5632(6) 0.052(3) Uani 1 1 d . U . . .
H224 H 0.0104 0.3246 0.5426 0.062 Uiso 1 1 calc R . . . .
C225 C 0.0785(6) 0.3733(12) 0.5443(6) 0.048(3) Uani 1 1 d . U . . .
H225 H 0.0627 0.3918 0.5104 0.057 Uiso 1 1 calc R . . . .
C226 C 0.1323(6) 0.3865(11) 0.5741(5) 0.040(3) Uani 1 1 d . U . . .
H226 H 0.1525 0.4136 0.5598 0.047 Uiso 1 1 calc R . . . .
C231 C 0.2519(4) 0.4545(10) 0.6300(5) 0.029(3) Uani 1 1 d . . . . .
C232 C 0.2705(6) 0.4246(10) 0.5964(5) 0.036(3) Uani 1 1 d . . . . .
H232 H 0.2703 0.3625 0.5900 0.043 Uiso 1 1 calc R . . . .
C233 C 0.2892(6) 0.4839(11) 0.5723(5) 0.039(3) Uani 1 1 d . . . . .
H233 H 0.3017 0.4623 0.5500 0.047 Uiso 1 1 calc R . . . .
C234 C 0.2893(5) 0.5751(12) 0.5816(5) 0.040(4) Uani 1 1 d . . . . .
H234 H 0.3028 0.6169 0.5665 0.048 Uiso 1 1 calc R . . . .
C235 C 0.2688(5) 0.6035(10) 0.6140(5) 0.030(3) Uani 1 1 d . . . . .
H235 H 0.2683 0.6658 0.6199 0.036 Uiso 1 1 calc R . . . .
C311 C 0.2121(5) 0.8119(9) 0.6212(5) 0.030(3) Uani 1 1 d . . . . .
C312 C 0.1810(6) 0.7853(14) 0.5715(6) 0.053(5) Uani 1 1 d . . . . .
H312 H 0.1476 0.7578 0.5615 0.063 Uiso 1 1 calc R . . . .
C313 C 0.2009(8) 0.8005(15) 0.5356(7) 0.066(5) Uani 1 1 d . . . . .
H313 H 0.1816 0.7786 0.5024 0.079 Uiso 1 1 calc R . . . .
C314 C 0.2469(8) 0.8460(14) 0.5488(6) 0.060(5) Uani 1 1 d . . . . .
H314 H 0.2580 0.8584 0.5241 0.072 Uiso 1 1 calc R . . . .
C315 C 0.2783(6) 0.8748(11) 0.5980(6) 0.046(4) Uani 1 1 d . . . . .
H315 H 0.3102 0.9069 0.6070 0.055 Uiso 1 1 calc R . . . .
C316 C 0.2602(6) 0.8539(12) 0.6349(5) 0.043(4) Uani 1 1 d . . . . .
H316 H 0.2818 0.8691 0.6689 0.052 Uiso 1 1 calc R . . . .
C321 C 0.1623(8) 0.9129(12) 0.6706(8) 0.062(4) Uani 1 1 d . U . . .
C322 C 0.1524(9) 0.9728(13) 0.6320(9) 0.075(4) Uani 1 1 d . U . . .
H322 H 0.1610 0.9589 0.6059 0.091 Uiso 1 1 calc R . . . .
C323 C 0.1285(9) 1.0566(14) 0.6334(9) 0.082(4) Uani 1 1 d . U . . .
H323 H 0.1227 1.1001 0.6084 0.098 Uiso 1 1 calc R . . . .
C324 C 0.1146(9) 1.0740(14) 0.6686(9) 0.079(4) Uani 1 1 d . U . . .
H324 H 0.0976 1.1291 0.6677 0.094 Uiso 1 1 calc R . . . .
C325 C 0.1237(9) 1.0167(14) 0.7055(9) 0.080(4) Uani 1 1 d . U . . .
H325 H 0.1138 1.0315 0.7308 0.096 Uiso 1 1 calc R . . . .
C326 C 0.1483(9) 0.9331(12) 0.7071(8) 0.071(4) Uani 1 1 d . U . . .
H326 H 0.1548 0.8918 0.7333 0.086 Uiso 1 1 calc R . . . .
C331 C 0.1287(5) 0.7235(12) 0.6376(5) 0.038(4) Uani 1 1 d . . . . .
C332 C 0.0782(6) 0.7619(12) 0.6126(6) 0.048(4) Uani 1 1 d . . . . .
H332 H 0.0734 0.8248 0.6107 0.058 Uiso 1 1 calc R . . . .
C333 C 0.0328(5) 0.7004(12) 0.5893(6) 0.050(4) Uani 1 1 d . . . . .
H333 H -0.0023 0.7221 0.5715 0.060 Uiso 1 1 calc R . . . .
C334 C 0.0439(6) 0.6085(11) 0.5946(6) 0.044(4) Uani 1 1 d . . . . .
H334 H 0.0160 0.5663 0.5802 0.052 Uiso 1 1 calc R . . . .
C335 C 0.0961(5) 0.5797(11) 0.6212(5) 0.036(3) Uani 1 1 d . . . . .
H335 H 0.1024 0.5172 0.6251 0.043 Uiso 1 1 calc R . . . .
C411 C 0.2894(5) 0.8085(9) 0.8775(5) 0.027(3) Uani 1 1 d . . . . .
C412 C 0.2407(6) 0.8555(11) 0.8642(5) 0.038(3) Uani 1 1 d . . . . .
H412 H 0.2204 0.8766 0.8309 0.045 Uiso 1 1 calc R . . . .
C413 C 0.2232(6) 0.8701(11) 0.8997(6) 0.040(4) Uani 1 1 d . . . . .
H413 H 0.1913 0.9021 0.8905 0.048 Uiso 1 1 calc R . . . .
C414 C 0.2513(7) 0.8387(13) 0.9482(6) 0.054(5) Uani 1 1 d . . . . .
H414 H 0.2380 0.8470 0.9717 0.064 Uiso 1 1 calc R . . . .
C415 C 0.2992(7) 0.7951(14) 0.9624(6) 0.057(5) Uani 1 1 d . . . . .
H415 H 0.3195 0.7761 0.9960 0.068 Uiso 1 1 calc R . . . .
C416 C 0.3184(6) 0.7782(12) 0.9261(5) 0.045(4) Uani 1 1 d . . . . .
H416 H 0.3506 0.7467 0.9356 0.054 Uiso 1 1 calc R . . . .
C421 C 0.3355(8) 0.9120(12) 0.8272(7) 0.058(3) Uani 1 1 d . U . . .
C422 C 0.3214(9) 0.9513(14) 0.7795(8) 0.075(4) Uani 1 1 d . U . . .
H422 H 0.3003 0.9190 0.7498 0.090 Uiso 1 1 calc R . . . .
C423 C 0.3387(10) 1.0372(15) 0.7769(9) 0.086(4) Uani 1 1 d . U . . .
H423 H 0.3277 1.0649 0.7452 0.103 Uiso 1 1 calc R . . . .
C424 C 0.3734(9) 1.0848(14) 0.8225(9) 0.079(4) Uani 1 1 d . U . . .
H424 H 0.3874 1.1418 0.8210 0.094 Uiso 1 1 calc R . . . .
C425 C 0.3853(9) 1.0460(14) 0.8668(9) 0.073(4) Uani 1 1 d . U . . .
H425 H 0.4072 1.0764 0.8970 0.088 Uiso 1 1 calc R . . . .
C426 C 0.3659(8) 0.9621(13) 0.8687(8) 0.068(4) Uani 1 1 d . U . . .
H426 H 0.3741 0.9378 0.9006 0.081 Uiso 1 1 calc R . . . .
C431 C 0.3724(5) 0.7257(10) 0.8593(5) 0.031(3) Uani 1 1 d . . . . .
C432 C 0.4241(5) 0.7647(13) 0.8813(7) 0.057(5) Uani 1 1 d . . . . .
H432 H 0.4293 0.8272 0.8807 0.069 Uiso 1 1 calc R . . . .
C433 C 0.4681(6) 0.7031(11) 0.9046(7) 0.053(4) Uani 1 1 d . . . . .
H433 H 0.5034 0.7248 0.9210 0.063 Uiso 1 1 calc R . . . .
C434 C 0.4580(6) 0.6113(12) 0.9026(7) 0.051(4) Uani 1 1 d . . . . .
H434 H 0.4860 0.5694 0.9175 0.062 Uiso 1 1 calc R . . . .
C435 C 0.4056(5) 0.5836(12) 0.8780(6) 0.047(4) Uani 1 1 d . . . . .
H435 H 0.3993 0.5210 0.8762 0.057 Uiso 1 1 calc R . . . .
Cl1S Cl 0.3964(3) 0.2116(7) 1.1006(3) 0.065(2) Uani 0.5 1 d . U P . .
Cl2S Cl 0.3220(5) 0.2119(9) 0.9934(4) 0.088(3) Uani 0.5 1 d . U P . .
C1S C 0.3528(16) 0.269(3) 1.0537(13) 0.068(7) Uani 0.5 1 d . U P . .
H1SA H 0.3702 0.3238 1.0499 0.081 Uiso 0.5 1 calc R . P . .
H1SB H 0.3245 0.2880 1.0621 0.081 Uiso 0.5 1 calc R . P . .
Cl3S Cl 0.1871(5) 0.2396(9) 0.4933(4) 0.101(4) Uani 0.5 1 d . U P . .
Cl4S Cl 0.1048(5) 0.2405(10) 0.3906(4) 0.092(4) Uani 0.5 1 d . U P . .
C2S C 0.1568(18) 0.300(3) 0.4387(15) 0.086(9) Uani 0.5 1 d . U P . .
H2SA H 0.1833 0.3159 0.4274 0.103 Uiso 0.5 1 calc R . P . .
H2SB H 0.1426 0.3559 0.4453 0.103 Uiso 0.5 1 calc R . P . .
P5 P 0.1072(2) 0.5694(6) 0.4525(3) 0.104(2) Uani 1 1 d . U . . .
F5 F 0.1664(6) 0.5540(16) 0.4918(6) 0.159(7) Uani 1 1 d . U . . .
F6 F 0.0472(5) 0.5840(13) 0.4141(5) 0.118(5) Uani 1 1 d . U . . .
F7 F 0.0969(6) 0.5978(14) 0.4965(7) 0.143(6) Uani 1 1 d . U . . .
F8 F 0.1183(5) 0.5361(14) 0.4045(6) 0.127(5) Uani 1 1 d . U . . .
F9 F 0.0892(7) 0.4727(13) 0.4559(6) 0.123(5) Uani 1 1 d . U . . .
F10 F 0.1291(6) 0.6574(15) 0.4390(7) 0.145(6) Uani 1 1 d . U . . .
P6 P 0.39054(19) 0.5556(5) 1.0488(2) 0.0754(17) Uani 1 1 d . . . . .
F11 F 0.4021(5) 0.5915(13) 1.0074(7) 0.128(6) Uani 1 1 d . . . . .
F12 F 0.3779(5) 0.5183(13) 1.0936(5) 0.113(5) Uani 1 1 d . . . . .
F13 F 0.4509(4) 0.5740(12) 1.0882(5) 0.106(5) Uani 1 1 d . . . . .
F14 F 0.3303(5) 0.5382(19) 1.0077(6) 0.173(10) Uani 1 1 d . . . . .
F15 F 0.4092(6) 0.4594(11) 1.0432(6) 0.108(5) Uani 1 1 d . . . . .
F16 F 0.3717(6) 0.6501(12) 1.0608(6) 0.116(5) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cu1 2.7371(19) . ?
Pt1 Cu2 2.9135(19) . ?
Pt1 Cu3 2.7406(19) . ?
Pt1 Cu4 2.9373(19) . ?
Pt1 P1 2.338(3) . ?
Pt1 P2 2.342(3) . ?
Pt1 C11 2.009(15) . ?
Pt1 C21 1.983(13) . ?
Pt2 Cu1 2.7493(19) . ?
Pt2 Cu2 2.9019(19) . ?
Pt2 Cu3 2.7535(19) . ?
Pt2 Cu4 2.8985(19) . ?
Pt2 P3 2.339(3) . ?
Pt2 P4 2.328(3) . ?
Pt2 C31 2.005(11) . ?
Pt2 C41 2.020(11) . ?
Cu1 Cu2 2.592(2) . ?
Cu1 Cu4 2.583(2) . ?
Cu1 N1 2.063(10) . ?
Cu1 N4 2.055(10) . ?
Cu2 Cu3 2.592(2) . ?
Cu2 C11 1.958(15) . ?
Cu2 C12 2.170(13) . ?
Cu2 C31 2.009(16) . ?
Cu2 C32 2.167(17) . ?
Cu3 Cu4 2.581(2) . ?
Cu3 N2 2.049(12) . ?
Cu3 N3 2.064(11) . ?
Cu4 C21 2.014(13) . ?
Cu4 C22 2.171(14) . ?
Cu4 C41 2.009(13) . ?
Cu4 C42 2.202(13) . ?
P1 C111 1.833(7) . ?
P1 C121 1.822(15) . ?
P1 C131 1.851(14) . ?
P2 C211 1.791(16) . ?
P2 C221 1.822(12) . ?
P2 C231 1.830(14) . ?
P3 C311 1.812(13) . ?
P3 C321 1.859(16) . ?
P3 C331 1.866(16) . ?
P4 C411 1.818(12) . ?
P4 C421 1.815(18) . ?
P4 C431 1.871(13) . ?
F1 C16 1.41(2) . ?
F2 C26 1.352(19) . ?
F3 C36 1.370(16) . ?
F4 C46 1.389(17) . ?
N1 C131 1.342(17) . ?
N1 C135 1.340(17) . ?
N2 C231 1.374(19) . ?
N2 C235 1.343(17) . ?
N3 C331 1.31(2) . ?
N3 C335 1.348(17) . ?
N4 C431 1.321(18) . ?
N4 C435 1.327(19) . ?
C11 C12 1.239(19) . ?
C12 C13 1.453(19) . ?
C13 C14 1.35(2) . ?
C13 C18 1.40(2) . ?
C14 C15 1.43(3) . ?
C15 C16 1.38(3) . ?
C16 C17 1.31(3) . ?
C17 C18 1.40(2) . ?
C21 C22 1.244(18) . ?
C22 C23 1.460(18) . ?
C23 C24 1.37(2) . ?
C23 C28 1.39(2) . ?
C24 C25 1.38(2) . ?
C25 C26 1.43(3) . ?
C26 C27 1.29(3) . ?
C27 C28 1.36(2) . ?
C31 C32 1.241(18) . ?
C32 C33 1.434(18) . ?
C33 C34 1.415(19) . ?
C33 C38 1.40(2) . ?
C34 C35 1.34(2) . ?
C35 C36 1.36(2) . ?
C36 C37 1.38(2) . ?
C37 C38 1.38(2) . ?
C41 C42 1.246(17) . ?
C42 C43 1.413(18) . ?
C43 C44 1.394(18) . ?
C43 C48 1.39(2) . ?
C44 C45 1.37(2) . ?
C45 C46 1.37(2) . ?
C46 C47 1.35(2) . ?
C47 C48 1.37(2) . ?
C111 C116 1.3900 . ?
C111 C112 1.3900 . ?
C116 C115 1.3900 . ?
C115 C114 1.3900 . ?
C114 C113 1.3900 . ?
C113 C112 1.3900 . ?
C121 C122 1.37(2) . ?
C121 C126 1.36(2) . ?
C122 C123 1.36(2) . ?
C123 C124 1.39(2) . ?
C124 C125 1.44(2) . ?
C125 C126 1.38(2) . ?
C131 C132 1.367(18) . ?
C132 C133 1.40(2) . ?
C133 C134 1.35(2) . ?
C134 C135 1.373(19) . ?
C211 C212 1.44(2) . ?
C211 C216 1.41(2) . ?
C212 C213 1.37(2) . ?
C213 C214 1.38(2) . ?
C214 C215 1.36(2) . ?
C215 C216 1.35(2) . ?
C221 C222 1.33(2) . ?
C221 C226 1.393(19) . ?
C222 C223 1.421(19) . ?
C223 C224 1.37(2) . ?
C224 C225 1.36(2) . ?
C225 C226 1.36(2) . ?
C231 C232 1.383(19) . ?
C232 C233 1.37(2) . ?
C233 C234 1.36(2) . ?
C234 C235 1.384(19) . ?
C311 C312 1.37(2) . ?
C311 C316 1.36(2) . ?
C312 C313 1.42(2) . ?
C313 C314 1.34(3) . ?
C314 C315 1.37(2) . ?
C315 C316 1.42(2) . ?
C321 C322 1.36(2) . ?
C321 C326 1.34(2) . ?
C322 C323 1.41(3) . ?
C323 C324 1.29(3) . ?
C324 C325 1.30(3) . ?
C325 C326 1.39(2) . ?
C331 C332 1.37(2) . ?
C332 C333 1.44(2) . ?
C333 C334 1.37(2) . ?
C334 C335 1.36(2) . ?
C411 C412 1.41(2) . ?
C411 C416 1.36(2) . ?
C412 C413 1.359(19) . ?
C413 C414 1.36(2) . ?
C414 C415 1.36(3) . ?
C415 C416 1.42(2) . ?
C421 C422 1.40(3) . ?
C421 C426 1.34(2) . ?
C422 C423 1.36(3) . ?
C423 C424 1.43(3) . ?
C424 C425 1.32(3) . ?
C425 C426 1.35(3) . ?
C431 C432 1.40(2) . ?
C432 C433 1.42(2) . ?
C433 C434 1.37(2) . ?
C434 C435 1.36(2) . ?
Cl1S C1S 1.60(4) . ?
Cl2S C1S 1.79(4) . ?
Cl3S C2S 1.68(4) . ?
Cl4S C2S 1.72(5) . ?
P5 F5 1.536(14) . ?
P5 F6 1.545(13) . ?
P5 F7 1.51(2) . ?
P5 F8 1.65(2) . ?
P5 F9 1.522(18) . ?
P5 F10 1.55(2) . ?
P6 F11 1.494(19) . ?
P6 F12 1.612(17) . ?
P6 F13 1.567(12) . ?
P6 F14 1.575(14) . ?
P6 F15 1.538(16) . ?
P6 F16 1.579(17) . ?

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 54.49(5) . . ?
Cu1 Pt1 Cu3 76.44(5) . . ?
Cu1 Pt1 Cu4 54.01(5) . . ?
Cu2 Pt1 Cu4 83.84(5) . . ?
Cu3 Pt1 Cu2 54.46(5) . . ?
Cu3 Pt1 Cu4 53.94(5) . . ?
P1 Pt1 Cu1 75.80(10) . . ?
P1 Pt1 Cu2 116.60(9) . . ?
P1 Pt1 Cu3 148.88(10) . . ?
P1 Pt1 Cu4 97.69(10) . . ?
P1 Pt1 P2 133.94(12) . . ?
P2 Pt1 Cu1 149.63(9) . . ?
P2 Pt1 Cu2 98.60(9) . . ?
P2 Pt1 Cu3 75.82(9) . . ?
P2 Pt1 Cu4 115.63(9) . . ?
C11 Pt1 Cu1 79.9(4) . . ?
C11 Pt1 Cu2 42.1(4) . . ?
C11 Pt1 Cu3 90.3(4) . . ?
C11 Pt1 Cu4 124.8(4) . . ?
C11 Pt1 P1 98.4(4) . . ?
C11 Pt1 P2 88.2(4) . . ?
C21 Pt1 Cu1 90.3(4) . . ?
C21 Pt1 Cu2 125.9(4) . . ?
C21 Pt1 Cu3 80.4(3) . . ?
C21 Pt1 Cu4 43.1(4) . . ?
C21 Pt1 P1 86.0(4) . . ?
C21 Pt1 P2 97.0(4) . . ?
C21 Pt1 C11 167.8(5) . . ?
Cu1 Pt2 Cu2 54.51(5) . . ?
Cu1 Pt2 Cu3 76.03(5) . . ?
Cu1 Pt2 Cu4 54.34(5) . . ?
Cu3 Pt2 Cu2 54.48(5) . . ?
Cu3 Pt2 Cu4 54.27(5) . . ?
Cu4 Pt2 Cu2 84.74(5) . . ?
P3 Pt2 Cu1 148.27(10) . . ?
P3 Pt2 Cu2 115.12(9) . . ?
P3 Pt2 Cu3 75.01(10) . . ?
P3 Pt2 Cu4 97.48(9) . . ?
P4 Pt2 Cu1 75.41(9) . . ?
P4 Pt2 Cu2 97.32(9) . . ?
P4 Pt2 Cu3 148.43(9) . . ?
P4 Pt2 Cu4 115.83(9) . . ?
P4 Pt2 P3 135.55(12) . . ?
C31 Pt2 Cu1 91.7(4) . . ?
C31 Pt2 Cu2 43.7(5) . . ?
C31 Pt2 Cu3 81.5(4) . . ?
C31 Pt2 Cu4 127.4(5) . . ?
C31 Pt2 P3 96.6(4) . . ?
C31 Pt2 P4 86.2(4) . . ?
C31 Pt2 C41 171.2(6) . . ?
C41 Pt2 Cu1 81.8(4) . . ?
C41 Pt2 Cu2 127.6(4) . . ?
C41 Pt2 Cu3 91.2(3) . . ?
C41 Pt2 Cu4 43.9(4) . . ?
C41 Pt2 P3 86.2(4) . . ?
C41 Pt2 P4 97.7(4) . . ?
Pt1 Cu1 Pt2 103.87(6) . . ?
Cu2 Cu1 Pt1 66.22(6) . . ?
Cu2 Cu1 Pt2 65.74(6) . . ?
Cu4 Cu1 Pt1 66.96(6) . . ?
Cu4 Cu1 Pt2 65.78(6) . . ?
Cu4 Cu1 Cu2 98.13(8) . . ?
N1 Cu1 Pt1 94.9(3) . . ?
N1 Cu1 Pt2 127.4(3) . . ?
N1 Cu1 Cu2 160.3(3) . . ?
N1 Cu1 Cu4 78.1(3) . . ?
N4 Cu1 Pt1 127.9(3) . . ?
N4 Cu1 Pt2 95.7(3) . . ?
N4 Cu1 Cu2 79.5(3) . . ?
N4 Cu1 Cu4 160.0(3) . . ?
N4 Cu1 N1 110.5(4) . . ?
Pt2 Cu2 Pt1 95.93(5) . . ?
Cu1 Cu2 Pt1 59.29(6) . . ?
Cu1 Cu2 Pt2 59.74(6) . . ?
Cu1 Cu2 Cu3 81.65(7) . . ?
Cu3 Cu2 Pt1 59.37(6) . . ?
Cu3 Cu2 Pt2 59.84(6) . . ?
C11 Cu2 Pt1 43.4(4) . . ?
C11 Cu2 Pt2 137.9(4) . . ?
C11 Cu2 Cu1 84.6(4) . . ?
C11 Cu2 Cu3 95.9(4) . . ?
C11 Cu2 C12 34.4(5) . . ?
C11 Cu2 C31 178.3(5) . . ?
C11 Cu2 C32 144.1(6) . . ?
C12 Cu2 Pt1 77.6(3) . . ?
C12 Cu2 Pt2 169.9(3) . . ?
C12 Cu2 Cu1 110.1(3) . . ?
C12 Cu2 Cu3 121.2(3) . . ?
C31 Cu2 Pt1 138.3(3) . . ?
C31 Cu2 Pt2 43.6(3) . . ?
C31 Cu2 Cu1 96.3(3) . . ?
C31 Cu2 Cu3 85.7(4) . . ?
C31 Cu2 C12 143.9(5) . . ?
C31 Cu2 C32 34.3(5) . . ?
C32 Cu2 Pt1 168.9(4) . . ?
C32 Cu2 Pt2 77.9(4) . . ?
C32 Cu2 Cu1 122.9(4) . . ?
C32 Cu2 Cu3 109.6(4) . . ?
C32 Cu2 C12 109.7(5) . . ?
Pt1 Cu3 Pt2 103.66(6) . . ?
Cu2 Cu3 Pt1 66.17(6) . . ?
Cu2 Cu3 Pt2 65.68(6) . . ?
Cu4 Cu3 Pt1 66.92(6) . . ?
Cu4 Cu3 Pt2 65.73(6) . . ?
Cu4 Cu3 Cu2 98.16(8) . . ?
N2 Cu3 Pt1 94.5(3) . . ?
N2 Cu3 Pt2 126.9(3) . . ?
N2 Cu3 Cu2 77.7(3) . . ?
N2 Cu3 Cu4 160.7(3) . . ?
N2 Cu3 N3 112.1(4) . . ?
N3 Cu3 Pt1 128.3(3) . . ?
N3 Cu3 Pt2 94.7(3) . . ?
N3 Cu3 Cu2 159.3(3) . . ?
N3 Cu3 Cu4 78.2(3) . . ?
Pt2 Cu4 Pt1 95.49(5) . . ?
Cu1 Cu4 Pt1 59.04(6) . . ?
Cu1 Cu4 Pt2 59.88(5) . . ?
Cu3 Cu4 Pt1 59.13(5) . . ?
Cu3 Cu4 Pt2 60.00(6) . . ?
Cu3 Cu4 Cu1 82.03(7) . . ?
C21 Cu4 Pt1 42.3(4) . . ?
C21 Cu4 Pt2 136.6(4) . . ?
C21 Cu4 Cu1 94.2(3) . . ?
C21 Cu4 Cu3 84.0(4) . . ?
C21 Cu4 C22 34.3(5) . . ?
C21 Cu4 C42 145.2(5) . . ?
C22 Cu4 Pt1 76.5(4) . . ?
C22 Cu4 Pt2 168.9(4) . . ?
C22 Cu4 Cu1 120.0(4) . . ?
C22 Cu4 Cu3 109.0(4) . . ?
C22 Cu4 C42 111.1(5) . . ?
C41 Cu4 Pt1 138.4(3) . . ?
C41 Cu4 Pt2 44.1(3) . . ?
C41 Cu4 Cu1 86.3(3) . . ?
C41 Cu4 Cu3 96.6(3) . . ?
C41 Cu4 C21 179.2(5) . . ?
C41 Cu4 C22 144.9(5) . . ?
C41 Cu4 C42 34.0(5) . . ?
C42 Cu4 Pt1 167.9(3) . . ?
C42 Cu4 Pt2 78.2(3) . . ?
C42 Cu4 Cu1 109.0(3) . . ?
C42 Cu4 Cu3 123.8(4) . . ?
C111 P1 Pt1 118.9(3) . . ?
C111 P1 C131 104.0(5) . . ?
C121 P1 Pt1 116.5(5) . . ?
C121 P1 C111 102.3(6) . . ?
C121 P1 C131 101.0(7) . . ?
C131 P1 Pt1 111.9(4) . . ?
C211 P2 Pt1 117.6(5) . . ?
C211 P2 C221 102.2(7) . . ?
C211 P2 C231 100.2(7) . . ?
C221 P2 Pt1 117.9(4) . . ?
C221 P2 C231 105.3(6) . . ?
C231 P2 Pt1 111.5(5) . . ?
C311 P3 Pt2 118.3(4) . . ?
C311 P3 C321 101.5(7) . . ?
C311 P3 C331 103.6(6) . . ?
C321 P3 Pt2 116.1(7) . . ?
C321 P3 C331 104.7(8) . . ?
C331 P3 Pt2 111.0(5) . . ?
C411 P4 Pt2 119.1(4) . . ?
C411 P4 C431 102.4(6) . . ?
C421 P4 Pt2 116.4(6) . . ?
C421 P4 C411 101.4(7) . . ?
C421 P4 C431 104.7(8) . . ?
C431 P4 Pt2 111.0(4) . . ?
C131 N1 Cu1 119.7(8) . . ?
C135 N1 Cu1 123.0(9) . . ?
C135 N1 C131 117.3(11) . . ?
C231 N2 Cu3 118.7(9) . . ?
C235 N2 Cu3 123.2(10) . . ?
C235 N2 C231 118.0(12) . . ?
C331 N3 Cu3 120.2(9) . . ?
C331 N3 C335 116.6(12) . . ?
C335 N3 Cu3 123.1(10) . . ?
C431 N4 Cu1 120.2(9) . . ?
C431 N4 C435 115.9(12) . . ?
C435 N4 Cu1 123.5(10) . . ?
Cu2 C11 Pt1 94.5(6) . . ?
C12 C11 Pt1 171.0(11) . . ?
C12 C11 Cu2 82.2(10) . . ?
C11 C12 Cu2 63.4(8) . . ?
C11 C12 C13 168.3(14) . . ?
C13 C12 Cu2 128.3(10) . . ?
C14 C13 C12 120.2(15) . . ?
C14 C13 C18 121.7(15) . . ?
C18 C13 C12 118.0(14) . . ?
C13 C14 C15 115.9(19) . . ?
C16 C15 C14 120.2(18) . . ?
C15 C16 F1 113.3(19) . . ?
C17 C16 F1 122(2) . . ?
C17 C16 C15 124.3(19) . . ?
C16 C17 C18 117(2) . . ?
C17 C18 C13 121.2(18) . . ?
Pt1 C21 Cu4 94.6(5) . . ?
C22 C21 Pt1 171.4(11) . . ?
C22 C21 Cu4 79.8(9) . . ?
C21 C22 Cu4 65.9(8) . . ?
C21 C22 C23 167.1(15) . . ?
C23 C22 Cu4 126.8(11) . . ?
C24 C23 C22 119.8(15) . . ?
C24 C23 C28 120.6(14) . . ?
C28 C23 C22 119.5(15) . . ?
C23 C24 C25 118.4(18) . . ?
C24 C25 C26 118.5(18) . . ?
F2 C26 C25 113.7(19) . . ?
C27 C26 F2 125(2) . . ?
C27 C26 C25 121.2(16) . . ?
C26 C27 C28 121(2) . . ?
C27 C28 C23 119.8(18) . . ?
Pt2 C31 Cu2 92.6(6) . . ?
C32 C31 Pt2 171.3(14) . . ?
C32 C31 Cu2 79.8(11) . . ?
C31 C32 Cu2 65.8(10) . . ?
C31 C32 C33 165.9(17) . . ?
C33 C32 Cu2 128.3(11) . . ?
C34 C33 C32 120.2(12) . . ?
C38 C33 C32 122.1(12) . . ?
C38 C33 C34 117.4(11) . . ?
C35 C34 C33 122.4(15) . . ?
C34 C35 C36 118.5(16) . . ?
F3 C36 C37 118.3(14) . . ?
C35 C36 F3 119.2(14) . . ?
C35 C36 C37 122.4(14) . . ?
C36 C37 C38 119.1(14) . . ?
C37 C38 C33 119.7(13) . . ?
Cu4 C41 Pt2 92.0(5) . . ?
C42 C41 Pt2 173.3(11) . . ?
C42 C41 Cu4 81.5(8) . . ?
C41 C42 Cu4 64.5(8) . . ?
C41 C42 C43 170.3(13) . . ?
C43 C42 Cu4 125.2(9) . . ?
C44 C43 C42 120.3(12) . . ?
C48 C43 C42 121.7(12) . . ?
C48 C43 C44 118.0(12) . . ?
C45 C44 C43 121.3(14) . . ?
C44 C45 C46 117.8(15) . . ?
C45 C46 F4 118.9(14) . . ?
C47 C46 F4 117.9(14) . . ?
C47 C46 C45 123.1(14) . . ?
C46 C47 C48 118.9(14) . . ?
C47 C48 C43 120.8(14) . . ?
C116 C111 P1 121.7(5) . . ?
C116 C111 C112 120.0 . . ?
C112 C111 P1 118.3(5) . . ?
C111 C116 C115 120.0 . . ?
C114 C115 C116 120.0 . . ?
C115 C114 C113 120.0 . . ?
C114 C113 C112 120.0 . . ?
C113 C112 C111 120.0 . . ?
C122 C121 P1 120.7(11) . . ?
C126 C121 P1 122.2(11) . . ?
C126 C121 C122 116.9(14) . . ?
C123 C122 C121 124.2(15) . . ?
C122 C123 C124 119.4(16) . . ?
C123 C124 C125 118.1(15) . . ?
C126 C125 C124 118.5(15) . . ?
C121 C126 C125 122.8(15) . . ?
N1 C131 P1 114.4(9) . . ?
N1 C131 C132 123.2(13) . . ?
C132 C131 P1 122.4(12) . . ?
C131 C132 C133 117.9(15) . . ?
C134 C133 C132 119.3(14) . . ?
C133 C134 C135 119.4(15) . . ?
N1 C135 C134 122.8(14) . . ?
C212 C211 P2 122.2(12) . . ?
C216 C211 P2 123.7(12) . . ?
C216 C211 C212 113.5(14) . . ?
C213 C212 C211 122.4(16) . . ?
C212 C213 C214 119.0(17) . . ?
C215 C214 C213 121.8(16) . . ?
C216 C215 C214 118.4(15) . . ?
C215 C216 C211 124.9(16) . . ?
C222 C221 P2 119.6(10) . . ?
C222 C221 C226 117.2(12) . . ?
C226 C221 P2 123.0(10) . . ?
C221 C222 C223 121.6(14) . . ?
C224 C223 C222 120.1(15) . . ?
C225 C224 C223 117.8(14) . . ?
C226 C225 C224 121.6(15) . . ?
C225 C226 C221 121.7(14) . . ?
N2 C231 P2 115.0(9) . . ?
N2 C231 C232 119.1(12) . . ?
C232 C231 P2 125.9(12) . . ?
C233 C232 C231 121.9(14) . . ?
C234 C233 C232 119.0(13) . . ?
C233 C234 C235 118.0(14) . . ?
N2 C235 C234 123.8(14) . . ?
C312 C311 P3 121.9(11) . . ?
C316 C311 P3 118.1(11) . . ?
C316 C311 C312 120.0(13) . . ?
C311 C312 C313 118.6(16) . . ?
C314 C313 C312 120.8(17) . . ?
C313 C314 C315 121.6(15) . . ?
C314 C315 C316 117.5(15) . . ?
C311 C316 C315 121.3(14) . . ?
C322 C321 P3 120.1(14) . . ?
C326 C321 P3 119.2(13) . . ?
C326 C321 C322 120.5(16) . . ?
C321 C322 C323 117.3(19) . . ?
C324 C323 C322 121.1(19) . . ?
C323 C324 C325 121.9(19) . . ?
C324 C325 C326 119.9(19) . . ?
C321 C326 C325 119.3(18) . . ?
N3 C331 P3 114.4(10) . . ?
N3 C331 C332 125.4(15) . . ?
C332 C331 P3 120.2(14) . . ?
C331 C332 C333 117.2(16) . . ?
C334 C333 C332 117.1(13) . . ?
C335 C334 C333 119.6(15) . . ?
N3 C335 C334 124.1(15) . . ?
C412 C411 P4 116.4(10) . . ?
C416 C411 P4 124.5(11) . . ?
C416 C411 C412 119.1(12) . . ?
C413 C412 C411 120.2(13) . . ?
C414 C413 C412 121.3(15) . . ?
C413 C414 C415 119.6(15) . . ?
C414 C415 C416 120.5(15) . . ?
C411 C416 C415 119.3(15) . . ?
C422 C421 P4 117.2(13) . . ?
C426 C421 P4 125.5(15) . . ?
C426 C421 C422 117.4(18) . . ?
C423 C422 C421 119.6(19) . . ?
C422 C423 C424 120(2) . . ?
C425 C424 C423 118.3(19) . . ?
C424 C425 C426 121(2) . . ?
C421 C426 C425 124(2) . . ?
N4 C431 P4 114.0(9) . . ?
N4 C431 C432 124.7(13) . . ?
C432 C431 P4 121.2(12) . . ?
C431 C432 C433 116.2(16) . . ?
C434 C433 C432 119.2(15) . . ?
C435 C434 C433 117.7(15) . . ?
N4 C435 C434 126.2(16) . . ?
Cl1S C1S Cl2S 116(3) . . ?
Cl3S C2S Cl4S 113(3) . . ?
F5 P5 F6 178.3(10) . . ?
F5 P5 F8 92.6(11) . . ?
F5 P5 F10 84.5(10) . . ?
F6 P5 F8 88.8(8) . . ?
F6 P5 F10 96.7(10) . . ?
F7 P5 F5 87.3(11) . . ?
F7 P5 F6 91.2(9) . . ?
F7 P5 F8 178.8(12) . . ?
F7 P5 F9 90.0(11) . . ?
F7 P5 F10 104.0(13) . . ?
F9 P5 F5 94.9(11) . . ?
F9 P5 F6 84.2(10) . . ?
F9 P5 F8 88.9(11) . . ?
F9 P5 F10 166.0(13) . . ?
F10 P5 F8 77.1(10) . . ?
F11 P6 F12 179.2(11) . . ?
F11 P6 F13 89.1(8) . . ?
F11 P6 F14 89.0(10) . . ?
F11 P6 F15 91.5(10) . . ?
F11 P6 F16 95.3(11) . . ?
F13 P6 F12 90.9(7) . . ?
F13 P6 F14 178.1(11) . . ?
F13 P6 F16 92.1(9) . . ?
F14 P6 F12 91.0(10) . . ?
F14 P6 F16 88.2(10) . . ?
F15 P6 F12 89.3(9) . . ?
F15 P6 F13 86.4(9) . . ?
F15 P6 F14 93.6(11) . . ?
F15 P6 F16 172.9(10) . . ?
F16 P6 F12 83.8(9) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.500 379.3 0.0 ?
2 0.000 0.500 0.000 379.3 0.0 ?
3 0.229 0.141 0.733 18.1 0.0 ?
4 0.229 0.359 0.233 18.1 0.0 ?
5 0.500 0.000 1.000 364.6 0.0 ?
6 0.500 0.500 0.500 364.6 0.0 ?
7 0.459 0.111 0.639 7.2 0.6 ?
8 0.459 0.389 0.139 7.2 0.6 ?
9 0.541 0.611 0.861 7.2 0.6 ?
10 0.541 0.889 0.361 7.2 0.6 ?
11 0.771 0.641 0.767 18.1 0.0 ?
12 0.771 0.859 0.267 18.1 0.0 ?

_smtbx_masks_special_details     ?

