# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_syn-[PtCu-MeCN]_revised
_audit_creation_method           'by CrystalStructure 4.0'

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C35 H31.50 Cu F12 N8.50 P2 Pt S2'
_chemical_formula_moiety         'C35 H31.50 Cu F12 N8.50 P2 Pt S2'
_chemical_formula_weight         1183.88
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 1/2+X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   11.926(2)
_cell_length_b                   13.525(3)
_cell_length_c                   27.443(6)
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.321(2)
_cell_angle_gamma                90.0000
_cell_volume                     4340.4(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    11897
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    150
#------------------------------------------------------------------------------
_exptl_crystal_description       chip
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.13
_exptl_crystal_density_diffrn    1.812
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2312.00
_exptl_absorpt_coefficient_mu    3.956
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_absorpt_correction_T_min  0.390
_exptl_absorpt_correction_T_max  0.852

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      150
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.314
_diffrn_reflns_number            34466
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_av_unetI/netI     0.1251
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       33
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             9931
_reflns_number_gt                7363
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0536
_refine_ls_wR_factor_ref         0.1922
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         9931
_refine_ls_number_parameters     568
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0844P)²+2.8616P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.040
_refine_diff_density_min         -2.800
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Cu Cu 0.3201 1.2651
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.108764(19) 0.527538(19) 0.051349(9) 0.02738(12) Uani 1.0 4 d . . .
Cu1 Cu 0.29104(7) 0.53630(6) 0.13367(3) 0.0289(2) Uani 1.0 4 d . . .
S1 S 0.25044(16) 0.49161(17) 0.00848(7) 0.0344(4) Uani 1.0 4 d . . .
S2 S 0.14979(14) 0.69025(14) 0.04308(7) 0.0354(4) Uani 1.0 4 d . . .
P1 P 0.77136(18) 0.28888(19) 0.24741(8) 0.0456(6) Uani 1.0 4 d . . .
P2 P 0.7900(2) 0.9383(2) 0.05640(10) 0.0523(6) Uani 1.0 4 d . . .
F1 F 0.8270(8) 0.3926(7) 0.2450(4) 0.119(4) Uani 1.0 4 d . . .
F2 F 0.7176(9) 0.1850(7) 0.2475(4) 0.135(4) Uani 1.0 4 d . . .
F3 F 0.8895(7) 0.2440(8) 0.2711(3) 0.122(4) Uani 1.0 4 d . . .
F4 F 0.6522(6) 0.3325(7) 0.2227(3) 0.101(3) Uani 1.0 4 d . . .
F5 F 0.8014(6) 0.2650(5) 0.1941(3) 0.0736(18) Uani 1.0 4 d . . .
F6 F 0.7409(6) 0.3090(6) 0.2998(3) 0.081(2) Uani 1.0 4 d . . .
F7 F 0.7942(7) 1.0388(5) 0.0857(4) 0.100(3) Uani 1.0 4 d . . .
F8 F 0.7861(8) 0.8353(6) 0.0295(3) 0.106(3) Uani 1.0 4 d . . .
F9 F 0.9019(7) 0.9045(10) 0.0937(4) 0.138(5) Uani 1.0 4 d . . .
F10 F 0.6781(8) 0.9734(7) 0.0215(4) 0.112(3) Uani 1.0 4 d . . .
F11 F 0.8650(8) 0.9869(6) 0.0212(3) 0.104(4) Uani 1.0 4 d . . .
F12 F 0.7151(5) 0.8932(5) 0.0930(3) 0.0739(18) Uani 1.0 4 d . . .
N1 N 0.2234(5) 0.4244(5) 0.1674(2) 0.0331(13) Uani 1.0 4 d . . .
N2 N 0.1968(5) 0.6164(5) 0.1738(3) 0.0330(13) Uani 1.0 4 d . . .
N3 N 0.0604(5) 0.3843(5) 0.0605(3) 0.0315(13) Uani 1.0 4 d . . .
N4 N -0.0268(5) 0.5524(5) 0.0865(2) 0.0271(12) Uani 1.0 4 d . . .
N5 N 0.3868(5) 0.4469(5) 0.0982(3) 0.0327(13) Uani 1.0 4 d . . .
N6 N 0.3558(5) 0.6547(5) 0.1029(3) 0.0344(13) Uani 1.0 4 d . . .
N7 N 0.4418(7) 0.5388(6) 0.2133(4) 0.0513(19) Uani 1.0 4 d . . .
N8 N 0.1914(14) 1.0010(11) 0.1812(6) 0.120(6) Uani 1.0 4 d . . .
N9 N 0.3774(14) 0.1435(12) 0.1250(7) 0.067(6) Uani 0.5000 4 d . . .
C1 C 0.2396(6) 0.3274(7) 0.1613(3) 0.0404(18) Uani 1.0 4 d . . .
C2 C 0.1889(7) 0.2542(7) 0.1860(3) 0.0442(19) Uani 1.0 4 d . . .
C3 C 0.1169(8) 0.2846(7) 0.2171(4) 0.049(2) Uani 1.0 4 d . . .
C4 C 0.0992(7) 0.3859(8) 0.2230(3) 0.046(2) Uani 1.0 4 d . . .
C5 C 0.1524(7) 0.4543(7) 0.1979(3) 0.0381(18) Uani 1.0 4 d . . .
C6 C 0.1376(6) 0.5629(7) 0.2016(3) 0.0327(16) Uani 1.0 4 d . . .
C7 C 0.0675(7) 0.6075(7) 0.2293(3) 0.044(2) Uani 1.0 4 d . . .
C8 C 0.0568(7) 0.7062(7) 0.2291(3) 0.049(2) Uani 1.0 4 d . . .
C9 C 0.1188(8) 0.7628(7) 0.2033(3) 0.0453(19) Uani 1.0 4 d . . .
C10 C 0.1881(6) 0.7147(6) 0.1745(3) 0.0361(16) Uani 1.0 4 d . . .
C11 C 0.1027(6) 0.3042(7) 0.0442(3) 0.0359(16) Uani 1.0 4 d . . .
C12 C 0.0647(7) 0.2084(6) 0.0518(3) 0.0441(18) Uani 1.0 4 d . . .
C13 C -0.0210(7) 0.1985(7) 0.0798(3) 0.0463(19) Uani 1.0 4 d . . .
C14 C -0.0664(7) 0.2803(6) 0.0965(3) 0.0390(17) Uani 1.0 4 d . . .
C15 C -0.0258(6) 0.3754(6) 0.0871(3) 0.0306(15) Uani 1.0 4 d . . .
C16 C -0.0707(6) 0.4686(6) 0.1022(3) 0.0301(16) Uani 1.0 4 d . . .
C17 C -0.1557(7) 0.4753(6) 0.1303(3) 0.0361(18) Uani 1.0 4 d . . .
C18 C -0.1972(7) 0.5667(7) 0.1413(3) 0.0427(19) Uani 1.0 4 d . . .
C19 C -0.1539(7) 0.6481(7) 0.1237(3) 0.0446(19) Uani 1.0 4 d . . .
C20 C -0.0688(7) 0.6400(7) 0.0960(3) 0.0406(18) Uani 1.0 4 d . . .
C21 C 0.3680(6) 0.4408(6) 0.0485(3) 0.0343(15) Uani 1.0 4 d . . .
C22 C 0.4480(7) 0.3922(8) 0.0242(3) 0.047(2) Uani 1.0 4 d . . .
C23 C 0.5430(7) 0.3503(8) 0.0525(3) 0.055(3) Uani 1.0 4 d . . .
C24 C 0.5619(6) 0.3561(7) 0.1053(3) 0.0439(19) Uani 1.0 4 d . . .
C25 C 0.4804(6) 0.4035(7) 0.1255(3) 0.0387(17) Uani 1.0 4 d . . .
C26 C 0.2958(6) 0.7079(6) 0.0653(3) 0.0338(15) Uani 1.0 4 d . . .
C27 C 0.3488(7) 0.7887(6) 0.0456(3) 0.0405(17) Uani 1.0 4 d . . .
C28 C 0.4613(7) 0.8080(8) 0.0632(4) 0.052(3) Uani 1.0 4 d . . .
C29 C 0.5212(7) 0.7530(7) 0.1020(4) 0.049(2) Uani 1.0 4 d . . .
C30 C 0.4677(7) 0.6770(7) 0.1205(3) 0.0444(19) Uani 1.0 4 d . . .
C31 C 0.5048(7) 0.5331(7) 0.2505(4) 0.045(2) Uani 1.0 4 d . . .
C32 C 0.5906(9) 0.5287(7) 0.2974(4) 0.058(3) Uani 1.0 4 d . . .
C33 C 0.1800(14) 0.9818(9) 0.1388(6) 0.077(4) Uani 1.0 4 d . . .
C34 C 0.1689(11) 0.9599(8) 0.0886(5) 0.071(3) Uani 1.0 4 d . . .
C35 C 0.4605(16) 0.1124(13) 0.1290(7) 0.052(5) Uani 0.5000 4 d . . .
C36 C 0.5704(18) 0.0636(19) 0.1383(10) 0.075(7) Uani 0.5000 4 d . . .
H1 H 0.2878 0.3074 0.1394 0.0484 Uiso 1.0 4 calc R . .
H2 H 0.2033 0.1860 0.1815 0.0531 Uiso 1.0 4 calc R . .
H3 H 0.0800 0.2373 0.2342 0.0585 Uiso 1.0 4 calc R . .
H4 H 0.0505 0.4077 0.2444 0.0552 Uiso 1.0 4 calc R . .
H5 H 0.0266 0.5683 0.2486 0.0531 Uiso 1.0 4 calc R . .
H6 H 0.0057 0.7366 0.2472 0.0582 Uiso 1.0 4 calc R . .
H7 H 0.1155 0.8329 0.2045 0.0543 Uiso 1.0 4 calc R . .
H8 H 0.2297 0.7532 0.1552 0.0433 Uiso 1.0 4 calc R . .
H9 H 0.1626 0.3116 0.0262 0.0430 Uiso 1.0 4 calc R . .
H10 H 0.0959 0.1522 0.0384 0.0529 Uiso 1.0 4 calc R . .
H11 H -0.0470 0.1347 0.0869 0.0555 Uiso 1.0 4 calc R . .
H12 H -0.1261 0.2739 0.1147 0.0468 Uiso 1.0 4 calc R . .
H13 H -0.1854 0.4167 0.1421 0.0433 Uiso 1.0 4 calc R . .
H14 H -0.2547 0.5717 0.1607 0.0513 Uiso 1.0 4 calc R . .
H15 H -0.1817 0.7115 0.1303 0.0535 Uiso 1.0 4 calc R . .
H16 H -0.0399 0.6982 0.0835 0.0487 Uiso 1.0 4 calc R . .
H17 H 0.4353 0.3891 -0.0111 0.0564 Uiso 1.0 4 calc R . .
H18 H 0.5967 0.3171 0.0369 0.0657 Uiso 1.0 4 calc R . .
H19 H 0.6281 0.3283 0.1255 0.0527 Uiso 1.0 4 calc R . .
H20 H 0.4904 0.4061 0.1607 0.0465 Uiso 1.0 4 calc R . .
H21 H 0.3059 0.8290 0.0202 0.0485 Uiso 1.0 4 calc R . .
H22 H 0.4986 0.8593 0.0489 0.0622 Uiso 1.0 4 calc R . .
H23 H 0.5988 0.7681 0.1157 0.0590 Uiso 1.0 4 calc R . .
H24 H 0.5100 0.6380 0.1466 0.0532 Uiso 1.0 4 calc R . .
H25 H 0.6108 0.5960 0.3092 0.0696 Uiso 1.0 4 calc R . .
H26 H 0.6591 0.4944 0.2916 0.0696 Uiso 1.0 4 calc R . .
H27 H 0.5586 0.4927 0.3225 0.0696 Uiso 1.0 4 calc R . .
H28 H 0.0948 0.9839 0.0704 0.0850 Uiso 1.0 4 calc R . .
H29 H 0.1736 0.8882 0.0842 0.0850 Uiso 1.0 4 calc R . .
H30 H 0.2304 0.9923 0.0756 0.0850 Uiso 1.0 4 calc R . .
H31 H 0.5603 -0.0062 0.1288 0.0895 Uiso 0.5000 4 calc R . .
H32 H 0.6048 0.0683 0.1737 0.0895 Uiso 0.5000 4 calc R . .
H33 H 0.6206 0.0954 0.1187 0.0895 Uiso 0.5000 4 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2013)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pt1 Cu1 2.8134(9) yes . .
Pt1 S1 2.292(3) yes . .
Pt1 S2 2.275(2) yes . .
Pt1 N3 2.051(6) yes . .
Pt1 N4 2.066(6) yes . .
Cu1 N1 2.023(7) yes . .
Cu1 N2 2.034(7) yes . .
Cu1 N5 2.037(7) yes . .
Cu1 N6 2.032(7) yes . .
S1 C21 1.743(7) yes . .
S2 C26 1.745(7) yes . .
P1 F1 1.559(10) yes . .
P1 F2 1.545(10) yes . .
P1 F3 1.555(8) yes . .
P1 F4 1.565(8) yes . .
P1 F5 1.606(7) yes . .
P1 F6 1.575(7) yes . .
P2 F7 1.574(8) yes . .
P2 F8 1.573(8) yes . .
P2 F9 1.582(9) yes . .
P2 F10 1.556(9) yes . .
P2 F11 1.582(10) yes . .
P2 F12 1.590(8) yes . .
N1 C1 1.341(11) yes . .
N1 C5 1.364(11) yes . .
N2 C6 1.347(10) yes . .
N2 C10 1.334(11) yes . .
N3 C11 1.311(11) yes . .
N3 C15 1.377(10) yes . .
N4 C16 1.355(10) yes . .
N4 C20 1.333(11) yes . .
N5 C21 1.341(10) yes . .
N5 C25 1.350(9) yes . .
N6 C26 1.343(9) yes . .
N6 C30 1.361(10) yes . .
N7 C31 1.146(12) yes . .
N8 C33 1.17(3) yes . .
N9 C35 1.06(3) yes . .
C1 C2 1.401(13) yes . .
C2 C3 1.388(13) yes . .
C3 C4 1.401(14) yes . .
C4 C5 1.380(13) yes . .
C5 C6 1.484(13) yes . .
C6 C7 1.375(12) yes . .
C7 C8 1.342(14) yes . .
C8 C9 1.357(13) yes . .
C9 C10 1.409(13) yes . .
C11 C12 1.403(12) yes . .
C12 C13 1.400(13) yes . .
C13 C14 1.351(12) yes . .
C14 C15 1.416(11) yes . .
C15 C16 1.461(11) yes . .
C16 C17 1.392(12) yes . .
C17 C18 1.387(12) yes . .
C18 C19 1.346(13) yes . .
C19 C20 1.386(12) yes . .
C21 C22 1.429(12) yes . .
C22 C23 1.365(11) yes . .
C23 C24 1.423(12) yes . .
C24 C25 1.369(12) yes . .
C26 C27 1.422(12) yes . .
C27 C28 1.359(11) yes . .
C28 C29 1.376(12) yes . .
C29 C30 1.360(13) yes . .
C31 C32 1.480(13) yes . .
C33 C34 1.391(19) yes . .
C35 C36 1.44(3) yes . .
C1 H1 0.950 no . .
C2 H2 0.950 no . .
C3 H3 0.950 no . .
C4 H4 0.950 no . .
C7 H5 0.950 no . .
C8 H6 0.950 no . .
C9 H7 0.950 no . .
C10 H8 0.950 no . .
C11 H9 0.950 no . .
C12 H10 0.950 no . .
C13 H11 0.950 no . .
C14 H12 0.950 no . .
C17 H13 0.950 no . .
C18 H14 0.950 no . .
C19 H15 0.950 no . .
C20 H16 0.950 no . .
C22 H17 0.950 no . .
C23 H18 0.950 no . .
C24 H19 0.950 no . .
C25 H20 0.950 no . .
C27 H21 0.950 no . .
C28 H22 0.950 no . .
C29 H23 0.950 no . .
C30 H24 0.950 no . .
C32 H25 0.980 no . .
C32 H26 0.980 no . .
C32 H27 0.980 no . .
C34 H28 0.980 no . .
C34 H29 0.980 no . .
C34 H30 0.980 no . .
C36 H31 0.980 no . .
C36 H32 0.980 no . .
C36 H33 0.980 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Cu1 Pt1 S1 83.68(5) yes . . .
Cu1 Pt1 S2 83.80(5) yes . . .
Cu1 Pt1 N3 97.63(15) yes . . .
Cu1 Pt1 N4 99.81(15) yes . . .
S1 Pt1 S2 87.66(8) yes . . .
S1 Pt1 N3 96.68(19) yes . . .
S1 Pt1 N4 175.63(17) yes . . .
S2 Pt1 N3 175.54(18) yes . . .
S2 Pt1 N4 95.30(19) yes . . .
N3 Pt1 N4 80.3(3) yes . . .
Pt1 Cu1 N1 91.19(15) yes . . .
Pt1 Cu1 N2 92.00(15) yes . . .
Pt1 Cu1 N5 90.50(16) yes . . .
Pt1 Cu1 N6 89.78(16) yes . . .
N1 Cu1 N2 80.7(3) yes . . .
N1 Cu1 N5 94.9(3) yes . . .
N1 Cu1 N6 176.4(3) yes . . .
N2 Cu1 N5 175.0(3) yes . . .
N2 Cu1 N6 95.8(3) yes . . .
N5 Cu1 N6 88.6(3) yes . . .
Pt1 S1 C21 110.0(3) yes . . .
Pt1 S2 C26 108.5(3) yes . . .
F1 P1 F2 177.4(6) yes . . .
F1 P1 F3 90.6(5) yes . . .
F1 P1 F4 90.0(5) yes . . .
F1 P1 F5 88.2(5) yes . . .
F1 P1 F6 93.4(5) yes . . .
F2 P1 F3 89.2(6) yes . . .
F2 P1 F4 90.1(6) yes . . .
F2 P1 F5 89.2(5) yes . . .
F2 P1 F6 89.1(5) yes . . .
F3 P1 F4 178.8(5) yes . . .
F3 P1 F5 87.5(4) yes . . .
F3 P1 F6 92.2(4) yes . . .
F4 P1 F5 91.6(4) yes . . .
F4 P1 F6 88.7(4) yes . . .
F5 P1 F6 178.3(5) yes . . .
F7 P2 F8 177.4(5) yes . . .
F7 P2 F9 88.9(6) yes . . .
F7 P2 F10 89.3(5) yes . . .
F7 P2 F11 89.2(5) yes . . .
F7 P2 F12 88.6(5) yes . . .
F8 P2 F9 89.5(6) yes . . .
F8 P2 F10 92.2(5) yes . . .
F8 P2 F11 92.9(5) yes . . .
F8 P2 F12 89.3(5) yes . . .
F9 P2 F10 177.6(6) yes . . .
F9 P2 F11 90.6(5) yes . . .
F9 P2 F12 89.3(5) yes . . .
F10 P2 F11 90.9(5) yes . . .
F10 P2 F12 89.1(5) yes . . .
F11 P2 F12 177.8(5) yes . . .
Cu1 N1 C1 126.6(6) yes . . .
Cu1 N1 C5 114.2(6) yes . . .
C1 N1 C5 119.2(7) yes . . .
Cu1 N2 C6 115.2(6) yes . . .
Cu1 N2 C10 126.3(6) yes . . .
C6 N2 C10 118.5(7) yes . . .
Pt1 N3 C11 127.0(6) yes . . .
Pt1 N3 C15 113.9(5) yes . . .
C11 N3 C15 119.1(7) yes . . .
Pt1 N4 C16 113.6(5) yes . . .
Pt1 N4 C20 126.5(6) yes . . .
C16 N4 C20 119.9(7) yes . . .
Cu1 N5 C21 121.6(5) yes . . .
Cu1 N5 C25 118.3(5) yes . . .
C21 N5 C25 119.5(7) yes . . .
Cu1 N6 C26 123.6(5) yes . . .
Cu1 N6 C30 117.0(5) yes . . .
C26 N6 C30 119.4(7) yes . . .
N1 C1 C2 123.1(8) yes . . .
C1 C2 C3 117.7(8) yes . . .
C2 C3 C4 119.1(9) yes . . .
C3 C4 C5 120.3(9) yes . . .
N1 C5 C4 120.6(8) yes . . .
N1 C5 C6 115.6(8) yes . . .
C4 C5 C6 123.8(8) yes . . .
N2 C6 C5 114.3(7) yes . . .
N2 C6 C7 121.3(8) yes . . .
C5 C6 C7 124.4(8) yes . . .
C6 C7 C8 120.2(9) yes . . .
C7 C8 C9 120.1(9) yes . . .
C8 C9 C10 118.2(9) yes . . .
N2 C10 C9 121.6(8) yes . . .
N3 C11 C12 123.8(7) yes . . .
C11 C12 C13 117.5(8) yes . . .
C12 C13 C14 119.6(8) yes . . .
C13 C14 C15 120.5(8) yes . . .
N3 C15 C14 119.6(7) yes . . .
N3 C15 C16 115.4(7) yes . . .
C14 C15 C16 125.0(7) yes . . .
N4 C16 C15 116.4(7) yes . . .
N4 C16 C17 119.4(7) yes . . .
C15 C16 C17 124.1(7) yes . . .
C16 C17 C18 120.5(8) yes . . .
C17 C18 C19 118.3(8) yes . . .
C18 C19 C20 120.4(9) yes . . .
N4 C20 C19 121.4(8) yes . . .
S1 C21 N5 124.8(6) yes . . .
S1 C21 C22 114.5(6) yes . . .
N5 C21 C22 120.7(7) yes . . .
C21 C22 C23 118.7(8) yes . . .
C22 C23 C24 120.3(8) yes . . .
C23 C24 C25 117.1(7) yes . . .
N5 C25 C24 123.6(7) yes . . .
S2 C26 N6 122.6(6) yes . . .
S2 C26 C27 117.4(5) yes . . .
N6 C26 C27 119.7(6) yes . . .
C26 C27 C28 119.5(8) yes . . .
C27 C28 C29 119.9(9) yes . . .
C28 C29 C30 119.1(8) yes . . .
N6 C30 C29 122.3(8) yes . . .
N7 C31 C32 176.9(11) yes . . .
N8 C33 C34 178.7(17) yes . . .
N9 C35 C36 174(3) yes . . .
N1 C1 H1 118.462 no . . .
C2 C1 H1 118.457 no . . .
C1 C2 H2 121.139 no . . .
C3 C2 H2 121.126 no . . .
C2 C3 H3 120.459 no . . .
C4 C3 H3 120.451 no . . .
C3 C4 H4 119.874 no . . .
C5 C4 H4 119.859 no . . .
C6 C7 H5 119.880 no . . .
C8 C7 H5 119.876 no . . .
C7 C8 H6 119.962 no . . .
C9 C8 H6 119.970 no . . .
C8 C9 H7 120.911 no . . .
C10 C9 H7 120.902 no . . .
N2 C10 H8 119.191 no . . .
C9 C10 H8 119.181 no . . .
N3 C11 H9 118.089 no . . .
C12 C11 H9 118.105 no . . .
C11 C12 H10 121.276 no . . .
C13 C12 H10 121.274 no . . .
C12 C13 H11 120.214 no . . .
C14 C13 H11 120.225 no . . .
C13 C14 H12 119.768 no . . .
C15 C14 H12 119.764 no . . .
C16 C17 H13 119.738 no . . .
C18 C17 H13 119.728 no . . .
C17 C18 H14 120.862 no . . .
C19 C18 H14 120.876 no . . .
C18 C19 H15 119.804 no . . .
C20 C19 H15 119.793 no . . .
N4 C20 H16 119.288 no . . .
C19 C20 H16 119.287 no . . .
C21 C22 H17 120.654 no . . .
C23 C22 H17 120.657 no . . .
C22 C23 H18 119.843 no . . .
C24 C23 H18 119.842 no . . .
C23 C24 H19 121.455 no . . .
C25 C24 H19 121.452 no . . .
N5 C25 H20 118.182 no . . .
C24 C25 H20 118.181 no . . .
C26 C27 H21 120.249 no . . .
C28 C27 H21 120.239 no . . .
C27 C28 H22 120.066 no . . .
C29 C28 H22 120.077 no . . .
C28 C29 H23 120.436 no . . .
C30 C29 H23 120.427 no . . .
N6 C30 H24 118.854 no . . .
C29 C30 H24 118.850 no . . .
C31 C32 H25 109.470 no . . .
C31 C32 H26 109.489 no . . .
C31 C32 H27 109.468 no . . .
H25 C32 H26 109.474 no . . .
H25 C32 H27 109.462 no . . .
H26 C32 H27 109.464 no . . .
C33 C34 H28 109.476 no . . .
C33 C34 H29 109.482 no . . .
C33 C34 H30 109.476 no . . .
H28 C34 H29 109.473 no . . .
H28 C34 H30 109.459 no . . .
H29 C34 H30 109.461 no . . .
C35 C36 H31 109.474 no . . .
C35 C36 H32 109.470 no . . .
C35 C36 H33 109.471 no . . .
H31 C36 H32 109.473 no . . .
H31 C36 H33 109.469 no . . .
H32 C36 H33 109.469 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Cu1 Pt1 S1 C21 24.35(10) no . . . .
S1 Pt1 Cu1 N1 -118.79(7) no . . . .
S1 Pt1 Cu1 N2 160.45(7) no . . . .
S1 Pt1 Cu1 N5 -23.89(7) no . . . .
S1 Pt1 Cu1 N6 64.68(7) no . . . .
Cu1 Pt1 S2 C26 30.41(9) no . . . .
S2 Pt1 Cu1 N1 152.88(6) no . . . .
S2 Pt1 Cu1 N2 72.12(6) no . . . .
S2 Pt1 Cu1 N5 -112.21(6) no . . . .
S2 Pt1 Cu1 N6 -23.65(6) no . . . .
Cu1 Pt1 N3 C11 -85.7(4) no . . . .
Cu1 Pt1 N3 C15 94.0(3) no . . . .
N3 Pt1 Cu1 N1 -22.87(18) no . . . .
N3 Pt1 Cu1 N2 -103.63(18) no . . . .
N3 Pt1 Cu1 N5 72.04(18) no . . . .
N3 Pt1 Cu1 N6 160.60(18) no . . . .
Cu1 Pt1 N4 C16 -89.8(3) no . . . .
Cu1 Pt1 N4 C20 87.5(4) no . . . .
N4 Pt1 Cu1 N1 58.55(19) no . . . .
N4 Pt1 Cu1 N2 -22.21(18) no . . . .
N4 Pt1 Cu1 N5 153.45(18) no . . . .
N4 Pt1 Cu1 N6 -117.98(18) no . . . .
S1 Pt1 S2 C26 -53.48(10) no . . . .
S2 Pt1 S1 C21 108.36(11) no . . . .
S1 Pt1 N3 C11 -1.2(5) no . . . .
S1 Pt1 N3 C15 178.5(3) no . . . .
N3 Pt1 S1 C21 -72.63(18) no . . . .
S2 Pt1 N4 C16 -174.4(3) no . . . .
S2 Pt1 N4 C20 2.9(4) no . . . .
N4 Pt1 S2 C26 129.74(17) no . . . .
N3 Pt1 N4 C16 6.3(4) no . . . .
N3 Pt1 N4 C20 -176.4(5) no . . . .
N4 Pt1 N3 C11 175.6(5) no . . . .
N4 Pt1 N3 C15 -4.7(4) no . . . .
Pt1 Cu1 N1 C1 86.8(4) no . . . .
Pt1 Cu1 N1 C5 -91.4(3) no . . . .
Pt1 Cu1 N2 C6 90.6(4) no . . . .
Pt1 Cu1 N2 C10 -88.8(4) no . . . .
Pt1 Cu1 N5 C21 24.8(5) no . . . .
Pt1 Cu1 N5 C25 -164.1(4) no . . . .
Pt1 Cu1 N6 C26 15.5(5) no . . . .
Pt1 Cu1 N6 C30 -161.4(4) no . . . .
N1 Cu1 N2 C6 -0.3(4) no . . . .
N1 Cu1 N2 C10 -179.7(5) no . . . .
N2 Cu1 N1 C1 178.6(5) no . . . .
N2 Cu1 N1 C5 0.4(4) no . . . .
N1 Cu1 N5 C21 116.0(5) no . . . .
N1 Cu1 N5 C25 -72.9(5) no . . . .
N5 Cu1 N1 C1 -3.8(5) no . . . .
N5 Cu1 N1 C5 178.0(4) no . . . .
N2 Cu1 N6 C26 -76.5(5) no . . . .
N2 Cu1 N6 C30 106.6(5) no . . . .
N6 Cu1 N2 C6 -179.4(4) no . . . .
N6 Cu1 N2 C10 1.1(5) no . . . .
N5 Cu1 N6 C26 106.0(5) no . . . .
N5 Cu1 N6 C30 -70.9(5) no . . . .
N6 Cu1 N5 C21 -65.0(5) no . . . .
N6 Cu1 N5 C25 106.1(5) no . . . .
Pt1 S1 C21 N5 -17.1(7) no . . . .
Pt1 S1 C21 C22 164.3(4) no . . . .
Pt1 S2 C26 N6 -32.5(7) no . . . .
Pt1 S2 C26 C27 153.8(4) no . . . .
Cu1 N1 C1 C2 -179.6(4) no . . . .
Cu1 N1 C5 C4 179.4(4) no . . . .
Cu1 N1 C5 C6 -0.5(7) no . . . .
C1 N1 C5 C4 1.1(9) no . . . .
C1 N1 C5 C6 -178.8(5) no . . . .
C5 N1 C1 C2 -1.5(9) no . . . .
Cu1 N2 C6 C5 0.1(7) no . . . .
Cu1 N2 C6 C7 -177.9(4) no . . . .
Cu1 N2 C10 C9 179.1(4) no . . . .
C6 N2 C10 C9 -0.4(9) no . . . .
C10 N2 C6 C5 179.6(5) no . . . .
C10 N2 C6 C7 1.6(9) no . . . .
Pt1 N3 C11 C12 -179.7(4) no . . . .
Pt1 N3 C15 C14 -179.4(4) no . . . .
Pt1 N3 C15 C16 2.4(6) no . . . .
C11 N3 C15 C14 0.4(9) no . . . .
C11 N3 C15 C16 -177.8(5) no . . . .
C15 N3 C11 C12 0.6(9) no . . . .
Pt1 N4 C16 C15 -7.0(7) no . . . .
Pt1 N4 C16 C17 174.3(4) no . . . .
Pt1 N4 C20 C19 -174.3(4) no . . . .
C16 N4 C20 C19 2.9(10) no . . . .
C20 N4 C16 C15 175.5(6) no . . . .
C20 N4 C16 C17 -3.1(9) no . . . .
Cu1 N5 C21 S1 -9.8(10) no . . . .
Cu1 N5 C21 C22 168.6(5) no . . . .
Cu1 N5 C25 C24 -168.4(5) no . . . .
C21 N5 C25 C24 2.9(12) no . . . .
C25 N5 C21 S1 179.2(6) no . . . .
C25 N5 C21 C22 -2.3(11) no . . . .
Cu1 N6 C26 S2 7.5(10) no . . . .
Cu1 N6 C26 C27 -179.0(4) no . . . .
Cu1 N6 C30 C29 178.5(6) no . . . .
C26 N6 C30 C29 1.4(12) no . . . .
C30 N6 C26 S2 -175.7(6) no . . . .
C30 N6 C26 C27 -2.1(11) no . . . .
N1 C1 C2 C3 1.3(10) no . . . .
C1 C2 C3 C4 -0.7(11) no . . . .
C2 C3 C4 C5 0.4(11) no . . . .
C3 C4 C5 N1 -0.5(11) no . . . .
C3 C4 C5 C6 179.4(6) no . . . .
N1 C5 C6 N2 0.3(8) no . . . .
N1 C5 C6 C7 178.2(6) no . . . .
C4 C5 C6 N2 -179.6(6) no . . . .
C4 C5 C6 C7 -1.7(11) no . . . .
N2 C6 C7 C8 -0.1(10) no . . . .
C5 C6 C7 C8 -177.9(6) no . . . .
C6 C7 C8 C9 -2.7(11) no . . . .
C7 C8 C9 C10 3.9(11) no . . . .
C8 C9 C10 N2 -2.4(11) no . . . .
N3 C11 C12 C13 -2.1(10) no . . . .
C11 C12 C13 C14 2.6(10) no . . . .
C12 C13 C14 C15 -1.8(11) no . . . .
C13 C14 C15 N3 0.3(10) no . . . .
C13 C14 C15 C16 178.3(6) no . . . .
N3 C15 C16 N4 3.1(9) no . . . .
N3 C15 C16 C17 -178.3(6) no . . . .
C14 C15 C16 N4 -175.0(6) no . . . .
C14 C15 C16 C17 3.6(11) no . . . .
N4 C16 C17 C18 1.5(10) no . . . .
C15 C16 C17 C18 -177.1(6) no . . . .
C16 C17 C18 C19 0.5(11) no . . . .
C17 C18 C19 C20 -0.9(10) no . . . .
C18 C19 C20 N4 -0.8(11) no . . . .
S1 C21 C22 C23 179.9(6) no . . . .
N5 C21 C22 C23 1.2(12) no . . . .
C21 C22 C23 C24 -0.6(14) no . . . .
C22 C23 C24 C25 1.0(13) no . . . .
C23 C24 C25 N5 -2.2(13) no . . . .
S2 C26 C27 C28 177.3(5) no . . . .
N6 C26 C27 C28 3.4(11) no . . . .
C26 C27 C28 C29 -3.8(13) no . . . .
C27 C28 C29 C30 3.1(14) no . . . .
C28 C29 C30 N6 -1.9(14) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
S1 N6 3.447(7) no . .
S1 C11 3.341(9) no . .
S1 C26 3.310(8) no . .
S2 C10 3.562(8) no . .
S2 C20 3.294(9) no . .
N1 N3 3.229(8) no . .
N1 C3 2.781(12) no . .
N1 C15 3.398(8) no . .
N1 C25 3.490(10) no . .
N2 N4 3.330(8) no . .
N2 C8 2.751(12) no . .
N2 C20 3.470(9) no . .
N3 C1 3.240(9) no . .
N3 C13 2.782(11) no . .
N4 C6 3.378(9) no . .
N4 C18 2.762(11) no . .
N5 C1 3.145(11) no . .
N5 C23 2.770(12) no . .
N5 C30 3.279(12) no . .
N6 C10 3.173(11) no . .
N6 C21 3.271(11) no . .
N6 C28 2.758(12) no . .
C1 C4 2.721(12) no . .
C1 C11 3.322(10) no . .
C1 C15 3.472(9) no . .
C1 C25 3.375(11) no . .
C2 C5 2.771(13) no . .
C2 C13 3.530(11) no . .
C2 C14 3.534(11) no . .
C3 C14 3.591(11) no . .
C4 C7 3.029(14) no . .
C5 C15 3.516(10) no . .
C5 C16 3.356(10) no . .
C6 C9 2.715(13) no . .
C6 C16 3.546(10) no . .
C6 C20 3.571(10) no . .
C7 C10 2.697(12) no . .
C7 C19 3.559(10) no . .
C8 C19 3.528(11) no . .
C10 C20 3.531(10) no . .
C10 C26 3.486(12) no . .
C11 C14 2.715(12) no . .
C12 C15 2.760(12) no . .
C14 C17 3.056(12) no . .
C16 C19 2.731(12) no . .
C17 C20 2.704(12) no . .
C21 C24 2.770(10) no . .
C22 C25 2.736(11) no . .
C26 C29 2.747(11) no . .
C27 C30 2.716(11) no . .
Pt1 Pt1 3.5153(6) yes . 3_565
Pt1 N3 3.533(6) no . 3_565
Cu1 N7 2.542(8) yes . .
S1 N4 3.396(6) no . 3_565
S1 C16 3.400(8) no . 3_565
S2 N3 3.548(6) no . 3_565
S2 C11 3.461(7) no . 3_565
S2 C12 3.548(8) no . 3_565
F1 C4 3.418(13) no . 1_655
F1 C17 3.383(13) no . 1_655
F2 C8 3.467(15) no . 2_545
F2 C18 3.496(13) no . 2_545
F2 C32 3.512(15) no . 2_645
F2 C36 3.56(3) no . .
F3 N7 3.404(13) no . 2_645
F3 C3 3.379(13) no . 1_655
F3 C29 3.439(11) no . 2_645
F3 C30 3.254(11) no . 2_645
F3 C31 3.220(14) no . 2_645
F3 C32 3.499(15) no . 2_645
F4 C8 3.488(13) no . 2_545
F4 C24 3.208(11) no . .
F4 C25 3.176(10) no . .
F4 C31 3.400(13) no . .
F4 C32 3.517(14) no . .
F5 C14 3.370(11) no . 1_655
F5 C17 3.429(11) no . 1_655
F5 C24 3.590(10) no . .
F5 C32 3.437(12) no . 2_645
F6 F12 3.102(9) no . 2_645
F6 C19 3.328(12) no . 2_545
F6 C29 3.589(10) no . 2_645
F6 C32 3.464(13) no . .
F7 C13 3.113(12) no . 1_665
F7 C32 3.236(14) no . 2_655
F7 C36 3.29(3) no . 1_565
F8 C11 3.235(12) no . 3_665
F8 C12 3.169(13) no . 3_665
F8 C19 3.589(12) no . 1_655
F8 C20 3.472(11) no . 1_655
F9 C20 3.593(16) no . 1_655
F9 C32 3.412(15) no . 2_655
F9 C33 3.466(17) no . 1_655
F9 C34 3.301(16) no . 1_655
F11 C12 3.515(12) no . 3_665
F11 C13 3.429(12) no . 1_665
F11 C34 3.046(15) no . 3_675
F12 F6 3.102(9) no . 2_655
F12 C28 3.190(10) no . .
F12 C29 3.037(11) no . .
F12 C36 3.27(3) no . 1_565
N1 N7 3.079(10) no . .
N2 N7 3.094(9) no . .
N3 Pt1 3.533(6) no . 3_565
N3 S2 3.548(6) no . 3_565
N4 S1 3.396(6) no . 3_565
N5 N7 3.336(11) no . .
N6 N7 3.386(10) no . .
N7 Cu1 2.542(8) no . .
N7 F3 3.404(13) no . 2_655
N7 N1 3.079(10) no . .
N7 N2 3.094(9) no . .
N7 N5 3.336(11) no . .
N7 N6 3.386(10) no . .
N7 C5 3.581(11) no . .
N7 C6 3.592(10) no . .
N7 C25 3.131(12) no . .
N7 C30 3.222(13) no . .
N8 N9 3.52(3) no . 1_565
N8 C2 3.427(17) no . 1_565
N8 C5 3.529(17) no . 2_555
N8 C6 3.554(16) no . 2_555
N8 C9 3.420(17) no . .
N8 C31 3.30(2) no . 2_555
N8 C32 3.55(2) no . 2_555
N9 N8 3.52(3) no . 1_545
N9 C1 3.24(2) no . .
N9 C2 3.40(2) no . .
N9 C33 3.29(3) no . 1_545
N9 C34 3.52(2) no . 1_545
C1 N9 3.24(2) no . .
C2 N8 3.427(17) no . 1_545
C2 N9 3.40(2) no . .
C2 C8 3.504(11) no . 2_545
C2 C9 3.432(11) no . 2_545
C3 F3 3.379(13) no . 1_455
C3 C9 3.478(11) no . 2_545
C3 C10 3.525(11) no . 2_545
C4 F1 3.418(13) no . 1_455
C5 N7 3.581(11) no . .
C5 N8 3.529(17) no . 2_545
C6 N7 3.592(10) no . .
C6 N8 3.554(16) no . 2_545
C8 F2 3.467(15) no . 2_555
C8 F4 3.488(13) no . 2_555
C8 C2 3.504(11) no . 2_555
C9 N8 3.420(17) no . .
C9 C2 3.432(11) no . 2_555
C9 C3 3.478(11) no . 2_555
C9 C33 3.597(16) no . .
C10 C3 3.525(11) no . 2_555
C11 S2 3.461(7) no . 3_565
C11 F8 3.235(12) no . 3_665
C12 S2 3.548(8) no . 3_565
C12 F8 3.169(13) no . 3_665
C12 F11 3.515(12) no . 3_665
C13 F7 3.113(12) no . 1_445
C13 F11 3.429(12) no . 1_445
C14 F5 3.370(11) no . 1_455
C16 S1 3.400(8) no . 3_565
C17 F1 3.383(13) no . 1_455
C17 F5 3.429(11) no . 1_455
C18 F2 3.496(13) no . 2_555
C19 F6 3.328(12) no . 2_555
C19 F8 3.589(12) no . 1_455
C20 F8 3.472(11) no . 1_455
C20 F9 3.593(16) no . 1_455
C22 C22 3.528(14) no . 3_665
C24 F4 3.208(11) no . .
C24 F5 3.590(10) no . .
C25 F4 3.176(10) no . .
C25 N7 3.131(12) no . .
C27 C34 3.514(15) no . .
C28 F12 3.190(10) no . .
C29 F3 3.439(11) no . 2_655
C29 F6 3.589(10) no . 2_655
C29 F12 3.037(11) no . .
C30 F3 3.254(11) no . 2_655
C30 N7 3.222(13) no . .
C31 F3 3.220(14) no . 2_655
C31 F4 3.400(13) no . .
C31 N8 3.30(2) no . 2_545
C32 F2 3.512(15) no . 2_655
C32 F3 3.499(15) no . 2_655
C32 F4 3.517(14) no . .
C32 F5 3.437(12) no . 2_655
C32 F6 3.464(13) no . .
C32 F7 3.236(14) no . 2_645
C32 F9 3.412(15) no . 2_645
C32 N8 3.55(2) no . 2_545
C33 F9 3.466(17) no . 1_455
C33 N9 3.29(3) no . 1_565
C33 C9 3.597(16) no . .
C34 F9 3.301(16) no . 1_455
C34 F11 3.046(15) no . 3_675
C34 N9 3.52(2) no . 1_565
C34 C27 3.514(15) no . .
C36 F2 3.56(3) no . .
C36 F7 3.29(3) no . 1_545
C36 F12 3.27(3) no . 1_545
Pt1 H9 3.0975 no . .
Pt1 H16 3.1411 no . .
Cu1 H1 3.1009 no . .
Cu1 H8 3.1086 no . .
Cu1 H20 2.9348 no . .
Cu1 H24 2.9108 no . .
S1 H9 2.7319 no . .
S1 H17 2.7453 no . .
S2 H8 3.1549 no . .
S2 H16 2.7103 no . .
S2 H21 2.8002 no . .
N1 H2 3.2611 no . .
N1 H4 3.2377 no . .
N1 H20 3.2349 no . .
N2 H5 3.2238 no . .
N2 H7 3.2472 no . .
N2 H16 3.5477 no . .
N3 H1 3.2885 no . .
N3 H10 3.2408 no . .
N3 H12 3.2686 no . .
N4 H13 3.2272 no . .
N4 H15 3.2196 no . .
N5 H1 2.5990 no . .
N5 H9 3.5110 no . .
N5 H17 3.2601 no . .
N5 H19 3.2514 no . .
N5 H24 3.1357 no . .
N6 H8 2.6354 no . .
N6 H21 3.2451 no . .
N6 H23 3.2366 no . .
N7 H25 3.0837 no . .
N7 H26 3.0841 no . .
N7 H27 3.1113 no . .
N8 H28 3.0400 no . .
N8 H29 3.0379 no . .
N8 H30 3.0274 no . .
N9 H31 2.9620 no . .
N9 H32 2.9576 no . .
N9 H33 3.0100 no . .
C1 H3 3.2555 no . .
C1 H20 3.1780 no . .
C2 H4 3.2628 no . .
C3 H1 3.2415 no . .
C4 H2 3.2721 no . .
C4 H5 2.7502 no . .
C5 H1 3.1863 no . .
C5 H3 3.2694 no . .
C5 H5 2.7169 no . .
C6 H4 2.7102 no . .
C6 H6 3.2146 no . .
C6 H8 3.1629 no . .
C7 H4 2.7478 no . .
C7 H7 3.1996 no . .
C8 H8 3.2276 no . .
C8 H15 3.5240 no . .
C9 H5 3.1961 no . .
C9 H16 3.5650 no . .
C10 H6 3.2397 no . .
C10 H16 3.3198 no . .
C11 H1 3.0707 no . .
C11 H11 3.2619 no . .
C12 H1 3.4838 no . .
C12 H12 3.2388 no . .
C13 H2 3.4698 no . .
C13 H9 3.2489 no . .
C14 H10 3.2405 no . .
C14 H13 2.7727 no . .
C15 H9 3.1716 no . .
C15 H11 3.2647 no . .
C15 H13 2.7109 no . .
C16 H12 2.7519 no . .
C16 H14 3.2736 no . .
C16 H16 3.1816 no . .
C17 H12 2.7902 no . .
C17 H15 3.2104 no . .
C18 H5 3.5641 no . .
C18 H16 3.2199 no . .
C19 H13 3.2039 no . .
C20 H14 3.2355 no . .
C21 H1 3.3655 no . .
C21 H9 2.9731 no . .
C21 H18 3.2690 no . .
C21 H20 3.1719 no . .
C22 H9 3.5842 no . .
C22 H19 3.2799 no . .
C23 H20 3.2414 no . .
C24 H17 3.2831 no . .
C25 H1 2.7314 no . .
C25 H18 3.2436 no . .
C25 H24 3.2304 no . .
C26 H8 2.8010 no . .
C26 H22 3.2666 no . .
C26 H24 3.1860 no . .
C27 H23 3.2270 no . .
C28 H24 3.2139 no . .
C29 H21 3.2281 no . .
C30 H8 3.3306 no . .
C30 H22 3.2187 no . .
S1 H18 3.5299 no . 3_665
S2 H29 2.8981 no . .
P1 H6 3.4104 no . 2_545
P1 H13 3.4908 no . 1_655
P1 H19 3.4850 no . .
P1 H25 3.4718 no . 2_645
P1 H26 3.4098 no . .
P2 H10 3.3923 no . 3_665
P2 H11 3.3016 no . 1_665
P2 H27 3.5333 no . 2_655
P2 H33 3.5887 no . 1_565
F1 H4 2.6761 no . 1_655
F1 H5 3.3506 no . 1_655
F1 H13 2.8162 no . 1_655
F1 H14 3.3590 no . 1_655
F1 H26 2.9235 no . .
F1 H32 3.2526 no . 2_655
F2 H5 3.3320 no . 2_545
F2 H6 2.7837 no . 2_545
F2 H14 2.9069 no . 2_545
F2 H15 3.4799 no . 2_545
F2 H25 3.0519 no . 2_645
F2 H26 3.2520 no . 2_645
F2 H32 2.7079 no . .
F3 H3 2.6634 no . 1_655
F3 H4 3.1105 no . 1_655
F3 H14 3.5642 no . 2_545
F3 H23 3.1016 no . 2_645
F3 H24 2.7453 no . 2_645
F3 H25 2.9759 no . 2_645
F4 H6 2.5539 no . 2_545
F4 H13 3.4085 no . 1_655
F4 H19 2.6263 no . .
F4 H20 2.5141 no . .
F4 H26 2.8829 no . .
F5 H3 3.3103 no . 1_655
F5 H4 3.5837 no . 1_655
F5 H12 2.4999 no . 1_655
F5 H13 2.5212 no . 1_655
F5 H19 2.6489 no . .
F5 H25 2.5235 no . 2_645
F5 H32 3.5174 no . .
F5 H33 3.5266 no . .
F6 H6 3.1274 no . 2_545
F6 H14 3.3816 no . 2_545
F6 H15 2.5384 no . 2_545
F6 H23 2.7570 no . 2_645
F6 H26 2.6843 no . .
F6 H27 3.4386 no . .
F7 H11 2.2901 no . 1_665
F7 H12 3.3693 no . 1_665
F7 H21 3.4208 no . 3_675
F7 H25 2.9870 no . 2_655
F7 H26 3.3593 no . 2_655
F7 H27 2.8427 no . 2_655
F7 H31 3.2946 no . 1_565
F7 H33 2.5367 no . 1_565
F8 H9 2.6505 no . 3_665
F8 H10 2.5515 no . 3_665
F8 H15 3.1920 no . 1_655
F8 H16 2.9544 no . 1_655
F8 H22 3.5861 no . .
F9 H11 3.1856 no . 1_665
F9 H15 3.0345 no . 1_655
F9 H16 2.9018 no . 1_655
F9 H26 3.5795 no . 2_655
F9 H27 2.5494 no . 2_655
F9 H28 2.7261 no . 1_655
F9 H29 3.3088 no . 1_655
F10 H21 2.9286 no . 3_675
F10 H22 2.8568 no . .
F10 H22 3.4201 no . 3_675
F10 H30 3.1048 no . 3_675
F10 H31 3.5133 no . 1_565
F10 H33 3.3208 no . 1_565
F11 H10 3.5071 no . 1_665
F11 H10 2.5961 no . 3_665
F11 H11 2.7578 no . 1_665
F11 H21 3.2762 no . 3_675
F11 H28 2.8081 no . 1_655
F11 H28 2.6815 no . 3_675
F11 H29 3.3039 no . 3_675
F11 H30 2.6909 no . 3_675
F12 H15 2.8477 no . 1_655
F12 H22 2.6669 no . .
F12 H23 2.3481 no . .
F12 H26 3.5073 no . 2_655
F12 H27 3.4671 no . 2_655
F12 H31 2.6347 no . 1_565
F12 H33 3.0926 no . 1_565
N7 H3 3.0819 no . 2_555
N7 H20 2.4441 no . .
N7 H24 2.5298 no . .
N8 H2 2.5067 no . 1_565
N8 H4 3.5738 no . 2_555
N8 H7 2.5734 no . .
N8 H8 3.4744 no . .
N8 H27 2.9648 no . 2_555
N9 H1 2.5256 no . .
N9 H2 2.8826 no . .
N9 H5 3.5812 no . 2_545
N9 H30 2.8568 no . 1_545
C2 H7 3.5859 no . 2_545
C3 H7 3.5419 no . 2_545
C7 H2 3.4599 no . 2_555
C8 H2 3.3952 no . 2_555
C9 H2 3.5989 no . 2_555
C10 H3 3.3602 no . 2_555
C10 H29 3.3928 no . .
C11 H16 3.4370 no . 3_565
C12 H28 3.0878 no . 1_545
C12 H30 3.5162 no . 1_545
C13 H28 3.2454 no . 1_545
C17 H19 3.2385 no . 1_455
C19 H23 3.3356 no . 1_455
C20 H9 3.3843 no . 3_565
C21 H17 3.5777 no . 3_665
C22 H17 3.3191 no . 3_665
C24 H13 3.0955 no . 1_655
C24 H33 3.5990 no . .
C26 H18 3.3232 no . 3_665
C26 H29 2.9390 no . .
C27 H18 2.8590 no . 3_665
C27 H29 2.8591 no . .
C27 H30 3.2718 no . .
C28 H17 3.3710 no . 3_665
C28 H18 3.1862 no . 3_665
C28 H31 3.1797 no . 1_565
C29 H15 3.5205 no . 1_655
C29 H17 3.2702 no . 3_665
C29 H31 3.3510 no . 1_565
C30 H14 3.5735 no . 1_655
C30 H17 3.5367 no . 3_665
C31 H3 2.9992 no . 2_555
C31 H7 3.4062 no . 2_545
C31 H20 2.9823 no . .
C31 H24 3.1982 no . .
C32 H3 3.4877 no . 2_555
C33 H2 2.9915 no . 1_565
C33 H7 2.9054 no . .
C33 H8 3.1628 no . .
C33 H10 3.5817 no . 1_565
C33 H11 3.4817 no . 1_565
C33 H27 3.2294 no . 2_555
C34 H8 3.3418 no . .
C34 H10 2.9908 no . 1_565
C34 H11 3.4890 no . 1_565
C34 H21 3.2447 no . .
C35 H1 3.3924 no . .
C35 H5 3.3852 no . 2_545
C35 H19 3.5499 no . .
C35 H30 3.2773 no . 1_545
C36 H5 3.5193 no . 2_545
C36 H26 3.5422 no . 2_645
H1 N9 2.5256 no . .
H1 C35 3.3924 no . .
H2 N8 2.5067 no . 1_545
H2 N9 2.8826 no . .
H2 C7 3.4599 no . 2_545
H2 C8 3.3952 no . 2_545
H2 C9 3.5989 no . 2_545
H2 C33 2.9915 no . 1_545
H3 F3 2.6634 no . 1_455
H3 F5 3.3103 no . 1_455
H3 N7 3.0819 no . 2_545
H3 C10 3.3602 no . 2_545
H3 C31 2.9992 no . 2_545
H3 C32 3.4877 no . 2_545
H3 H8 3.4201 no . 2_545
H3 H25 3.0319 no . 2_545
H4 F1 2.6761 no . 1_455
H4 F3 3.1105 no . 1_455
H4 F5 3.5837 no . 1_455
H4 N8 3.5738 no . 2_545
H5 F1 3.3506 no . 1_455
H5 F2 3.3320 no . 2_555
H5 N9 3.5812 no . 2_555
H5 C35 3.3852 no . 2_555
H5 C36 3.5193 no . 2_555
H5 H32 2.8829 no . 2_555
H6 P1 3.4104 no . 2_555
H6 F2 2.7837 no . 2_555
H6 F4 2.5539 no . 2_555
H6 F6 3.1274 no . 2_555
H6 H20 3.4066 no . 2_555
H6 H32 3.5707 no . 2_555
H7 N8 2.5734 no . .
H7 C2 3.5859 no . 2_555
H7 C3 3.5419 no . 2_555
H7 C31 3.4062 no . 2_555
H7 C33 2.9054 no . .
H7 H27 2.9880 no . 2_555
H7 H29 3.5825 no . .
H8 N8 3.4744 no . .
H8 C33 3.1628 no . .
H8 C34 3.3418 no . .
H8 H3 3.4201 no . 2_555
H8 H29 2.6579 no . .
H9 F8 2.6505 no . 3_665
H9 C20 3.3843 no . 3_565
H9 H16 3.0812 no . 3_565
H10 P2 3.3923 no . 3_665
H10 F8 2.5515 no . 3_665
H10 F11 3.5071 no . 1_445
H10 F11 2.5961 no . 3_665
H10 C33 3.5817 no . 1_545
H10 C34 2.9908 no . 1_545
H10 H28 2.4417 no . 1_545
H10 H30 2.7658 no . 1_545
H11 P2 3.3016 no . 1_445
H11 F7 2.2901 no . 1_445
H11 F9 3.1856 no . 1_445
H11 F11 2.7578 no . 1_445
H11 C33 3.4817 no . 1_545
H11 C34 3.4890 no . 1_545
H11 H25 3.1354 no . 2_545
H11 H27 3.1647 no . 2_545
H11 H28 2.7430 no . 1_545
H12 F5 2.4999 no . 1_455
H12 F7 3.3693 no . 1_445
H12 H19 3.0932 no . 1_455
H12 H25 3.1680 no . 2_545
H13 P1 3.4908 no . 1_455
H13 F1 2.8162 no . 1_455
H13 F4 3.4085 no . 1_455
H13 F5 2.5212 no . 1_455
H13 C24 3.0955 no . 1_455
H13 H19 2.4874 no . 1_455
H14 F1 3.3590 no . 1_455
H14 F2 2.9069 no . 2_555
H14 F3 3.5642 no . 2_555
H14 F6 3.3816 no . 2_555
H14 C30 3.5735 no . 1_455
H14 H23 3.2845 no . 1_455
H14 H24 2.8988 no . 1_455
H15 F2 3.4799 no . 2_555
H15 F6 2.5384 no . 2_555
H15 F8 3.1920 no . 1_455
H15 F9 3.0345 no . 1_455
H15 F12 2.8477 no . 1_455
H15 C29 3.5205 no . 1_455
H15 H23 2.6805 no . 1_455
H16 F8 2.9544 no . 1_455
H16 F9 2.9018 no . 1_455
H16 C11 3.4370 no . 3_565
H16 H9 3.0812 no . 3_565
H17 C21 3.5777 no . 3_665
H17 C22 3.3191 no . 3_665
H17 C28 3.3710 no . 3_665
H17 C29 3.2702 no . 3_665
H17 C30 3.5367 no . 3_665
H17 H17 3.3748 no . 3_665
H17 H23 3.5294 no . 3_665
H18 S1 3.5299 no . 3_665
H18 C26 3.3232 no . 3_665
H18 C27 2.8590 no . 3_665
H18 C28 3.1862 no . 3_665
H18 H21 2.9027 no . 3_665
H18 H22 3.3876 no . 3_665
H19 P1 3.4850 no . .
H19 F4 2.6263 no . .
H19 F5 2.6489 no . .
H19 C17 3.2385 no . 1_655
H19 C35 3.5499 no . .
H19 H12 3.0932 no . 1_655
H19 H13 2.4874 no . 1_655
H19 H33 3.1548 no . .
H20 F4 2.5141 no . .
H20 N7 2.4441 no . .
H20 C31 2.9823 no . .
H20 H6 3.4066 no . 2_545
H21 F7 3.4208 no . 3_675
H21 F10 2.9286 no . 3_675
H21 F11 3.2762 no . 3_675
H21 C34 3.2447 no . .
H21 H18 2.9027 no . 3_665
H21 H29 2.7033 no . .
H21 H30 2.9209 no . .
H22 F8 3.5861 no . .
H22 F10 2.8568 no . .
H22 F10 3.4201 no . 3_675
H22 F12 2.6669 no . .
H22 H18 3.3876 no . 3_665
H22 H31 2.8335 no . 1_565
H23 F3 3.1016 no . 2_655
H23 F6 2.7570 no . 2_655
H23 F12 2.3481 no . .
H23 C19 3.3356 no . 1_655
H23 H14 3.2845 no . 1_655
H23 H15 2.6805 no . 1_655
H23 H17 3.5294 no . 3_665
H23 H31 3.1193 no . 1_565
H24 F3 2.7453 no . 2_655
H24 N7 2.5298 no . .
H24 C31 3.1982 no . .
H24 H14 2.8988 no . 1_655
H25 P1 3.4718 no . 2_655
H25 F2 3.0519 no . 2_655
H25 F3 2.9759 no . 2_655
H25 F5 2.5235 no . 2_655
H25 F7 2.9870 no . 2_645
H25 H3 3.0319 no . 2_555
H25 H11 3.1354 no . 2_555
H25 H12 3.1680 no . 2_555
H25 H32 3.3527 no . 2_655
H25 H33 3.4183 no . 2_655
H26 P1 3.4098 no . .
H26 F1 2.9235 no . .
H26 F2 3.2520 no . 2_655
H26 F4 2.8829 no . .
H26 F6 2.6843 no . .
H26 F7 3.3593 no . 2_645
H26 F9 3.5795 no . 2_645
H26 F12 3.5073 no . 2_645
H26 C36 3.5422 no . 2_655
H26 H32 2.9635 no . 2_655
H26 H33 3.5055 no . 2_655
H27 P2 3.5333 no . 2_645
H27 F6 3.4386 no . .
H27 F7 2.8427 no . 2_645
H27 F9 2.5494 no . 2_645
H27 F12 3.4671 no . 2_645
H27 N8 2.9648 no . 2_545
H27 C33 3.2294 no . 2_545
H27 H7 2.9880 no . 2_545
H27 H11 3.1647 no . 2_555
H28 F9 2.7261 no . 1_455
H28 F11 2.8081 no . 1_455
H28 F11 2.6815 no . 3_675
H28 C12 3.0878 no . 1_565
H28 C13 3.2454 no . 1_565
H28 H10 2.4417 no . 1_565
H28 H11 2.7430 no . 1_565
H29 S2 2.8981 no . .
H29 F9 3.3088 no . 1_455
H29 F11 3.3039 no . 3_675
H29 C10 3.3928 no . .
H29 C26 2.9390 no . .
H29 C27 2.8591 no . .
H29 H7 3.5825 no . .
H29 H8 2.6579 no . .
H29 H21 2.7033 no . .
H30 F10 3.1048 no . 3_675
H30 F11 2.6909 no . 3_675
H30 N9 2.8568 no . 1_565
H30 C12 3.5162 no . 1_565
H30 C27 3.2718 no . .
H30 C35 3.2773 no . 1_565
H30 H10 2.7658 no . 1_565
H30 H21 2.9209 no . .
H31 F7 3.2946 no . 1_545
H31 F10 3.5133 no . 1_545
H31 F12 2.6347 no . 1_545
H31 C28 3.1797 no . 1_545
H31 C29 3.3510 no . 1_545
H31 H22 2.8335 no . 1_545
H31 H23 3.1193 no . 1_545
H32 F1 3.2526 no . 2_645
H32 F2 2.7079 no . .
H32 F5 3.5174 no . .
H32 H5 2.8829 no . 2_545
H32 H6 3.5707 no . 2_545
H32 H25 3.3527 no . 2_645
H32 H26 2.9635 no . 2_645
H33 P2 3.5887 no . 1_545
H33 F5 3.5266 no . .
H33 F7 2.5367 no . 1_545
H33 F10 3.3208 no . 1_545
H33 F12 3.0926 no . 1_545
H33 C24 3.5990 no . .
H33 H19 3.1548 no . .
H33 H25 3.4183 no . 2_645
H33 H26 3.5055 no . 2_645
_database_code_depnum_ccdc_archive 'CCDC 982636'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_syn-[PtCu-Me2CO]_revised
_audit_creation_method           'by CrystalStructure 4.0'

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C34.50 H33 Cu F12 N6 O1.50 P2 Pt S2'
_chemical_formula_moiety         'C34.50 H33 Cu F12 N6 O1.50 P2 Pt S2'
_chemical_formula_weight         1168.36
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   12.6353(2)
_cell_length_b                   13.9724(9)
_cell_length_c                   14.9026(3)
_cell_angle_alpha                63.0935(10)
_cell_angle_beta                 87.697(14)
_cell_angle_gamma                64.1812(10)
_cell_volume                     2071.2(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6900
_cell_measurement_theta_min      3.10
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    150
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.520
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.240
_exptl_crystal_density_diffrn    1.873
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1142.00
_exptl_absorpt_coefficient_mu    4.145
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_absorpt_correction_T_min  0.287
_exptl_absorpt_correction_T_max  0.602

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      150
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.314
_diffrn_reflns_number            32453
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             9491
_reflns_number_gt                8797
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0334
_refine_ls_wR_factor_ref         0.0843
_refine_ls_number_restraints     2
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         9491
_refine_ls_number_parameters     559
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0422P)²+1.9012P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.002
_refine_diff_density_max         1.170
_refine_diff_density_min         -1.400
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Cu Cu 0.3201 1.2651
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
C C 0.0033 0.0016
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.552223(11) 0.489693(12) 0.893135(10) 0.02489(5) Uani 1.0 2 d . . .
Cu1 Cu 0.69990(4) 0.37347(4) 0.79143(3) 0.02143(9) Uani 1.0 2 d . . .
S1 S 0.58642(9) 0.29696(9) 1.00654(7) 0.0320(2) Uani 1.0 2 d . . .
S2 S 0.72893(9) 0.44536(10) 0.97419(8) 0.0336(2) Uani 1.0 2 d . . .
P1 P 0.29651(11) 0.23249(10) 0.72886(9) 0.0394(3) Uani 1.0 2 d . . .
P2 P 0.82013(10) 0.96901(10) 0.61829(8) 0.0350(3) Uani 1.0 2 d . . .
F1 F 0.3483(3) 0.2534(3) 0.8114(3) 0.0662(9) Uani 1.0 2 d . . .
F2 F 0.2473(3) 0.2120(3) 0.6456(2) 0.0521(7) Uani 1.0 2 d . . .
F3 F 0.3846(4) 0.2699(4) 0.6585(3) 0.0800(12) Uani 1.0 2 d . . .
F4 F 0.2121(4) 0.1917(4) 0.7997(3) 0.0853(12) Uani 1.0 2 d . . .
F5 F 0.4000(3) 0.0952(3) 0.7831(3) 0.0644(9) Uani 1.0 2 d . . .
F6 F 0.1954(4) 0.3696(3) 0.6752(4) 0.0978(16) Uani 1.0 2 d . . .
F7 F 0.9479(3) 0.9268(3) 0.6758(3) 0.0662(9) Uani 1.0 2 d . . .
F8 F 0.6917(3) 1.0092(4) 0.5624(3) 0.0733(10) Uani 1.0 2 d . . .
F9 F 0.8113(4) 0.8609(4) 0.7142(3) 0.0828(12) Uani 1.0 2 d . . .
F10 F 0.8264(4) 1.0774(3) 0.5222(3) 0.0673(9) Uani 1.0 2 d . . .
F11 F 0.7600(4) 1.0568(3) 0.6666(3) 0.0710(10) Uani 1.0 2 d . . .
F12 F 0.8816(3) 0.8828(4) 0.5687(3) 0.0669(9) Uani 1.0 2 d . . .
O1 O 0.8395(3) 0.2862(4) 0.6766(3) 0.0488(9) Uani 1.0 2 d . . .
O2 O 0.9747(8) 0.5403(10) 1.0956(6) 0.080(3) Uani 0.5000 2 d . . .
N1 N 0.5643(3) 0.4760(3) 0.6685(2) 0.0219(6) Uani 1.0 2 d . . .
N2 N 0.7396(3) 0.5096(3) 0.7106(3) 0.0290(7) Uani 1.0 2 d . . .
N3 N 0.3841(3) 0.5493(3) 0.8171(3) 0.0262(7) Uani 1.0 2 d . . .
N4 N 0.5036(3) 0.6713(3) 0.7964(3) 0.0266(7) Uani 1.0 2 d . . .
N5 N 0.6580(3) 0.2373(3) 0.8560(3) 0.0245(6) Uani 1.0 2 d . . .
N6 N 0.8412(3) 0.2804(3) 0.9085(3) 0.0262(7) Uani 1.0 2 d . . .
C1 C 0.4761(3) 0.4516(4) 0.6528(3) 0.0249(7) Uani 1.0 2 d . . .
C2 C 0.3777(4) 0.5363(4) 0.5734(3) 0.0288(8) Uani 1.0 2 d . . .
C3 C 0.3686(4) 0.6486(4) 0.5086(3) 0.0322(9) Uani 1.0 2 d . . .
C4 C 0.4587(4) 0.6743(4) 0.5234(3) 0.0298(8) Uani 1.0 2 d . . .
C5 C 0.5561(4) 0.5849(4) 0.6039(3) 0.0248(7) Uani 1.0 2 d . . .
C6 C 0.6577(4) 0.6021(4) 0.6256(3) 0.0279(8) Uani 1.0 2 d . . .
C7 C 0.6710(5) 0.7039(5) 0.5632(4) 0.0411(11) Uani 1.0 2 d . . .
C8 C 0.7697(6) 0.7113(5) 0.5900(4) 0.0565(15) Uani 1.0 2 d . . .
C9 C 0.8523(6) 0.6166(6) 0.6771(4) 0.0587(15) Uani 1.0 2 d . . .
C10 C 0.8355(5) 0.5157(5) 0.7363(4) 0.0438(11) Uani 1.0 2 d . . .
C11 C 0.3322(4) 0.4801(4) 0.8287(4) 0.0330(9) Uani 1.0 2 d . . .
C12 C 0.2172(4) 0.5289(5) 0.7784(4) 0.0378(10) Uani 1.0 2 d . . .
C13 C 0.1530(4) 0.6530(5) 0.7164(4) 0.0407(10) Uani 1.0 2 d . . .
C14 C 0.2063(4) 0.7253(4) 0.7042(4) 0.0375(10) Uani 1.0 2 d . . .
C15 C 0.3228(4) 0.6715(4) 0.7546(3) 0.0283(8) Uani 1.0 2 d . . .
C16 C 0.3890(4) 0.7392(4) 0.7446(3) 0.0300(8) Uani 1.0 2 d . . .
C17 C 0.3403(5) 0.8640(4) 0.6847(4) 0.0420(10) Uani 1.0 2 d . . .
C18 C 0.4099(5) 0.9195(5) 0.6779(4) 0.0493(12) Uani 1.0 2 d . . .
C19 C 0.5273(5) 0.8492(5) 0.7301(4) 0.0472(12) Uani 1.0 2 d . . .
C20 C 0.5716(4) 0.7248(4) 0.7890(4) 0.0358(9) Uani 1.0 2 d . . .
C21 C 0.6193(4) 0.2088(4) 0.9460(3) 0.0268(8) Uani 1.0 2 d . . .
C22 C 0.6057(4) 0.1034(4) 0.9960(3) 0.0332(9) Uani 1.0 2 d . . .
C23 C 0.6261(4) 0.0323(4) 0.9510(4) 0.0348(9) Uani 1.0 2 d . . .
C24 C 0.6604(4) 0.0647(4) 0.8562(3) 0.0308(8) Uani 1.0 2 d . . .
C25 C 0.6774(3) 0.1657(3) 0.8126(3) 0.0256(7) Uani 1.0 2 d . . .
C26 C 0.8424(4) 0.3113(4) 0.9819(3) 0.0305(8) Uani 1.0 2 d . . .
C27 C 0.9388(4) 0.2382(5) 1.0657(4) 0.0502(13) Uani 1.0 2 d . . .
C28 C 1.0355(5) 0.1392(5) 1.0701(4) 0.0562(14) Uani 1.0 2 d . . .
C29 C 1.0366(4) 0.1105(5) 0.9922(4) 0.0460(11) Uani 1.0 2 d . . .
C30 C 0.9369(4) 0.1810(4) 0.9151(4) 0.0357(9) Uani 1.0 2 d . . .
C31 C 0.9238(5) 0.2714(5) 0.6335(4) 0.0476(12) Uani 1.0 2 d . . .
C32 C 1.0154(6) 0.1465(7) 0.6565(7) 0.080(2) Uani 1.0 2 d . . .
C33 C 0.9403(6) 0.3750(7) 0.5562(5) 0.079(2) Uani 1.0 2 d . . .
C34 C 0.9168(9) 0.5955(11) 1.0102(7) 0.056(3) Uani 0.5000 2 d . . .
C35 C 0.9614(15) 0.5671(14) 0.9291(10) 0.078(4) Uani 0.5000 2 d . . .
C36 C 0.7891(11) 0.7099(9) 0.9770(9) 0.056(3) Uani 0.5000 2 d . . .
H1 H 0.4821 0.3742 0.6976 0.0298 Uiso 1.0 2 calc R . .
H2 H 0.3171 0.5170 0.5638 0.0346 Uiso 1.0 2 calc R . .
H3 H 0.3012 0.7081 0.4541 0.0387 Uiso 1.0 2 calc R . .
H4 H 0.4542 0.7513 0.4794 0.0357 Uiso 1.0 2 calc R . .
H5 H 0.6131 0.7679 0.5026 0.0493 Uiso 1.0 2 calc R . .
H6 H 0.7799 0.7809 0.5487 0.0678 Uiso 1.0 2 calc R . .
H7 H 0.9207 0.6199 0.6969 0.0704 Uiso 1.0 2 calc R . .
H8 H 0.8934 0.4498 0.7962 0.0526 Uiso 1.0 2 calc R . .
H9 H 0.3759 0.3949 0.8729 0.0396 Uiso 1.0 2 calc R . .
H10 H 0.1827 0.4778 0.7864 0.0453 Uiso 1.0 2 calc R . .
H11 H 0.0729 0.6886 0.6824 0.0488 Uiso 1.0 2 calc R . .
H12 H 0.1633 0.8108 0.6616 0.0450 Uiso 1.0 2 calc R . .
H13 H 0.2596 0.9110 0.6485 0.0504 Uiso 1.0 2 calc R . .
H14 H 0.3773 1.0052 0.6378 0.0592 Uiso 1.0 2 calc R . .
H15 H 0.5770 0.8856 0.7256 0.0567 Uiso 1.0 2 calc R . .
H16 H 0.6524 0.6763 0.8251 0.0429 Uiso 1.0 2 calc R . .
H17 H 0.5823 0.0816 1.0608 0.0398 Uiso 1.0 2 calc R . .
H18 H 0.6169 -0.0391 0.9845 0.0418 Uiso 1.0 2 calc R . .
H19 H 0.6718 0.0182 0.8226 0.0369 Uiso 1.0 2 calc R . .
H20 H 0.7040 0.1864 0.7491 0.0307 Uiso 1.0 2 calc R . .
H21 H 0.9368 0.2577 1.1193 0.0603 Uiso 1.0 2 calc R . .
H22 H 1.1015 0.0903 1.1261 0.0675 Uiso 1.0 2 calc R . .
H23 H 1.1042 0.0440 0.9921 0.0552 Uiso 1.0 2 calc R . .
H24 H 0.9353 0.1587 0.8638 0.0429 Uiso 1.0 2 calc R . .
H25 H 1.0527 0.0984 0.7295 0.0955 Uiso 1.0 2 calc R . .
H26 H 1.0769 0.1517 0.6151 0.0955 Uiso 1.0 2 calc R . .
H27 H 0.9765 0.1076 0.6401 0.0955 Uiso 1.0 2 calc R . .
H28 H 0.8708 0.4290 0.4994 0.0946 Uiso 1.0 2 calc R . .
H29 H 1.0130 0.3443 0.5299 0.0946 Uiso 1.0 2 calc R . .
H30 H 0.9481 0.4200 0.5881 0.0946 Uiso 1.0 2 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2013)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pt1 Cu1 2.7887(6) yes . .
Pt1 S1 2.2849(11) yes . .
Pt1 S2 2.2722(13) yes . .
Pt1 N3 2.071(4) yes . .
Pt1 N4 2.072(3) yes . .
Cu1 N1 2.021(3) yes . .
Cu1 N2 2.007(5) yes . .
Cu1 N5 2.001(4) yes . .
Cu1 N6 2.024(3) yes . .
S1 C21 1.741(6) yes . .
S2 C26 1.748(5) yes . .
P1 F1 1.607(5) yes . .
P1 F2 1.596(5) yes . .
P1 F3 1.591(5) yes . .
P1 F4 1.572(5) yes . .
P1 F5 1.593(3) yes . .
P1 F6 1.583(4) yes . .
P2 F7 1.585(4) yes . .
P2 F8 1.592(4) yes . .
P2 F9 1.586(4) yes . .
P2 F10 1.576(4) yes . .
P2 F11 1.595(5) yes . .
P2 F12 1.595(5) yes . .
O1 C31 1.209(7) yes . .
O2 C34 1.202(12) yes . .
O2 C35 1.57(3) yes . 2_767
N1 C1 1.355(7) yes . .
N1 C5 1.340(5) yes . .
N2 C6 1.343(4) yes . .
N2 C10 1.333(8) yes . .
N3 C11 1.337(8) yes . .
N3 C15 1.359(5) yes . .
N4 C16 1.349(5) yes . .
N4 C20 1.337(8) yes . .
N5 C21 1.353(5) yes . .
N5 C25 1.356(7) yes . .
N6 C26 1.349(7) yes . .
N6 C30 1.351(6) yes . .
C1 C2 1.384(5) yes . .
C1 H1 0.950 no . .
C2 C3 1.375(6) yes . .
C2 H2 0.950 no . .
C3 C4 1.386(8) yes . .
C3 H3 0.950 no . .
C4 C5 1.392(5) yes . .
C4 H4 0.950 no . .
C5 C6 1.478(8) yes . .
C6 C7 1.384(8) yes . .
C7 C8 1.383(11) yes . .
C7 H5 0.950 no . .
C8 C9 1.370(6) yes . .
C8 H6 0.950 no . .
C9 C10 1.390(10) yes . .
C9 H7 0.950 no . .
C10 H8 0.950 no . .
C11 C12 1.379(7) yes . .
C11 H9 0.950 no . .
C12 C13 1.380(6) yes . .
C12 H10 0.950 no . .
C13 C14 1.387(10) yes . .
C13 H11 0.950 no . .
C14 C15 1.381(6) yes . .
C14 H12 0.950 no . .
C15 C16 1.474(8) yes . .
C16 C17 1.384(6) yes . .
C17 C18 1.379(10) yes . .
C17 H13 0.950 no . .
C18 C19 1.379(8) yes . .
C18 H14 0.950 no . .
C19 C20 1.384(7) yes . .
C19 H15 0.950 no . .
C20 H16 0.950 no . .
C21 C22 1.404(7) yes . .
C22 C23 1.367(9) yes . .
C22 H17 0.950 no . .
C23 C24 1.390(7) yes . .
C23 H18 0.950 no . .
C24 C25 1.372(7) yes . .
C24 H19 0.950 no . .
C25 H20 0.950 no . .
C26 C27 1.404(6) yes . .
C27 C28 1.365(8) yes . .
C27 H21 0.950 no . .
C28 C29 1.388(10) yes . .
C28 H22 0.950 no . .
C29 C30 1.373(6) yes . .
C29 H23 0.950 no . .
C30 H24 0.950 no . .
C31 C32 1.495(10) yes . .
C31 C33 1.484(10) yes . .
C32 H25 0.980 no . .
C32 H26 0.980 no . .
C32 H27 0.980 no . .
C33 H28 0.980 no . .
C33 H29 0.980 no . .
C33 H30 0.980 no . .
C34 C35 1.46(2) yes . .
C34 C36 1.583(14) yes . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Cu1 Pt1 S1 82.52(3) yes . . .
Cu1 Pt1 S2 83.20(4) yes . . .
Cu1 Pt1 N3 101.12(11) yes . . .
Cu1 Pt1 N4 103.40(11) yes . . .
S1 Pt1 S2 88.17(5) yes . . .
S1 Pt1 N3 96.97(11) yes . . .
S1 Pt1 N4 173.51(10) yes . . .
S2 Pt1 N3 173.65(12) yes . . .
S2 Pt1 N4 95.12(12) yes . . .
N3 Pt1 N4 79.40(15) yes . . .
Pt1 Cu1 N1 89.58(10) yes . . .
Pt1 Cu1 N2 93.32(12) yes . . .
Pt1 Cu1 N5 91.77(10) yes . . .
Pt1 Cu1 N6 91.13(11) yes . . .
N1 Cu1 N2 80.71(15) yes . . .
N1 Cu1 N5 94.52(14) yes . . .
N1 Cu1 N6 175.30(16) yes . . .
N2 Cu1 N5 172.99(17) yes . . .
N2 Cu1 N6 94.61(15) yes . . .
N5 Cu1 N6 90.10(15) yes . . .
Pt1 S1 C21 110.96(12) yes . . .
Pt1 S2 C26 109.3(2) yes . . .
F1 P1 F2 178.8(2) yes . . .
F1 P1 F3 88.6(3) yes . . .
F1 P1 F4 91.5(3) yes . . .
F1 P1 F5 89.2(2) yes . . .
F1 P1 F6 90.1(3) yes . . .
F2 P1 F3 90.2(3) yes . . .
F2 P1 F4 89.7(3) yes . . .
F2 P1 F5 90.5(2) yes . . .
F2 P1 F6 90.2(3) yes . . .
F3 P1 F4 178.4(3) yes . . .
F3 P1 F5 88.7(2) yes . . .
F3 P1 F6 90.6(3) yes . . .
F4 P1 F5 89.7(2) yes . . .
F4 P1 F6 91.0(3) yes . . .
F5 P1 F6 179.0(3) yes . . .
F7 P2 F8 178.9(2) yes . . .
F7 P2 F9 89.5(3) yes . . .
F7 P2 F10 91.5(3) yes . . .
F7 P2 F11 89.3(3) yes . . .
F7 P2 F12 90.2(3) yes . . .
F8 P2 F9 89.4(3) yes . . .
F8 P2 F10 89.6(2) yes . . .
F8 P2 F11 90.7(3) yes . . .
F8 P2 F12 89.8(3) yes . . .
F9 P2 F10 179.0(3) yes . . .
F9 P2 F11 91.0(3) yes . . .
F9 P2 F12 90.0(3) yes . . .
F10 P2 F11 88.8(2) yes . . .
F10 P2 F12 90.2(2) yes . . .
F11 P2 F12 178.8(3) yes . . .
C34 O2 C35 84.7(11) yes . . 2_767
Cu1 N1 C1 126.7(3) yes . . .
Cu1 N1 C5 114.2(4) yes . . .
C1 N1 C5 118.6(3) yes . . .
Cu1 N2 C6 114.6(4) yes . . .
Cu1 N2 C10 125.7(3) yes . . .
C6 N2 C10 119.7(5) yes . . .
Pt1 N3 C11 125.9(2) yes . . .
Pt1 N3 C15 114.1(4) yes . . .
C11 N3 C15 119.9(4) yes . . .
Pt1 N4 C16 114.4(4) yes . . .
Pt1 N4 C20 125.7(3) yes . . .
C16 N4 C20 119.7(4) yes . . .
Cu1 N5 C21 121.9(4) yes . . .
Cu1 N5 C25 119.1(3) yes . . .
C21 N5 C25 118.8(4) yes . . .
Cu1 N6 C26 122.8(3) yes . . .
Cu1 N6 C30 118.7(4) yes . . .
C26 N6 C30 118.5(4) yes . . .
N1 C1 C2 121.9(4) yes . . .
N1 C1 H1 119.026 no . . .
C2 C1 H1 119.039 no . . .
C1 C2 C3 119.2(5) yes . . .
C1 C2 H2 120.387 no . . .
C3 C2 H2 120.389 no . . .
C2 C3 C4 119.3(4) yes . . .
C2 C3 H3 120.327 no . . .
C4 C3 H3 120.332 no . . .
C3 C4 C5 118.7(4) yes . . .
C3 C4 H4 120.642 no . . .
C5 C4 H4 120.639 no . . .
N1 C5 C4 122.2(5) yes . . .
N1 C5 C6 114.7(3) yes . . .
C4 C5 C6 123.1(4) yes . . .
N2 C6 C5 115.0(4) yes . . .
N2 C6 C7 121.4(5) yes . . .
C5 C6 C7 123.6(4) yes . . .
C6 C7 C8 119.2(4) yes . . .
C6 C7 H5 120.390 no . . .
C8 C7 H5 120.388 no . . .
C7 C8 C9 118.9(7) yes . . .
C7 C8 H6 120.556 no . . .
C9 C8 H6 120.559 no . . .
C8 C9 C10 119.6(7) yes . . .
C8 C9 H7 120.221 no . . .
C10 C9 H7 120.220 no . . .
N2 C10 C9 121.3(4) yes . . .
N2 C10 H8 119.370 no . . .
C9 C10 H8 119.365 no . . .
N3 C11 C12 121.8(4) yes . . .
N3 C11 H9 119.093 no . . .
C12 C11 H9 119.096 no . . .
C11 C12 C13 119.0(6) yes . . .
C11 C12 H10 120.515 no . . .
C13 C12 H10 120.511 no . . .
C12 C13 C14 119.4(5) yes . . .
C12 C13 H11 120.299 no . . .
C14 C13 H11 120.296 no . . .
C13 C14 C15 119.3(4) yes . . .
C13 C14 H12 120.355 no . . .
C15 C14 H12 120.352 no . . .
N3 C15 C14 120.6(5) yes . . .
N3 C15 C16 115.7(4) yes . . .
C14 C15 C16 123.7(4) yes . . .
N4 C16 C15 115.6(4) yes . . .
N4 C16 C17 121.0(5) yes . . .
C15 C16 C17 123.4(4) yes . . .
C16 C17 C18 119.4(5) yes . . .
C16 C17 H13 120.295 no . . .
C18 C17 H13 120.282 no . . .
C17 C18 C19 119.2(5) yes . . .
C17 C18 H14 120.396 no . . .
C19 C18 H14 120.391 no . . .
C18 C19 C20 119.0(7) yes . . .
C18 C19 H15 120.485 no . . .
C20 C19 H15 120.489 no . . .
N4 C20 C19 121.7(5) yes . . .
N4 C20 H16 119.159 no . . .
C19 C20 H16 119.155 no . . .
S1 C21 N5 122.8(4) yes . . .
S1 C21 C22 116.8(4) yes . . .
N5 C21 C22 120.4(5) yes . . .
C21 C22 C23 119.8(4) yes . . .
C21 C22 H17 120.111 no . . .
C23 C22 H17 120.087 no . . .
C22 C23 C24 119.8(5) yes . . .
C22 C23 H18 120.120 no . . .
C24 C23 H18 120.115 no . . .
C23 C24 C25 118.2(5) yes . . .
C23 C24 H19 120.910 no . . .
C25 C24 H19 120.917 no . . .
N5 C25 C24 122.9(4) yes . . .
N5 C25 H20 118.532 no . . .
C24 C25 H20 118.525 no . . .
S2 C26 N6 121.9(3) yes . . .
S2 C26 C27 117.6(5) yes . . .
N6 C26 C27 120.4(4) yes . . .
C26 C27 C28 120.0(6) yes . . .
C26 C27 H21 120.001 no . . .
C28 C27 H21 120.006 no . . .
C27 C28 C29 119.5(5) yes . . .
C27 C28 H22 120.244 no . . .
C29 C28 H22 120.250 no . . .
C28 C29 C30 118.1(5) yes . . .
C28 C29 H23 120.979 no . . .
C30 C29 H23 120.970 no . . .
N6 C30 C29 123.3(6) yes . . .
N6 C30 H24 118.343 no . . .
C29 C30 H24 118.346 no . . .
O1 C31 C32 120.6(6) yes . . .
O1 C31 C33 121.9(6) yes . . .
C32 C31 C33 117.5(6) yes . . .
C31 C32 H25 109.472 no . . .
C31 C32 H26 109.473 no . . .
C31 C32 H27 109.467 no . . .
H25 C32 H26 109.471 no . . .
H25 C32 H27 109.469 no . . .
H26 C32 H27 109.476 no . . .
C31 C33 H28 109.475 no . . .
C31 C33 H29 109.470 no . . .
C31 C33 H30 109.464 no . . .
H28 C33 H29 109.474 no . . .
H28 C33 H30 109.471 no . . .
H29 C33 H30 109.472 no . . .
O2 C34 C35 122.8(10) yes . . .
O2 C34 C36 121.5(12) yes . . .
C35 C34 C36 115.5(9) yes . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Cu1 Pt1 S1 C21 -26.15(5) no . . . .
S1 Pt1 Cu1 N1 119.18(4) no . . . .
S1 Pt1 Cu1 N2 -160.16(4) no . . . .
S1 Pt1 Cu1 N5 24.67(4) no . . . .
S1 Pt1 Cu1 N6 -65.47(4) no . . . .
Cu1 Pt1 S2 C26 -30.50(5) no . . . .
S2 Pt1 Cu1 N1 -151.78(4) no . . . .
S2 Pt1 Cu1 N2 -71.12(4) no . . . .
S2 Pt1 Cu1 N5 113.70(4) no . . . .
S2 Pt1 Cu1 N6 23.57(4) no . . . .
Cu1 Pt1 N3 C11 74.9(3) no . . . .
Cu1 Pt1 N3 C15 -108.6(3) no . . . .
N3 Pt1 Cu1 N1 23.50(10) no . . . .
N3 Pt1 Cu1 N2 104.16(10) no . . . .
N3 Pt1 Cu1 N5 -71.01(10) no . . . .
N3 Pt1 Cu1 N6 -161.15(10) no . . . .
Cu1 Pt1 N4 C16 106.9(3) no . . . .
Cu1 Pt1 N4 C20 -78.9(3) no . . . .
N4 Pt1 Cu1 N1 -58.11(12) no . . . .
N4 Pt1 Cu1 N2 22.55(12) no . . . .
N4 Pt1 Cu1 N5 -152.63(12) no . . . .
N4 Pt1 Cu1 N6 117.24(12) no . . . .
S1 Pt1 S2 C26 52.19(6) no . . . .
S2 Pt1 S1 C21 -109.53(7) no . . . .
S1 Pt1 N3 C11 -8.8(3) no . . . .
S1 Pt1 N3 C15 167.7(2) no . . . .
N3 Pt1 S1 C21 74.21(12) no . . . .
S2 Pt1 N4 C16 -168.9(3) no . . . .
S2 Pt1 N4 C20 5.3(3) no . . . .
N4 Pt1 S2 C26 -133.41(12) no . . . .
N3 Pt1 N4 C16 7.9(3) no . . . .
N3 Pt1 N4 C20 -177.9(4) no . . . .
N4 Pt1 N3 C11 176.6(3) no . . . .
N4 Pt1 N3 C15 -6.8(3) no . . . .
Pt1 Cu1 N1 C1 -86.5(3) no . . . .
Pt1 Cu1 N1 C5 85.2(2) no . . . .
Pt1 Cu1 N2 C6 -83.1(3) no . . . .
Pt1 Cu1 N2 C10 94.6(3) no . . . .
Pt1 Cu1 N5 C21 -24.29(19) no . . . .
Pt1 Cu1 N5 C25 160.84(18) no . . . .
Pt1 Cu1 N6 C26 -15.2(3) no . . . .
Pt1 Cu1 N6 C30 162.8(3) no . . . .
N1 Cu1 N2 C6 5.9(3) no . . . .
N1 Cu1 N2 C10 -176.3(4) no . . . .
N2 Cu1 N1 C1 -179.9(3) no . . . .
N2 Cu1 N1 C5 -8.2(3) no . . . .
N1 Cu1 N5 C21 -114.0(2) no . . . .
N1 Cu1 N5 C25 71.1(2) no . . . .
N5 Cu1 N1 C1 5.3(3) no . . . .
N5 Cu1 N1 C5 177.0(3) no . . . .
N2 Cu1 N6 C26 78.2(3) no . . . .
N2 Cu1 N6 C30 -103.8(3) no . . . .
N6 Cu1 N2 C6 -174.5(3) no . . . .
N6 Cu1 N2 C10 3.2(4) no . . . .
N5 Cu1 N6 C26 -107.0(3) no . . . .
N5 Cu1 N6 C30 71.0(3) no . . . .
N6 Cu1 N5 C21 66.9(2) no . . . .
N6 Cu1 N5 C25 -108.0(2) no . . . .
Pt1 S1 C21 N5 20.2(3) no . . . .
Pt1 S1 C21 C22 -160.76(18) no . . . .
Pt1 S2 C26 N6 32.6(4) no . . . .
Pt1 S2 C26 C27 -150.2(3) no . . . .
Cu1 N1 C1 C2 170.3(3) no . . . .
Cu1 N1 C5 C4 -170.6(3) no . . . .
Cu1 N1 C5 C6 9.0(5) no . . . .
C1 N1 C5 C4 1.8(6) no . . . .
C1 N1 C5 C6 -178.6(4) no . . . .
C5 N1 C1 C2 -1.1(6) no . . . .
Cu1 N2 C6 C5 -2.9(5) no . . . .
Cu1 N2 C6 C7 178.5(3) no . . . .
Cu1 N2 C10 C9 -177.3(3) no . . . .
C6 N2 C10 C9 0.4(8) no . . . .
C10 N2 C6 C5 179.2(4) no . . . .
C10 N2 C6 C7 0.6(7) no . . . .
Pt1 N3 C11 C12 176.7(3) no . . . .
Pt1 N3 C15 C14 -175.7(3) no . . . .
Pt1 N3 C15 C16 4.9(5) no . . . .
C11 N3 C15 C14 1.1(7) no . . . .
C11 N3 C15 C16 -178.3(4) no . . . .
C15 N3 C11 C12 0.3(7) no . . . .
Pt1 N4 C16 C15 -7.6(5) no . . . .
Pt1 N4 C16 C17 173.8(3) no . . . .
Pt1 N4 C20 C19 -173.2(3) no . . . .
C16 N4 C20 C19 0.7(7) no . . . .
C20 N4 C16 C15 177.8(4) no . . . .
C20 N4 C16 C17 -0.8(7) no . . . .
Cu1 N5 C21 S1 7.4(4) no . . . .
Cu1 N5 C21 C22 -171.6(2) no . . . .
Cu1 N5 C25 C24 174.6(2) no . . . .
C21 N5 C25 C24 -0.5(5) no . . . .
C25 N5 C21 S1 -177.7(3) no . . . .
C25 N5 C21 C22 3.3(5) no . . . .
Cu1 N6 C26 S2 -7.7(6) no . . . .
Cu1 N6 C26 C27 175.1(3) no . . . .
Cu1 N6 C30 C29 -179.1(3) no . . . .
C26 N6 C30 C29 -1.0(7) no . . . .
C30 N6 C26 S2 174.3(4) no . . . .
C30 N6 C26 C27 -2.9(7) no . . . .
N1 C1 C2 C3 -0.2(7) no . . . .
C1 C2 C3 C4 0.7(7) no . . . .
C2 C3 C4 C5 0.0(7) no . . . .
C3 C4 C5 N1 -1.3(7) no . . . .
C3 C4 C5 C6 179.2(4) no . . . .
N1 C5 C6 N2 -4.1(6) no . . . .
N1 C5 C6 C7 174.5(4) no . . . .
C4 C5 C6 N2 175.5(4) no . . . .
C4 C5 C6 C7 -5.9(7) no . . . .
N2 C6 C7 C8 -1.3(8) no . . . .
C5 C6 C7 C8 -179.8(4) no . . . .
C6 C7 C8 C9 0.9(8) no . . . .
C7 C8 C9 C10 0.0(9) no . . . .
C8 C9 C10 N2 -0.7(10) no . . . .
N3 C11 C12 C13 -1.7(8) no . . . .
C11 C12 C13 C14 1.5(8) no . . . .
C12 C13 C14 C15 -0.2(8) no . . . .
C13 C14 C15 N3 -1.2(7) no . . . .
C13 C14 C15 C16 178.1(4) no . . . .
N3 C15 C16 N4 1.8(6) no . . . .
N3 C15 C16 C17 -179.7(4) no . . . .
C14 C15 C16 N4 -177.6(4) no . . . .
C14 C15 C16 C17 1.0(7) no . . . .
N4 C16 C17 C18 -0.0(7) no . . . .
C15 C16 C17 C18 -178.5(4) no . . . .
C16 C17 C18 C19 0.9(8) no . . . .
C17 C18 C19 C20 -0.9(9) no . . . .
C18 C19 C20 N4 0.2(9) no . . . .
S1 C21 C22 C23 177.8(3) no . . . .
N5 C21 C22 C23 -3.1(6) no . . . .
C21 C22 C23 C24 0.1(6) no . . . .
C22 C23 C24 C25 2.6(6) no . . . .
C23 C24 C25 N5 -2.5(5) no . . . .
S2 C26 C27 C28 -173.4(4) no . . . .
N6 C26 C27 C28 3.9(8) no . . . .
C26 C27 C28 C29 -1.0(9) no . . . .
C27 C28 C29 C30 -2.6(9) no . . . .
C28 C29 C30 N6 3.8(8) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Pt1 H9 3.1306 no . .
Pt1 H16 3.1312 no . .
Cu1 H1 3.1312 no . .
Cu1 H8 3.0780 no . .
Cu1 H20 2.9329 no . .
Cu1 H24 2.9273 no . .
S1 N6 3.439(4) no . .
S1 C11 3.357(4) no . .
S1 C26 3.322(5) no . .
S1 H9 2.7762 no . .
S1 H17 2.7640 no . .
S2 C20 3.278(4) no . .
S2 H8 3.2985 no . .
S2 H16 2.6921 no . .
S2 H21 2.7889 no . .
O1 H25 2.6277 no . .
O1 H26 3.1300 no . .
O1 H27 2.6302 no . .
O1 H28 2.6351 no . .
O1 H29 3.1311 no . .
O1 H30 2.6407 no . .
O2 O2 3.453(17) no . 2_767
N1 N3 3.279(5) no . .
N1 C3 2.773(5) no . .
N1 C25 3.446(5) no . .
N1 H2 3.2470 no . .
N1 H4 3.2426 no . .
N1 H20 3.2377 no . .
N2 N4 3.475(5) no . .
N2 C8 2.759(8) no . .
N2 C20 3.513(7) no . .
N2 C26 3.587(5) no . .
N2 H5 3.2303 no . .
N2 H7 3.2250 no . .
N2 H16 3.2806 no . .
N3 C1 3.259(7) no . .
N3 C13 2.753(6) no . .
N3 H1 3.4383 no . .
N3 H10 3.2252 no . .
N3 H12 3.2373 no . .
N4 C5 3.524(7) no . .
N4 C6 3.376(6) no . .
N4 C18 2.757(6) no . .
N4 H13 3.2330 no . .
N4 H15 3.2291 no . .
N5 C1 3.127(4) no . .
N5 C23 2.768(7) no . .
N5 C30 3.320(6) no . .
N5 H1 2.6085 no . .
N5 H9 3.3480 no . .
N5 H17 3.2448 no . .
N5 H19 3.2500 no . .
N5 H24 3.1725 no . .
N6 C10 3.094(6) no . .
N6 C21 3.313(7) no . .
N6 C28 2.771(6) no . .
N6 H8 2.5547 no . .
N6 H21 3.2411 no . .
N6 H23 3.2490 no . .
C1 C4 2.730(6) no . .
C1 C11 3.204(7) no . .
C1 C25 3.335(4) no . .
C1 H3 3.2428 no . .
C1 H9 3.3435 no . .
C1 H20 3.2100 no . .
C2 C5 2.729(8) no . .
C2 C11 3.597(7) no . .
C2 C12 3.586(7) no . .
C2 H4 3.2457 no . .
C3 H1 3.2334 no . .
C4 C7 3.006(9) no . .
C4 H2 3.2460 no . .
C4 H5 2.7243 no . .
C5 H1 3.1728 no . .
C5 H3 3.2542 no . .
C5 H5 2.7131 no . .
C6 C9 2.720(10) no . .
C6 C20 3.463(8) no . .
C6 H4 2.7160 no . .
C6 H6 3.2500 no . .
C6 H8 3.1706 no . .
C6 H16 3.5535 no . .
C7 C10 2.724(6) no . .
C7 H4 2.7296 no . .
C7 H7 3.2342 no . .
C8 H8 3.2385 no . .
C9 H5 3.2331 no . .
C9 H16 3.3657 no . .
C10 C26 3.452(6) no . .
C10 H6 3.2487 no . .
C10 H16 3.1720 no . .
C11 C14 2.729(6) no . .
C11 H1 3.0778 no . .
C11 H11 3.2390 no . .
C12 C15 2.741(9) no . .
C12 H2 3.4383 no . .
C12 H12 3.2503 no . .
C13 H9 3.2318 no . .
C14 C17 3.002(10) no . .
C14 H10 3.2523 no . .
C14 H13 2.7202 no . .
C15 H9 3.1884 no . .
C15 H11 3.2504 no . .
C15 H13 2.7056 no . .
C16 C19 2.733(10) no . .
C16 H12 2.7104 no . .
C16 H14 3.2486 no . .
C16 H16 3.1783 no . .
C17 C20 2.724(7) no . .
C17 H12 2.7223 no . .
C17 H15 3.2425 no . .
C18 H16 3.2364 no . .
C19 H13 3.2412 no . .
C20 H14 3.2446 no . .
C21 C24 2.754(8) no . .
C21 H1 3.3672 no . .
C21 H9 2.8547 no . .
C21 H18 3.2585 no . .
C21 H20 3.1845 no . .
C22 C25 2.717(6) no . .
C22 H9 3.4273 no . .
C22 H19 3.2465 no . .
C23 H20 3.2255 no . .
C24 H1 3.4718 no . .
C24 H17 3.2452 no . .
C25 H1 2.6592 no . .
C25 H18 3.2325 no . .
C25 H24 3.3266 no . .
C26 C29 2.750(7) no . .
C26 H8 2.8140 no . .
C26 H22 3.2595 no . .
C26 H24 3.1734 no . .
C27 C30 2.706(9) no . .
C27 H23 3.2408 no . .
C28 H24 3.2212 no . .
C29 H21 3.2386 no . .
C30 H8 3.1312 no . .
C30 H22 3.2309 no . .
C32 H28 3.1775 no . .
C32 H29 2.5329 no . .
C32 H30 3.1752 no . .
C33 H25 3.1788 no . .
C33 H26 2.5372 no . .
C33 H27 3.1724 no . .
Pt1 Pt1 3.4830(4) yes . 2_667
Cu1 O1 2.701(5) yes . .
S1 N4 3.253(4) no . 2_667
S1 C16 3.516(5) no . 2_667
S1 C20 3.544(5) no . 2_667
S2 N3 3.388(4) no . 2_667
S2 C11 3.492(6) no . 2_667
P1 H1 3.5712 no . .
P1 H5 3.5911 no . 2_666
P1 H10 3.5804 no . .
P2 H4 3.5861 no . 2_676
P2 H6 3.4520 no . .
P2 H11 3.5241 no . 1_655
P2 H13 3.5280 no . 2_676
P2 H22 3.5932 no . 2_767
P2 H27 3.4218 no . 1_565
F1 C11 3.212(8) no . .
F1 C12 3.256(7) no . .
F1 C22 3.478(6) no . .
F1 C23 3.394(5) no . .
F1 C24 3.537(5) no . .
F1 H1 2.8716 no . .
F1 H9 2.6714 no . .
F1 H10 2.7644 no . .
F1 H18 3.0214 no . 2_657
F2 C7 3.102(6) no . 2_666
F2 C8 3.159(6) no . 2_666
F2 C18 3.484(7) no . 1_545
F2 C32 3.408(10) no . 1_455
F2 C33 3.461(7) no . 1_455
F2 H5 2.7616 no . 2_666
F2 H6 2.8817 no . 2_666
F2 H14 2.6857 no . 1_545
F2 H25 3.3883 no . 1_455
F2 H26 2.7492 no . 1_455
F2 H29 2.8133 no . 1_455
F2 H30 3.4513 no . 1_455
F3 C1 3.186(8) no . .
F3 C2 3.305(8) no . .
F3 C4 3.297(6) no . 2_666
F3 C7 3.226(7) no . 2_666
F3 H1 2.5238 no . .
F3 H2 2.7860 no . .
F3 H4 2.8544 no . 2_666
F3 H5 2.6772 no . 2_666
F4 C22 3.536(5) no . 2_657
F4 C23 3.505(5) no . 2_657
F4 H17 3.2036 no . 2_657
F4 H18 3.1452 no . 2_657
F4 H23 3.3350 no . 1_455
F4 H25 3.2477 no . 1_455
F5 C18 3.420(9) no . 1_545
F5 C19 3.545(8) no . 1_545
F5 C22 3.230(5) no . 2_657
F5 C23 3.405(7) no . .
F5 C24 3.293(7) no . .
F5 H14 3.0297 no . 1_545
F5 H15 3.2752 no . 1_545
F5 H17 2.4342 no . 2_657
F5 H18 3.3354 no . .
F5 H18 3.2066 no . 2_657
F5 H19 3.1101 no . .
F6 C12 3.327(9) no . .
F6 C33 3.402(6) no . 2_666
F6 H2 2.9702 no . .
F6 H10 2.6640 no . .
F6 H28 2.6245 no . 2_666
F6 H29 3.4528 no . 1_455
F6 H29 3.5594 no . 2_666
F6 H30 3.0859 no . 1_455
F6 H30 3.5788 no . 2_666
F7 C13 3.334(6) no . 1_655
F7 C14 3.130(5) no . 1_655
F7 C27 3.425(6) no . 2_767
F7 C28 3.459(7) no . 2_767
F7 C32 3.419(12) no . 1_565
F7 H11 2.9526 no . 1_655
F7 H12 2.5493 no . 1_655
F7 H21 2.8374 no . 2_767
F7 H22 2.9164 no . 2_767
F7 H25 3.5676 no . 1_565
F7 H27 2.5208 no . 1_565
F8 C4 3.545(6) no . 2_676
F8 C17 3.233(6) no . 2_676
F8 C18 3.390(8) no . 2_676
F8 H4 2.7953 no . 2_676
F8 H5 3.5486 no . 2_676
F8 H6 2.9892 no . .
F8 H13 2.9617 no . 2_676
F8 H14 3.2575 no . 2_676
F8 H15 3.0144 no . .
F9 C8 3.551(10) no . .
F9 C9 3.517(10) no . .
F9 C35 3.538(13) no . .
F9 C36 3.580(12) no . .
F9 H6 3.2326 no . .
F9 H7 3.1651 no . .
F9 H11 3.3045 no . 1_655
F9 H15 2.8342 no . .
F9 H19 3.1866 no . 1_565
F9 H21 3.3690 no . 2_767
F9 H22 3.1114 no . 2_767
F10 C3 3.350(6) no . 2_676
F10 C4 3.558(5) no . 2_676
F10 C14 3.140(5) no . 2_676
F10 C17 3.369(7) no . 2_676
F10 H3 2.8994 no . 2_676
F10 H4 3.2954 no . 2_676
F10 H12 2.4979 no . 2_676
F10 H13 2.7156 no . 2_676
F10 H27 2.9132 no . 1_565
F11 C3 3.344(5) no . 2_676
F11 C4 3.424(4) no . 2_676
F11 C24 3.076(7) no . 1_565
F11 C25 3.094(7) no . 1_565
F11 H3 2.6785 no . 2_676
F11 H4 2.8490 no . 2_676
F11 H19 2.4734 no . 1_565
F11 H20 2.4745 no . 1_565
F11 H22 2.8964 no . 2_767
F11 H27 3.0809 no . 1_565
F12 C8 3.173(10) no . .
F12 C9 3.505(9) no . .
F12 C13 3.396(5) no . 1_655
F12 H6 2.4026 no . .
F12 H7 3.0863 no . .
F12 H11 2.5554 no . 1_655
F12 H12 3.4084 no . 1_655
F12 H13 3.0833 no . 2_676
F12 H26 2.9782 no . 2_766
F12 H27 3.5065 no . 2_766
O1 Cu1 2.701(5) yes . .
O1 N1 3.294(5) no . .
O1 N2 3.088(7) no . .
O1 N5 3.478(5) no . .
O1 N6 3.420(6) no . .
O1 C3 3.404(7) no . 2_666
O1 C25 3.274(6) no . .
O1 C30 3.217(6) no . .
O1 H2 3.3515 no . 2_666
O1 H3 2.6423 no . 2_666
O1 H20 2.5717 no . .
O1 H24 2.5132 no . .
O2 C9 3.281(10) no . 2_767
O2 C10 3.117(13) no . 2_767
O2 C12 3.221(12) no . 2_667
O2 C26 3.573(14) no . 2_767
O2 C27 3.543(13) no . 2_767
O2 H7 2.7950 no . 2_767
O2 H8 2.4529 no . 2_767
O2 H10 2.6213 no . 2_667
N1 O1 3.294(5) no . .
N2 O1 3.088(7) no . .
N2 H30 3.2630 no . .
N3 S2 3.388(4) no . 2_667
N4 S1 3.253(4) no . 2_667
N5 O1 3.478(5) no . .
N5 H23 3.4361 no . 2_757
N6 O1 3.420(6) no . .
C1 F3 3.186(8) no . .
C1 C3 3.445(7) no . 2_666
C1 H3 3.5810 no . 2_666
C2 F3 3.305(8) no . .
C2 H28 3.1211 no . 2_666
C3 F10 3.350(6) no . 2_676
C3 F11 3.344(5) no . 2_676
C3 O1 3.404(7) no . 2_666
C3 C1 3.445(7) no . 2_666
C3 H20 3.3660 no . 2_666
C4 F3 3.297(6) no . 2_666
C4 F8 3.545(6) no . 2_676
C4 F10 3.558(5) no . 2_676
C4 F11 3.424(4) no . 2_676
C5 H2 3.4282 no . 2_666
C7 F2 3.102(6) no . 2_666
C7 F3 3.226(7) no . 2_666
C7 H14 3.5823 no . 2_676
C8 F2 3.159(6) no . 2_666
C8 F9 3.551(10) no . .
C8 F12 3.173(10) no . .
C8 H14 3.5488 no . 2_676
C8 H29 3.2156 no . 2_766
C9 F9 3.517(10) no . .
C9 F12 3.505(9) no . .
C9 O2 3.281(10) no . 2_767
C9 H11 3.3643 no . 1_655
C9 H29 3.4013 no . 2_766
C9 H30 3.3227 no . .
C10 O2 3.117(13) no . 2_767
C10 H30 3.0741 no . .
C11 S2 3.492(6) no . 2_667
C11 F1 3.212(8) no . .
C12 F1 3.256(7) no . .
C12 F6 3.327(9) no . .
C12 O2 3.221(12) no . 2_667
C12 H7 3.4571 no . 1_455
C13 F7 3.334(6) no . 1_455
C13 F12 3.396(5) no . 1_455
C13 H7 3.2071 no . 1_455
C13 H21 3.1849 no . 2_667
C14 F7 3.130(5) no . 1_455
C14 F10 3.140(5) no . 2_676
C14 H21 3.1706 no . 2_667
C16 S1 3.516(5) no . 2_667
C17 F8 3.233(6) no . 2_676
C17 F10 3.369(7) no . 2_676
C18 F2 3.484(7) no . 1_565
C18 F5 3.420(9) no . 1_565
C18 F8 3.390(8) no . 2_676
C19 F5 3.545(8) no . 1_565
C20 S1 3.544(5) no . 2_667
C21 H23 3.4773 no . 2_757
C22 F1 3.478(6) no . .
C22 F4 3.536(5) no . 2_657
C22 F5 3.230(5) no . 2_657
C22 H18 3.2716 no . 2_657
C22 H23 3.2948 no . 2_757
C23 F1 3.394(5) no . .
C23 F4 3.505(5) no . 2_657
C23 F5 3.405(7) no . .
C23 H18 3.1547 no . 2_657
C23 H22 3.5257 no . 2_757
C23 H23 3.1166 no . 2_757
C24 F1 3.537(5) no . .
C24 F5 3.293(7) no . .
C24 F11 3.076(7) no . 1_545
C24 C28 3.472(6) no . 2_757
C24 H22 2.7714 no . 2_757
C24 H23 3.1231 no . 2_757
C25 F11 3.094(7) no . 1_545
C25 O1 3.274(6) no . .
C25 H22 3.1587 no . 2_757
C25 H23 3.2483 no . 2_757
C26 O2 3.573(14) no . 2_767
C27 F7 3.425(6) no . 2_767
C27 O2 3.543(13) no . 2_767
C27 C34 3.340(17) no . 2_767
C27 C35 3.49(3) no . 2_767
C28 F7 3.459(7) no . 2_767
C28 C24 3.472(6) no . 2_757
C28 C36 3.530(17) no . 2_767
C28 H19 3.3584 no . 2_757
C29 C29 3.500(10) no . 2_757
C29 C30 3.516(8) no . 2_757
C29 H23 3.2755 no . 2_757
C29 H24 3.2355 no . 2_757
C30 O1 3.217(6) no . .
C30 C29 3.516(8) no . 2_757
C30 H23 3.0811 no . 2_757
C30 H25 3.4948 no . .
C31 H2 3.4159 no . 2_666
C31 H3 3.0203 no . 2_666
C31 H20 3.5678 no . .
C31 H24 3.0379 no . .
C32 F2 3.408(10) no . 1_655
C32 F7 3.419(12) no . 1_545
C32 H13 3.4421 no . 1_645
C32 H24 3.2668 no . .
C33 F2 3.461(7) no . 1_655
C33 F6 3.402(6) no . 2_666
C33 H2 3.1309 no . 2_666
C33 H30 3.5376 no . 2_766
C34 C27 3.340(17) no . 2_767
C34 H8 3.4727 no . 2_767
C34 H10 3.1355 no . 2_667
C34 H21 3.2845 no . 2_767
C35 F9 3.538(13) no . .
C35 C27 3.49(3) no . 2_767
C35 H7 3.2081 no . .
C35 H8 3.4140 no . .
C35 H10 3.5760 no . 1_655
C35 H21 3.0388 no . 2_767
C36 F9 3.580(12) no . .
C36 C28 3.530(17) no . 2_767
C36 H9 3.2877 no . 2_667
C36 H10 3.2188 no . 2_667
C36 H16 3.2108 no . .
C36 H18 3.2765 no . 1_565
C36 H19 3.4330 no . 1_565
C36 H22 3.3730 no . 2_767
H1 P1 3.5712 no . .
H1 F1 2.8716 no . .
H1 F3 2.5238 no . .
H2 F3 2.7860 no . .
H2 F6 2.9702 no . .
H2 O1 3.3515 no . 2_666
H2 C5 3.4282 no . 2_666
H2 C31 3.4159 no . 2_666
H2 C33 3.1309 no . 2_666
H3 F10 2.8994 no . 2_676
H3 F11 2.6785 no . 2_676
H3 O1 2.6423 no . 2_666
H3 C1 3.5810 no . 2_666
H3 C31 3.0203 no . 2_666
H4 P2 3.5861 no . 2_676
H4 F3 2.8544 no . 2_666
H4 F8 2.7953 no . 2_676
H4 F10 3.2954 no . 2_676
H4 F11 2.8490 no . 2_676
H5 P1 3.5911 no . 2_666
H5 F2 2.7616 no . 2_666
H5 F3 2.6772 no . 2_666
H5 F8 3.5486 no . 2_676
H6 P2 3.4520 no . .
H6 F2 2.8817 no . 2_666
H6 F8 2.9892 no . .
H6 F9 3.2326 no . .
H6 F12 2.4026 no . .
H7 F9 3.1651 no . .
H7 F12 3.0863 no . .
H7 O2 2.7950 no . 2_767
H7 C12 3.4571 no . 1_655
H7 C13 3.2071 no . 1_655
H7 C35 3.2081 no . .
H8 O2 2.4529 no . 2_767
H8 C34 3.4727 no . 2_767
H8 C35 3.4140 no . .
H8 H30 3.3186 no . .
H9 F1 2.6714 no . .
H9 C36 3.2877 no . 2_667
H10 P1 3.5804 no . .
H10 F1 2.7644 no . .
H10 F6 2.6640 no . .
H10 O2 2.6213 no . 2_667
H10 C34 3.1355 no . 2_667
H10 C35 3.5760 no . 1_455
H10 C36 3.2188 no . 2_667
H11 P2 3.5241 no . 1_455
H11 F7 2.9526 no . 1_455
H11 F9 3.3045 no . 1_455
H11 F12 2.5554 no . 1_455
H11 C9 3.3643 no . 1_455
H12 F7 2.5493 no . 1_455
H12 F10 2.4979 no . 2_676
H12 F12 3.4084 no . 1_455
H13 P2 3.5280 no . 2_676
H13 F8 2.9617 no . 2_676
H13 F10 2.7156 no . 2_676
H13 F12 3.0833 no . 2_676
H13 C32 3.4421 no . 1_465
H13 H25 3.4342 no . 1_465
H14 F2 2.6857 no . 1_565
H14 F5 3.0297 no . 1_565
H14 F8 3.2575 no . 2_676
H14 C7 3.5823 no . 2_676
H14 C8 3.5488 no . 2_676
H15 F5 3.2752 no . 1_565
H15 F8 3.0144 no . .
H15 F9 2.8342 no . .
H16 C36 3.2108 no . .
H17 F4 3.2036 no . 2_657
H17 F5 2.4342 no . 2_657
H18 F1 3.0214 no . 2_657
H18 F4 3.1452 no . 2_657
H18 F5 3.3354 no . .
H18 F5 3.2066 no . 2_657
H18 C22 3.2716 no . 2_657
H18 C23 3.1547 no . 2_657
H18 C36 3.2765 no . 1_545
H19 F5 3.1101 no . .
H19 F9 3.1866 no . 1_545
H19 F11 2.4734 no . 1_545
H19 C28 3.3584 no . 2_757
H19 C36 3.4330 no . 1_545
H20 F11 2.4745 no . 1_545
H20 O1 2.5717 no . .
H20 C3 3.3660 no . 2_666
H20 C31 3.5678 no . .
H20 H3 2.6911 no . 2_666
H21 F7 2.8374 no . 2_767
H21 F9 3.3690 no . 2_767
H21 C13 3.1849 no . 2_667
H21 C14 3.1706 no . 2_667
H21 C34 3.2845 no . 2_767
H21 C35 3.0388 no . 2_767
H22 P2 3.5932 no . 2_767
H22 F7 2.9164 no . 2_767
H22 F9 3.1114 no . 2_767
H22 F11 2.8964 no . 2_767
H22 C23 3.5257 no . 2_757
H22 C24 2.7714 no . 2_757
H22 C25 3.1587 no . 2_757
H22 C36 3.3730 no . 2_767
H23 F4 3.3350 no . 1_655
H23 N5 3.4361 no . 2_757
H23 C21 3.4773 no . 2_757
H23 C22 3.2948 no . 2_757
H23 C23 3.1166 no . 2_757
H23 C24 3.1231 no . 2_757
H23 C25 3.2483 no . 2_757
H23 C29 3.2755 no . 2_757
H23 C30 3.0811 no . 2_757
H24 O1 2.5132 no . .
H24 C29 3.2355 no . 2_757
H24 C31 3.0379 no . .
H24 C32 3.2668 no . .
H25 F2 3.3883 no . 1_655
H25 F4 3.2477 no . 1_655
H25 F7 3.5676 no . 1_545
H25 C30 3.4948 no . .
H26 F2 2.7492 no . 1_655
H26 F12 2.9782 no . 2_766
H27 P2 3.4218 no . 1_545
H27 F7 2.5208 no . 1_545
H27 F10 2.9132 no . 1_545
H27 F11 3.0809 no . 1_545
H27 F12 3.5065 no . 2_766
H28 F6 2.6245 no . 2_666
H28 C2 3.1211 no . 2_666
H29 F2 2.8133 no . 1_655
H29 F6 3.4528 no . 1_655
H29 F6 3.5594 no . 2_666
H29 C8 3.2156 no . 2_766
H29 C9 3.4013 no . 2_766
H30 F2 3.4513 no . 1_655
H30 F6 3.0859 no . 1_655
H30 F6 3.5788 no . 2_666
H30 N2 3.2630 no . .
H30 C9 3.3227 no . .
H30 C10 3.0741 no . .
H30 C33 3.5376 no . 2_766
_database_code_depnum_ccdc_archive 'CCDC 982637'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_syn-[PtCu-MeOH]_revisedMK
_audit_creation_method           'by CrystalStructure 4.0'

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C31.50 H29.50 Cu F12 N6 O1.50 P2 Pt S2'
_chemical_formula_moiety         'C31.50 H29.50 Cu F12 N6 O1.50 P2 Pt S2'
_chemical_formula_weight         1128.80
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   19.733(3)
_cell_length_b                   16.767(3)
_cell_length_c                   24.665(4)
_cell_angle_alpha                90.0000
_cell_angle_beta                 102.284(3)
_cell_angle_gamma                90.0000
_cell_volume                     7974(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    25297
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    150
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.620
_exptl_crystal_size_mid          0.570
_exptl_crystal_size_min          0.450
_exptl_crystal_density_diffrn    1.880
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4396.00
_exptl_absorpt_coefficient_mu    4.303
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_absorpt_correction_T_min  0.256
_exptl_absorpt_correction_T_max  0.378

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      150
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.314
_diffrn_reflns_number            62848
_diffrn_reflns_av_R_equivalents  0.0998
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_full        27.56
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measured_fraction_theta_full 0.960
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       20
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             17707
_reflns_number_gt                14657
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0696
_refine_ls_wR_factor_ref         0.2058
_refine_ls_number_restraints     23
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         17707
_refine_ls_number_parameters     976
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.1091P)²+11.7788P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.028
_refine_diff_density_max         3.030
_refine_diff_density_min         -2.020
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00062(9)

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Cu Cu 0.3201 1.2651
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.739887(13) -0.030352(17) 0.773494(11) 0.04122(11) Uani 1.0 4 d . . .
Pt2 Pt 0.766747(13) 0.138453(17) 0.702211(11) 0.04113(11) Uani 1.0 4 d . . .
Cu1 Cu 0.72176(4) -0.17503(5) 0.82563(3) 0.03870(19) Uani 1.0 4 d . . .
Cu2 Cu 0.78536(4) 0.28371(5) 0.65524(3) 0.03933(19) Uani 1.0 4 d . . .
S1 S 0.85441(10) -0.06223(14) 0.80035(10) 0.0562(5) Uani 1.0 4 d . . .
S2 S 0.73423(12) -0.10876(13) 0.69720(8) 0.0533(5) Uani 1.0 4 d . . .
S3 S 0.65146(10) 0.17022(14) 0.67499(9) 0.0551(5) Uani 1.0 4 d . . .
S4 S 0.77251(11) 0.21405(13) 0.77967(8) 0.0528(5) Uani 1.0 4 d . . .
P1 P 0.86965(12) 0.48934(17) 0.57758(11) 0.0660(7) Uani 1.0 4 d . . .
P2 P 0.60594(15) 0.13170(17) 0.42984(10) 0.0684(7) Uani 1.0 4 d . . .
P4 P 0.88947(15) 0.5150(3) 0.89328(13) 0.0885(10) Uani 1.0 4 d . . .
P3 P 0.41535(14) 0.40413(19) 0.39255(12) 0.0756(7) Uiso 1.0 4 d . . .
F1 F 0.8950(7) 0.4053(7) 0.5670(7) 0.185(6) Uani 1.0 4 d . . .
F2 F 0.8575(13) 0.5693(10) 0.5916(8) 0.286(10) Uani 1.0 4 d . . .
F3 F 0.8057(6) 0.4521(12) 0.5848(9) 0.285(11) Uani 1.0 4 d . . .
F4 F 0.9387(6) 0.5214(9) 0.5690(7) 0.208(8) Uani 1.0 4 d . . .
F5 F 0.8382(8) 0.5079(8) 0.5173(5) 0.202(7) Uani 1.0 4 d . . .
F6 F 0.9089(9) 0.4718(12) 0.6366(5) 0.273(11) Uani 1.0 4 d . . .
F7 F 0.6829(5) 0.1503(10) 0.4404(5) 0.199(7) Uani 1.0 4 d . . .
F8 F 0.5281(5) 0.1122(9) 0.4158(5) 0.167(5) Uani 1.0 4 d . . .
F9 F 0.6126(7) 0.1247(7) 0.4928(3) 0.164(5) Uani 1.0 4 d . . .
F10 F 0.6004(5) 0.1425(9) 0.3675(4) 0.183(7) Uani 1.0 4 d . . .
F11 F 0.5809(9) 0.2189(8) 0.4337(6) 0.223(8) Uani 1.0 4 d . . .
F12 F 0.6221(10) 0.0462(7) 0.4239(6) 0.223(8) Uani 1.0 4 d . . .
F19 F 0.8634(6) 0.4371(9) 0.9138(6) 0.213(8) Uani 1.0 4 d . . .
F20 F 0.9152(4) 0.5970(6) 0.8708(4) 0.113(3) Uani 1.0 4 d . . .
F21 F 0.8129(4) 0.5420(6) 0.8729(5) 0.128(4) Uani 1.0 4 d . . .
F22 F 0.9671(4) 0.4890(8) 0.9111(5) 0.165(5) Uani 1.0 4 d . . .
F23 F 0.8874(5) 0.4792(5) 0.8338(4) 0.116(3) Uani 1.0 4 d . . .
F24 F 0.8933(8) 0.5531(12) 0.9525(5) 0.212(7) Uani 1.0 4 d . . .
F15 F 0.3441(4) 0.4390(7) 0.3925(5) 0.145(4) Uiso 1.0 4 d . . .
F18 F 0.4508(6) 0.4667(6) 0.4393(5) 0.160(4) Uiso 1.0 4 d . . .
F16 F 0.4285(5) 0.4768(6) 0.3545(4) 0.143(4) Uiso 1.0 4 d . . .
F17 F 0.4106(5) 0.3534(6) 0.4434(4) 0.133(3) Uiso 1.0 4 d . . .
F14 F 0.3854(6) 0.3638(7) 0.3392(4) 0.161(4) Uiso 1.0 4 d . . .
F13 F 0.4887(3) 0.3718(5) 0.3930(3) 0.100(2) Uiso 1.0 4 d . . .
O1 O 0.6896(4) -0.2961(4) 0.8761(3) 0.0660(17) Uani 1.0 4 d . . .
O2 O 0.6699(8) -0.2744(10) 0.9808(7) 0.175(6) Uiso 1.0 4 d . . .
O3 O 0.5717(11) -0.3396(14) 1.0020(10) 0.248(9) Uiso 1.0 4 d . . .
N1 N 0.6765(3) -0.1198(4) 0.8815(3) 0.0405(12) Uani 1.0 4 d . . .
N2 N 0.6215(3) -0.1856(4) 0.7857(3) 0.0372(12) Uani 1.0 4 d . . .
N3 N 0.7370(4) 0.0466(4) 0.8387(3) 0.0467(14) Uani 1.0 4 d . . .
N4 N 0.6369(3) 0.0061(4) 0.7534(3) 0.0421(13) Uani 1.0 4 d . . .
N5 N 0.8182(3) -0.1681(4) 0.8737(3) 0.0488(15) Uani 1.0 4 d . . .
N6 N 0.7601(3) -0.2334(4) 0.7696(3) 0.0433(13) Uani 1.0 4 d . . .
N7 N 0.8314(3) 0.2344(4) 0.5989(3) 0.0427(13) Uani 1.0 4 d . . .
N8 N 0.8850(3) 0.2967(4) 0.6940(3) 0.0452(14) Uani 1.0 4 d . . .
N9 N 0.7717(4) 0.0637(4) 0.6367(3) 0.0486(15) Uani 1.0 4 d . . .
N10 N 0.8691(3) 0.1017(4) 0.7237(3) 0.0433(13) Uani 1.0 4 d . . .
N11 N 0.6904(3) 0.2821(4) 0.6078(3) 0.0436(13) Uani 1.0 4 d . . .
N12 N 0.7473(3) 0.3432(4) 0.7124(3) 0.0459(14) Uani 1.0 4 d . . .
C1 C 0.7076(5) -0.0847(5) 0.9295(3) 0.0508(18) Uani 1.0 4 d . . .
C2 C 0.6728(5) -0.0479(6) 0.9632(4) 0.060(2) Uani 1.0 4 d . . .
C3 C 0.6033(6) -0.0457(6) 0.9501(4) 0.060(2) Uani 1.0 4 d . . .
C4 C 0.5688(5) -0.0787(5) 0.9001(4) 0.0536(18) Uani 1.0 4 d . . .
C5 C 0.6066(4) -0.1169(5) 0.8667(3) 0.0426(15) Uani 1.0 4 d . . .
C6 C 0.5754(4) -0.1550(5) 0.8135(3) 0.0414(15) Uani 1.0 4 d . . .
C7 C 0.5046(4) -0.1625(6) 0.7941(3) 0.0506(18) Uani 1.0 4 d . . .
C8 C 0.4805(4) -0.1980(6) 0.7423(4) 0.061(3) Uani 1.0 4 d . . .
C9 C 0.5273(4) -0.2272(6) 0.7124(4) 0.055(2) Uani 1.0 4 d . . .
C10 C 0.5985(4) -0.2209(5) 0.7360(3) 0.0467(16) Uani 1.0 4 d . . .
C11 C 0.7905(5) 0.0666(5) 0.8782(4) 0.059(3) Uani 1.0 4 d . . .
C12 C 0.7835(6) 0.1184(6) 0.9200(4) 0.065(3) Uani 1.0 4 d . . .
C13 C 0.7184(6) 0.1517(6) 0.9198(4) 0.069(3) Uani 1.0 4 d . . .
C14 C 0.6621(6) 0.1318(6) 0.8781(4) 0.062(3) Uani 1.0 4 d . . .
C15 C 0.6729(4) 0.0769(5) 0.8378(3) 0.0447(16) Uani 1.0 4 d . . .
C16 C 0.6171(4) 0.0529(5) 0.7914(3) 0.0465(16) Uani 1.0 4 d . . .
C17 C 0.5495(5) 0.0743(6) 0.7860(4) 0.058(2) Uani 1.0 4 d . . .
C18 C 0.5007(5) 0.0512(7) 0.7412(5) 0.076(3) Uani 1.0 4 d . . .
C19 C 0.5223(5) 0.0046(6) 0.7000(4) 0.064(3) Uani 1.0 4 d . . .
C20 C 0.5908(4) -0.0179(5) 0.7082(4) 0.0529(19) Uani 1.0 4 d . . .
C21 C 0.8670(4) -0.1190(6) 0.8611(4) 0.0530(19) Uani 1.0 4 d . . .
C22 C 0.9339(5) -0.1162(6) 0.8963(5) 0.065(3) Uani 1.0 4 d . . .
C23 C 0.9481(5) -0.1635(8) 0.9410(5) 0.077(3) Uani 1.0 4 d . . .
C24 C 0.8983(5) -0.2147(7) 0.9521(4) 0.072(3) Uani 1.0 4 d . . .
C25 C 0.8360(5) -0.2155(6) 0.9187(4) 0.067(3) Uani 1.0 4 d . . .
C26 C 0.7632(4) -0.2030(5) 0.7166(3) 0.0456(17) Uani 1.0 4 d . . .
C27 C 0.7885(5) -0.2509(6) 0.6802(4) 0.062(3) Uani 1.0 4 d . . .
C28 C 0.8088(5) -0.3285(7) 0.6934(5) 0.069(3) Uani 1.0 4 d . . .
C29 C 0.8090(5) -0.3573(5) 0.7456(5) 0.064(3) Uani 1.0 4 d . . .
C30 C 0.7851(4) -0.3083(5) 0.7826(4) 0.0522(18) Uani 1.0 4 d . . .
C31 C 0.7997(5) 0.2024(5) 0.5496(4) 0.0514(18) Uani 1.0 4 d . . .
C32 C 0.8346(5) 0.1618(6) 0.5157(4) 0.060(2) Uani 1.0 4 d . . .
C33 C 0.9057(5) 0.1545(7) 0.5330(5) 0.069(3) Uani 1.0 4 d . . .
C34 C 0.9390(5) 0.1863(6) 0.5826(4) 0.062(3) Uani 1.0 4 d . . .
C35 C 0.9012(4) 0.2262(5) 0.6142(4) 0.0474(17) Uani 1.0 4 d . . .
C36 C 0.9305(4) 0.2629(5) 0.6691(3) 0.0457(16) Uani 1.0 4 d . . .
C37 C 1.0014(5) 0.2627(6) 0.6917(4) 0.061(3) Uani 1.0 4 d . . .
C38 C 1.0243(5) 0.2981(7) 0.7429(4) 0.068(3) Uani 1.0 4 d . . .
C39 C 0.9780(5) 0.3344(6) 0.7681(4) 0.064(3) Uani 1.0 4 d . . .
C40 C 0.9080(5) 0.3331(5) 0.7434(4) 0.055(2) Uani 1.0 4 d . . .
C41 C 0.7198(5) 0.0454(6) 0.5946(4) 0.061(3) Uani 1.0 4 d . . .
C42 C 0.7297(7) -0.0028(7) 0.5512(4) 0.080(4) Uani 1.0 4 d . . .
C43 C 0.7933(7) -0.0330(7) 0.5512(5) 0.083(4) Uani 1.0 4 d . . .
C44 C 0.8478(7) -0.0160(7) 0.5952(5) 0.077(3) Uani 1.0 4 d . . .
C45 C 0.8357(5) 0.0342(5) 0.6381(4) 0.0545(19) Uani 1.0 4 d . . .
C46 C 0.8899(4) 0.0552(5) 0.6865(4) 0.0507(18) Uani 1.0 4 d . . .
C47 C 0.9580(5) 0.0292(6) 0.6952(5) 0.067(3) Uani 1.0 4 d . . .
C48 C 1.0033(5) 0.0507(7) 0.7440(5) 0.072(3) Uani 1.0 4 d . . .
C49 C 0.9821(5) 0.0963(6) 0.7815(4) 0.059(2) Uani 1.0 4 d . . .
C50 C 0.9149(4) 0.1224(5) 0.7713(4) 0.0508(18) Uani 1.0 4 d . . .
C51 C 0.6387(4) 0.2380(5) 0.6208(3) 0.0449(16) Uani 1.0 4 d . . .
C52 C 0.5701(4) 0.2463(6) 0.5910(4) 0.057(2) Uani 1.0 4 d . . .
C53 C 0.5563(5) 0.3027(6) 0.5477(4) 0.059(3) Uani 1.0 4 d . . .
C54 C 0.6092(6) 0.3443(6) 0.5348(4) 0.066(3) Uani 1.0 4 d . . .
C55 C 0.6738(5) 0.3351(5) 0.5656(4) 0.0547(19) Uani 1.0 4 d . . .
C56 C 0.7431(4) 0.3101(5) 0.7625(3) 0.0402(14) Uani 1.0 4 d . . .
C57 C 0.7192(5) 0.3568(6) 0.8013(4) 0.056(2) Uani 1.0 4 d . . .
C58 C 0.6981(5) 0.4320(6) 0.7898(4) 0.064(3) Uani 1.0 4 d . . .
C59 C 0.7007(5) 0.4639(5) 0.7388(4) 0.060(3) Uani 1.0 4 d . . .
C60 C 0.7251(4) 0.4190(5) 0.7013(4) 0.0543(19) Uani 1.0 4 d . . .
C61 C 0.6506(7) -0.3621(6) 0.8545(6) 0.090(4) Uani 1.0 4 d . . .
C62 C 0.7209(9) -0.2510(11) 1.0289(7) 0.144(7) Uiso 1.0 4 d . . .
C63 C 0.5421(15) -0.4133(16) 0.9777(13) 0.256(15) Uiso 1.0 4 d . . .
H1 H 0.7568 -0.0861 0.9399 0.0609 Uiso 1.0 4 calc R . .
H2 H 0.6972 -0.0235 0.9964 0.0720 Uiso 1.0 4 calc R . .
H3 H 0.5780 -0.0219 0.9746 0.0718 Uiso 1.0 4 calc R . .
H4 H 0.5198 -0.0749 0.8890 0.0643 Uiso 1.0 4 calc R . .
H5 H 0.4730 -0.1440 0.8155 0.0607 Uiso 1.0 4 calc R . .
H6 H 0.4321 -0.2021 0.7276 0.0734 Uiso 1.0 4 calc R . .
H7 H 0.5117 -0.2509 0.6770 0.0657 Uiso 1.0 4 calc R . .
H8 H 0.6311 -0.2420 0.7165 0.0561 Uiso 1.0 4 calc R . .
H9 H 0.8348 0.0448 0.8779 0.0705 Uiso 1.0 4 calc R . .
H10 H 0.8223 0.1315 0.9486 0.0776 Uiso 1.0 4 calc R . .
H11 H 0.7128 0.1878 0.9482 0.0824 Uiso 1.0 4 calc R . .
H12 H 0.6177 0.1544 0.8769 0.0742 Uiso 1.0 4 calc R . .
H13 H 0.5362 0.1058 0.8140 0.0696 Uiso 1.0 4 calc R . .
H14 H 0.4535 0.0660 0.7375 0.0908 Uiso 1.0 4 calc R . .
H15 H 0.4900 -0.0108 0.6674 0.0770 Uiso 1.0 4 calc R . .
H16 H 0.6056 -0.0508 0.6815 0.0634 Uiso 1.0 4 calc R . .
H17 H 0.9683 -0.0812 0.8882 0.0782 Uiso 1.0 4 calc R . .
H18 H 0.9926 -0.1617 0.9651 0.0927 Uiso 1.0 4 calc R . .
H19 H 0.9084 -0.2491 0.9833 0.0867 Uiso 1.0 4 calc R . .
H20 H 0.8023 -0.2513 0.9269 0.0806 Uiso 1.0 4 calc R . .
H21 H 0.7920 -0.2301 0.6451 0.0749 Uiso 1.0 4 calc R . .
H22 H 0.8226 -0.3618 0.6665 0.0832 Uiso 1.0 4 calc R . .
H23 H 0.8251 -0.4096 0.7560 0.0764 Uiso 1.0 4 calc R . .
H24 H 0.7862 -0.3278 0.8189 0.0626 Uiso 1.0 4 calc R . .
H25 H 0.7509 0.2084 0.5379 0.0616 Uiso 1.0 4 calc R . .
H26 H 0.8107 0.1394 0.4816 0.0725 Uiso 1.0 4 calc R . .
H27 H 0.9315 0.1274 0.5103 0.0826 Uiso 1.0 4 calc R . .
H28 H 0.9878 0.1807 0.5948 0.0745 Uiso 1.0 4 calc R . .
H29 H 1.0332 0.2388 0.6725 0.0735 Uiso 1.0 4 calc R . .
H30 H 1.0721 0.2970 0.7603 0.0817 Uiso 1.0 4 calc R . .
H31 H 0.9935 0.3607 0.8026 0.0772 Uiso 1.0 4 calc R . .
H32 H 0.8757 0.3581 0.7615 0.0665 Uiso 1.0 4 calc R . .
H33 H 0.6748 0.0659 0.5942 0.0734 Uiso 1.0 4 calc R . .
H34 H 0.6918 -0.0146 0.5214 0.0956 Uiso 1.0 4 calc R . .
H35 H 0.8004 -0.0655 0.5213 0.0991 Uiso 1.0 4 calc R . .
H36 H 0.8926 -0.0376 0.5964 0.0929 Uiso 1.0 4 calc R . .
H37 H 0.9733 -0.0028 0.6683 0.0805 Uiso 1.0 4 calc R . .
H38 H 1.0500 0.0328 0.7508 0.0861 Uiso 1.0 4 calc R . .
H39 H 1.0134 0.1105 0.8149 0.0708 Uiso 1.0 4 calc R . .
H40 H 0.8998 0.1554 0.7978 0.0610 Uiso 1.0 4 calc R . .
H41 H 0.5339 0.2147 0.5998 0.0686 Uiso 1.0 4 calc R . .
H42 H 0.5101 0.3114 0.5279 0.0710 Uiso 1.0 4 calc R . .
H43 H 0.6009 0.3799 0.5041 0.0796 Uiso 1.0 4 calc R . .
H44 H 0.7097 0.3675 0.5572 0.0657 Uiso 1.0 4 calc R . .
H45 H 0.7179 0.3348 0.8365 0.0677 Uiso 1.0 4 calc R . .
H46 H 0.6815 0.4630 0.8165 0.0762 Uiso 1.0 4 calc R . .
H47 H 0.6855 0.5171 0.7299 0.0724 Uiso 1.0 4 calc R . .
H48 H 0.7266 0.4415 0.6662 0.0652 Uiso 1.0 4 calc R . .
H61A H 0.6640 -0.4079 0.8791 0.1085 Uiso 1.0 4 calc R . .
H61B H 0.6591 -0.3743 0.8177 0.1085 Uiso 1.0 4 calc R . .
H61C H 0.6013 -0.3506 0.8515 0.1085 Uiso 1.0 4 calc R . .
H62A H 0.7406 -0.1993 1.0220 0.1723 Uiso 1.0 4 calc R . .
H62B H 0.7578 -0.2911 1.0365 0.1723 Uiso 1.0 4 calc R . .
H62C H 0.6990 -0.2467 1.0609 0.1723 Uiso 1.0 4 calc R . .
H63A H 0.5656 -0.4295 0.9482 0.3066 Uiso 1.0 4 calc R . .
H63B H 0.4926 -0.4056 0.9620 0.3066 Uiso 1.0 4 calc R . .
H63C H 0.5481 -0.4548 1.0063 0.3066 Uiso 1.0 4 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2013)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pt1 Cu1 2.8039(10) yes . .
Pt1 S1 2.279(2) yes . .
Pt1 S2 2.279(2) yes . .
Pt1 N3 2.072(7) yes . .
Pt1 N4 2.079(6) yes . .
Pt2 Cu2 2.7550(10) yes . .
Pt2 S3 2.293(2) yes . .
Pt2 S4 2.275(2) yes . .
Pt2 N9 2.064(7) yes . .
Pt2 N10 2.070(6) yes . .
Cu1 N1 2.019(7) yes . .
Cu1 N2 2.021(6) yes . .
Cu1 N5 2.019(6) yes . .
Cu1 N6 1.972(7) yes . .
Cu2 N7 1.995(7) yes . .
Cu2 N8 2.007(6) yes . .
Cu2 N11 1.987(6) yes . .
Cu2 N12 1.998(7) yes . .
S1 C21 1.748(9) yes . .
S2 C26 1.714(9) yes . .
S3 C51 1.732(8) yes . .
S4 C56 1.733(8) yes . .
P1 F1 1.537(12) yes . .
P1 F2 1.417(17) yes . .
P1 F3 1.453(16) yes . .
P1 F4 1.522(13) yes . .
P1 F5 1.516(11) yes . .
P1 F6 1.525(12) yes . .
P2 F7 1.518(10) yes . .
P2 F8 1.536(10) yes . .
P2 F9 1.534(9) yes . .
P2 F10 1.530(9) yes . .
P2 F11 1.553(14) yes . .
P2 F12 1.483(13) yes . .
P4 F19 1.529(16) yes . .
P4 F20 1.604(10) yes . .
P4 F21 1.554(8) yes . .
P4 F22 1.563(9) yes . .
P4 F23 1.577(10) yes . .
P4 F24 1.581(14) yes . .
P3 F15 1.522(8) yes . .
P3 F18 1.605(11) yes . .
P3 F16 1.592(11) yes . .
P3 F17 1.534(10) yes . .
P3 F14 1.485(10) yes . .
P3 F13 1.543(7) yes . .
O1 C61 1.387(13) yes . .
O2 C62 1.44(2) yes . .
O3 C63 1.44(4) yes . .
N1 C1 1.348(9) yes . .
N1 C5 1.350(9) yes . .
N2 C6 1.353(10) yes . .
N2 C10 1.351(9) yes . .
N3 C11 1.319(10) yes . .
N3 C15 1.358(10) yes . .
N4 C16 1.343(10) yes . .
N4 C20 1.343(10) yes . .
N5 C21 1.354(11) yes . .
N5 C25 1.350(12) yes . .
N6 C26 1.415(10) yes . .
N6 C30 1.362(10) yes . .
N7 C31 1.353(10) yes . .
N7 C35 1.356(10) yes . .
N8 C36 1.320(11) yes . .
N8 C40 1.351(10) yes . .
N9 C41 1.331(10) yes . .
N9 C45 1.349(12) yes . .
N10 C46 1.334(11) yes . .
N10 C50 1.365(9) yes . .
N11 C51 1.353(10) yes . .
N11 C55 1.355(10) yes . .
N12 C56 1.374(10) yes . .
N12 C60 1.354(11) yes . .
C1 C2 1.337(14) yes . .
C1 H1 0.950 no . .
C2 C3 1.340(14) yes . .
C2 H2 0.950 no . .
C3 C4 1.392(12) yes . .
C3 H3 0.950 no . .
C4 C5 1.382(12) yes . .
C4 H4 0.950 no . .
C5 C6 1.470(10) yes . .
C6 C7 1.383(10) yes . .
C7 C8 1.396(12) yes . .
C7 H5 0.950 no . .
C8 C9 1.389(13) yes . .
C8 H6 0.950 no . .
C9 C10 1.405(10) yes . .
C9 H7 0.950 no . .
C10 H8 0.950 no . .
C11 C12 1.378(13) yes . .
C11 H9 0.950 no . .
C12 C13 1.400(16) yes . .
C12 H10 0.950 no . .
C13 C14 1.383(13) yes . .
C13 H11 0.950 no . .
C14 C15 1.404(12) yes . .
C14 H12 0.950 no . .
C15 C16 1.466(10) yes . .
C16 C17 1.360(12) yes . .
C17 C18 1.359(13) yes . .
C17 H13 0.950 no . .
C18 C19 1.416(16) yes . .
C18 H14 0.950 no . .
C19 C20 1.377(12) yes . .
C19 H15 0.950 no . .
C20 H16 0.950 no . .
C21 C22 1.418(11) yes . .
C22 C23 1.339(15) yes . .
C22 H17 0.950 no . .
C23 C24 1.376(16) yes . .
C23 H18 0.950 no . .
C24 C25 1.325(13) yes . .
C24 H19 0.950 no . .
C25 H20 0.950 no . .
C26 C27 1.375(13) yes . .
C27 C28 1.379(14) yes . .
C27 H21 0.950 no . .
C28 C29 1.376(16) yes . .
C28 H22 0.950 no . .
C29 C30 1.383(14) yes . .
C29 H23 0.950 no . .
C30 H24 0.950 no . .
C31 C32 1.371(14) yes . .
C31 H25 0.950 no . .
C32 C33 1.383(14) yes . .
C32 H26 0.950 no . .
C33 C34 1.367(14) yes . .
C33 H27 0.950 no . .
C34 C35 1.364(13) yes . .
C34 H28 0.950 no . .
C35 C36 1.486(11) yes . .
C36 C37 1.392(11) yes . .
C37 C38 1.382(14) yes . .
C37 H29 0.950 no . .
C38 C39 1.353(15) yes . .
C38 H30 0.950 no . .
C39 C40 1.386(12) yes . .
C39 H31 0.950 no . .
C40 H32 0.950 no . .
C41 C42 1.388(15) yes . .
C41 H33 0.950 no . .
C42 C43 1.353(19) yes . .
C42 H34 0.950 no . .
C43 C44 1.387(16) yes . .
C43 H35 0.950 no . .
C44 C45 1.412(15) yes . .
C44 H36 0.950 no . .
C45 C46 1.466(11) yes . .
C46 C47 1.385(12) yes . .
C47 C48 1.385(14) yes . .
C47 H37 0.950 no . .
C48 C49 1.334(16) yes . .
C48 H38 0.950 no . .
C49 C50 1.369(12) yes . .
C49 H39 0.950 no . .
C50 H40 0.950 no . .
C51 C52 1.402(10) yes . .
C52 C53 1.408(13) yes . .
C52 H41 0.950 no . .
C53 C54 1.349(14) yes . .
C53 H42 0.950 no . .
C54 C55 1.346(13) yes . .
C54 H43 0.950 no . .
C55 H44 0.950 no . .
C56 C57 1.392(13) yes . .
C57 C58 1.340(13) yes . .
C57 H45 0.950 no . .
C58 C59 1.378(15) yes . .
C58 H46 0.950 no . .
C59 C60 1.358(14) yes . .
C59 H47 0.950 no . .
C60 H48 0.950 no . .
C61 H61A 0.980 no . .
C61 H61B 0.980 no . .
C61 H61C 0.980 no . .
C62 H62A 0.980 no . .
C62 H62B 0.980 no . .
C62 H62C 0.980 no . .
C63 H63A 0.980 no . .
C63 H63B 0.980 no . .
C63 H63C 0.980 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Cu1 Pt1 S1 83.06(7) yes . . .
Cu1 Pt1 S2 83.74(6) yes . . .
Cu1 Pt1 N3 98.97(18) yes . . .
Cu1 Pt1 N4 98.63(17) yes . . .
S1 Pt1 S2 88.63(9) yes . . .
S1 Pt1 N3 96.31(18) yes . . .
S1 Pt1 N4 175.49(17) yes . . .
S2 Pt1 N3 174.61(18) yes . . .
S2 Pt1 N4 95.70(18) yes . . .
N3 Pt1 N4 79.3(3) yes . . .
Cu2 Pt2 S3 83.35(7) yes . . .
Cu2 Pt2 S4 82.72(6) yes . . .
Cu2 Pt2 N9 100.10(19) yes . . .
Cu2 Pt2 N10 99.22(18) yes . . .
S3 Pt2 S4 89.18(8) yes . . .
S3 Pt2 N9 96.97(18) yes . . .
S3 Pt2 N10 175.71(18) yes . . .
S4 Pt2 N9 173.47(18) yes . . .
S4 Pt2 N10 94.54(18) yes . . .
N9 Pt2 N10 79.2(3) yes . . .
Pt1 Cu1 N1 91.96(17) yes . . .
Pt1 Cu1 N2 93.42(16) yes . . .
Pt1 Cu1 N5 91.36(19) yes . . .
Pt1 Cu1 N6 90.14(19) yes . . .
N1 Cu1 N2 81.0(3) yes . . .
N1 Cu1 N5 94.1(3) yes . . .
N1 Cu1 N6 176.0(3) yes . . .
N2 Cu1 N5 173.2(3) yes . . .
N2 Cu1 N6 95.5(3) yes . . .
N5 Cu1 N6 89.2(3) yes . . .
Pt2 Cu2 N7 92.74(19) yes . . .
Pt2 Cu2 N8 95.76(19) yes . . .
Pt2 Cu2 N11 92.43(19) yes . . .
Pt2 Cu2 N12 92.34(19) yes . . .
N7 Cu2 N8 80.3(3) yes . . .
N7 Cu2 N11 95.5(3) yes . . .
N7 Cu2 N12 173.4(3) yes . . .
N8 Cu2 N11 171.0(3) yes . . .
N8 Cu2 N12 95.0(3) yes . . .
N11 Cu2 N12 88.5(3) yes . . .
Pt1 S1 C21 109.2(3) yes . . .
Pt1 S2 C26 110.3(3) yes . . .
Pt2 S3 C51 110.6(3) yes . . .
Pt2 S4 C56 111.0(3) yes . . .
F1 P1 F2 170.8(11) yes . . .
F1 P1 F3 87.1(10) yes . . .
F1 P1 F4 88.1(8) yes . . .
F1 P1 F5 95.9(8) yes . . .
F1 P1 F6 82.4(9) yes . . .
F2 P1 F3 100.4(13) yes . . .
F2 P1 F4 84.4(12) yes . . .
F2 P1 F5 89.4(9) yes . . .
F2 P1 F6 91.6(10) yes . . .
F3 P1 F4 175.2(10) yes . . .
F3 P1 F5 91.4(10) yes . . .
F3 P1 F6 94.4(11) yes . . .
F4 P1 F5 89.1(9) yes . . .
F4 P1 F6 85.0(9) yes . . .
F5 P1 F6 173.8(9) yes . . .
F7 P2 F8 176.9(7) yes . . .
F7 P2 F9 88.6(7) yes . . .
F7 P2 F10 90.2(6) yes . . .
F7 P2 F11 96.7(9) yes . . .
F7 P2 F12 89.2(10) yes . . .
F8 P2 F9 94.4(7) yes . . .
F8 P2 F10 86.8(6) yes . . .
F8 P2 F11 84.1(8) yes . . .
F8 P2 F12 89.9(10) yes . . .
F9 P2 F10 177.5(8) yes . . .
F9 P2 F11 88.2(8) yes . . .
F9 P2 F12 93.0(8) yes . . .
F10 P2 F11 89.7(8) yes . . .
F10 P2 F12 89.2(8) yes . . .
F11 P2 F12 174.0(10) yes . . .
F19 P4 F20 178.7(6) yes . . .
F19 P4 F21 89.0(6) yes . . .
F19 P4 F22 92.8(7) yes . . .
F19 P4 F23 92.3(7) yes . . .
F19 P4 F24 89.5(9) yes . . .
F20 P4 F21 89.8(5) yes . . .
F20 P4 F22 88.4(6) yes . . .
F20 P4 F23 87.3(5) yes . . .
F20 P4 F24 90.9(8) yes . . .
F21 P4 F22 177.3(7) yes . . .
F21 P4 F23 88.8(6) yes . . .
F21 P4 F24 91.9(7) yes . . .
F22 P4 F23 89.1(6) yes . . .
F22 P4 F24 90.2(7) yes . . .
F23 P4 F24 178.1(8) yes . . .
F15 P3 F18 90.6(6) yes . . .
F15 P3 F16 88.4(6) yes . . .
F15 P3 F17 89.8(6) yes . . .
F15 P3 F14 88.9(6) yes . . .
F15 P3 F13 177.9(5) yes . . .
F18 P3 F16 79.8(6) yes . . .
F18 P3 F17 82.4(6) yes . . .
F18 P3 F14 164.7(6) yes . . .
F18 P3 F13 87.7(5) yes . . .
F16 P3 F17 162.0(6) yes . . .
F16 P3 F14 84.9(6) yes . . .
F16 P3 F13 90.1(5) yes . . .
F17 P3 F14 113.0(6) yes . . .
F17 P3 F13 91.1(5) yes . . .
F14 P3 F13 92.4(6) yes . . .
Cu1 N1 C1 127.9(6) yes . . .
Cu1 N1 C5 114.0(5) yes . . .
C1 N1 C5 118.0(7) yes . . .
Cu1 N2 C6 114.5(4) yes . . .
Cu1 N2 C10 125.9(5) yes . . .
C6 N2 C10 119.6(6) yes . . .
Pt1 N3 C11 125.6(6) yes . . .
Pt1 N3 C15 113.6(5) yes . . .
C11 N3 C15 120.8(7) yes . . .
Pt1 N4 C16 114.9(5) yes . . .
Pt1 N4 C20 124.4(6) yes . . .
C16 N4 C20 120.6(7) yes . . .
Cu1 N5 C21 121.9(5) yes . . .
Cu1 N5 C25 119.9(6) yes . . .
C21 N5 C25 118.2(7) yes . . .
Cu1 N6 C26 124.5(5) yes . . .
Cu1 N6 C30 117.8(6) yes . . .
C26 N6 C30 117.7(7) yes . . .
Cu2 N7 C31 126.8(6) yes . . .
Cu2 N7 C35 115.7(5) yes . . .
C31 N7 C35 117.3(7) yes . . .
Cu2 N8 C36 115.2(5) yes . . .
Cu2 N8 C40 125.8(6) yes . . .
C36 N8 C40 118.9(7) yes . . .
Pt2 N9 C41 126.5(6) yes . . .
Pt2 N9 C45 113.8(5) yes . . .
C41 N9 C45 119.7(8) yes . . .
Pt2 N10 C46 115.1(5) yes . . .
Pt2 N10 C50 125.1(6) yes . . .
C46 N10 C50 119.8(7) yes . . .
Cu2 N11 C51 122.2(5) yes . . .
Cu2 N11 C55 119.2(6) yes . . .
C51 N11 C55 118.0(6) yes . . .
Cu2 N12 C56 122.5(5) yes . . .
Cu2 N12 C60 118.7(6) yes . . .
C56 N12 C60 118.9(7) yes . . .
N1 C1 C2 123.3(8) yes . . .
N1 C1 H1 118.345 no . . .
C2 C1 H1 118.337 no . . .
C1 C2 C3 119.9(8) yes . . .
C1 C2 H2 120.067 no . . .
C3 C2 H2 120.058 no . . .
C2 C3 C4 119.0(9) yes . . .
C2 C3 H3 120.490 no . . .
C4 C3 H3 120.467 no . . .
C3 C4 C5 119.2(8) yes . . .
C3 C4 H4 120.376 no . . .
C5 C4 H4 120.384 no . . .
N1 C5 C4 120.4(7) yes . . .
N1 C5 C6 115.9(7) yes . . .
C4 C5 C6 123.7(7) yes . . .
N2 C6 C5 114.6(6) yes . . .
N2 C6 C7 121.9(7) yes . . .
C5 C6 C7 123.4(7) yes . . .
C6 C7 C8 118.6(8) yes . . .
C6 C7 H5 120.716 no . . .
C8 C7 H5 120.719 no . . .
C7 C8 C9 120.0(7) yes . . .
C7 C8 H6 119.993 no . . .
C9 C8 H6 119.971 no . . .
C8 C9 C10 118.2(7) yes . . .
C8 C9 H7 120.872 no . . .
C10 C9 H7 120.889 no . . .
N2 C10 C9 121.5(8) yes . . .
N2 C10 H8 119.258 no . . .
C9 C10 H8 119.256 no . . .
N3 C11 C12 121.5(9) yes . . .
N3 C11 H9 119.266 no . . .
C12 C11 H9 119.268 no . . .
C11 C12 C13 119.1(8) yes . . .
C11 C12 H10 120.448 no . . .
C13 C12 H10 120.456 no . . .
C12 C13 C14 119.8(9) yes . . .
C12 C13 H11 120.080 no . . .
C14 C13 H11 120.071 no . . .
C13 C14 C15 117.8(10) yes . . .
C13 C14 H12 121.130 no . . .
C15 C14 H12 121.115 no . . .
N3 C15 C14 121.0(7) yes . . .
N3 C15 C16 116.9(7) yes . . .
C14 C15 C16 122.0(8) yes . . .
N4 C16 C15 115.0(7) yes . . .
N4 C16 C17 120.7(7) yes . . .
C15 C16 C17 124.3(8) yes . . .
C16 C17 C18 121.0(9) yes . . .
C16 C17 H13 119.488 no . . .
C18 C17 H13 119.473 no . . .
C17 C18 C19 118.1(9) yes . . .
C17 C18 H14 120.929 no . . .
C19 C18 H14 120.938 no . . .
C18 C19 C20 118.8(8) yes . . .
C18 C19 H15 120.593 no . . .
C20 C19 H15 120.588 no . . .
N4 C20 C19 120.7(9) yes . . .
N4 C20 H16 119.664 no . . .
C19 C20 H16 119.669 no . . .
S1 C21 N5 123.4(6) yes . . .
S1 C21 C22 116.8(7) yes . . .
N5 C21 C22 119.7(8) yes . . .
C21 C22 C23 119.3(9) yes . . .
C21 C22 H17 120.369 no . . .
C23 C22 H17 120.374 no . . .
C22 C23 C24 120.0(9) yes . . .
C22 C23 H18 120.029 no . . .
C24 C23 H18 120.004 no . . .
C23 C24 C25 119.4(10) yes . . .
C23 C24 H19 120.288 no . . .
C25 C24 H19 120.301 no . . .
N5 C25 C24 123.4(10) yes . . .
N5 C25 H20 118.312 no . . .
C24 C25 H20 118.315 no . . .
S2 C26 N6 120.8(6) yes . . .
S2 C26 C27 120.1(7) yes . . .
N6 C26 C27 119.1(8) yes . . .
C26 C27 C28 121.6(9) yes . . .
C26 C27 H21 119.197 no . . .
C28 C27 H21 119.179 no . . .
C27 C28 C29 119.6(10) yes . . .
C27 C28 H22 120.194 no . . .
C29 C28 H22 120.176 no . . .
C28 C29 C30 118.4(9) yes . . .
C28 C29 H23 120.783 no . . .
C30 C29 H23 120.787 no . . .
N6 C30 C29 123.3(8) yes . . .
N6 C30 H24 118.351 no . . .
C29 C30 H24 118.344 no . . .
N7 C31 C32 123.3(8) yes . . .
N7 C31 H25 118.375 no . . .
C32 C31 H25 118.355 no . . .
C31 C32 C33 117.6(9) yes . . .
C31 C32 H26 121.194 no . . .
C33 C32 H26 121.196 no . . .
C32 C33 C34 120.3(10) yes . . .
C32 C33 H27 119.846 no . . .
C34 C33 H27 119.839 no . . .
C33 C34 C35 119.1(9) yes . . .
C33 C34 H28 120.457 no . . .
C35 C34 H28 120.452 no . . .
N7 C35 C34 122.4(7) yes . . .
N7 C35 C36 112.8(7) yes . . .
C34 C35 C36 124.8(7) yes . . .
N8 C36 C35 115.5(6) yes . . .
N8 C36 C37 122.6(7) yes . . .
C35 C36 C37 121.8(8) yes . . .
C36 C37 C38 118.1(9) yes . . .
C36 C37 H29 120.957 no . . .
C38 C37 H29 120.960 no . . .
C37 C38 C39 119.5(8) yes . . .
C37 C38 H30 120.265 no . . .
C39 C38 H30 120.266 no . . .
C38 C39 C40 119.8(9) yes . . .
C38 C39 H31 120.086 no . . .
C40 C39 H31 120.077 no . . .
N8 C40 C39 121.0(9) yes . . .
N8 C40 H32 119.481 no . . .
C39 C40 H32 119.496 no . . .
N9 C41 C42 121.7(10) yes . . .
N9 C41 H33 119.150 no . . .
C42 C41 H33 119.151 no . . .
C41 C42 C43 120.1(10) yes . . .
C41 C42 H34 119.978 no . . .
C43 C42 H34 119.970 no . . .
C42 C43 C44 119.2(11) yes . . .
C42 C43 H35 120.382 no . . .
C44 C43 H35 120.380 no . . .
C43 C44 C45 118.8(11) yes . . .
C43 C44 H36 120.588 no . . .
C45 C44 H36 120.604 no . . .
N9 C45 C44 120.5(8) yes . . .
N9 C45 C46 116.7(8) yes . . .
C44 C45 C46 122.8(9) yes . . .
N10 C46 C45 115.0(7) yes . . .
N10 C46 C47 120.5(8) yes . . .
C45 C46 C47 124.5(9) yes . . .
C46 C47 C48 118.6(10) yes . . .
C46 C47 H37 120.708 no . . .
C48 C47 H37 120.686 no . . .
C47 C48 C49 120.8(9) yes . . .
C47 C48 H38 119.630 no . . .
C49 C48 H38 119.620 no . . .
C48 C49 C50 119.4(8) yes . . .
C48 C49 H39 120.294 no . . .
C50 C49 H39 120.293 no . . .
N10 C50 C49 121.0(8) yes . . .
N10 C50 H40 119.518 no . . .
C49 C50 H40 119.521 no . . .
S3 C51 N11 123.2(5) yes . . .
S3 C51 C52 115.8(7) yes . . .
N11 C51 C52 121.0(7) yes . . .
C51 C52 C53 118.2(8) yes . . .
C51 C52 H41 120.917 no . . .
C53 C52 H41 120.892 no . . .
C52 C53 C54 119.4(8) yes . . .
C52 C53 H42 120.288 no . . .
C54 C53 H42 120.282 no . . .
C53 C54 C55 119.7(9) yes . . .
C53 C54 H43 120.140 no . . .
C55 C54 H43 120.122 no . . .
N11 C55 C54 123.5(9) yes . . .
N11 C55 H44 118.233 no . . .
C54 C55 H44 118.233 no . . .
S4 C56 N12 120.9(6) yes . . .
S4 C56 C57 120.0(6) yes . . .
N12 C56 C57 119.0(7) yes . . .
C56 C57 C58 121.3(9) yes . . .
C56 C57 H45 119.352 no . . .
C58 C57 H45 119.354 no . . .
C57 C58 C59 119.3(10) yes . . .
C57 C58 H46 120.375 no . . .
C59 C58 H46 120.357 no . . .
C58 C59 C60 119.6(8) yes . . .
C58 C59 H47 120.197 no . . .
C60 C59 H47 120.215 no . . .
N12 C60 C59 121.9(8) yes . . .
N12 C60 H48 119.025 no . . .
C59 C60 H48 119.030 no . . .
O1 C61 H61A 109.467 no . . .
O1 C61 H61B 109.465 no . . .
O1 C61 H61C 109.465 no . . .
H61A C61 H61B 109.476 no . . .
H61A C61 H61C 109.477 no . . .
H61B C61 H61C 109.477 no . . .
O2 C62 H62A 109.471 no . . .
O2 C62 H62B 109.461 no . . .
O2 C62 H62C 109.479 no . . .
H62A C62 H62B 109.472 no . . .
H62A C62 H62C 109.471 no . . .
H62B C62 H62C 109.474 no . . .
O3 C63 H63A 109.474 no . . .
O3 C63 H63B 109.467 no . . .
O3 C63 H63C 109.472 no . . .
H63A C63 H63B 109.474 no . . .
H63A C63 H63C 109.473 no . . .
H63B C63 H63C 109.467 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Cu1 Pt1 S1 C21 -29.54(10) no . . . .
S1 Pt1 Cu1 N1 118.20(7) no . . . .
S1 Pt1 Cu1 N2 -160.73(7) no . . . .
S1 Pt1 Cu1 N5 24.05(7) no . . . .
S1 Pt1 Cu1 N6 -65.17(7) no . . . .
Cu1 Pt1 S2 C26 -28.37(11) no . . . .
S2 Pt1 Cu1 N1 -152.43(7) no . . . .
S2 Pt1 Cu1 N2 -71.36(7) no . . . .
S2 Pt1 Cu1 N5 113.42(7) no . . . .
S2 Pt1 Cu1 N6 24.20(7) no . . . .
Cu1 Pt1 N3 C11 86.4(5) no . . . .
Cu1 Pt1 N3 C15 -93.8(4) no . . . .
N3 Pt1 Cu1 N1 22.86(18) no . . . .
N3 Pt1 Cu1 N2 103.93(18) no . . . .
N3 Pt1 Cu1 N5 -71.28(18) no . . . .
N3 Pt1 Cu1 N6 -160.50(18) no . . . .
Cu1 Pt1 N4 C16 92.4(4) no . . . .
Cu1 Pt1 N4 C20 -83.4(5) no . . . .
N4 Pt1 Cu1 N1 -57.59(17) no . . . .
N4 Pt1 Cu1 N2 23.48(17) no . . . .
N4 Pt1 Cu1 N5 -151.73(17) no . . . .
N4 Pt1 Cu1 N6 119.05(17) no . . . .
S1 Pt1 S2 C26 54.80(13) no . . . .
S2 Pt1 S1 C21 -113.41(12) no . . . .
S1 Pt1 N3 C11 2.5(5) no . . . .
S1 Pt1 N3 C15 -177.7(4) no . . . .
N3 Pt1 S1 C21 68.8(2) no . . . .
S2 Pt1 N4 C16 176.9(4) no . . . .
S2 Pt1 N4 C20 1.1(5) no . . . .
N4 Pt1 S2 C26 -126.5(2) no . . . .
N3 Pt1 N4 C16 -5.2(4) no . . . .
N3 Pt1 N4 C20 179.0(5) no . . . .
N4 Pt1 N3 C11 -176.4(6) no . . . .
N4 Pt1 N3 C15 3.4(4) no . . . .
Cu2 Pt2 S3 C51 23.42(10) no . . . .
S3 Pt2 Cu2 N7 -118.15(7) no . . . .
S3 Pt2 Cu2 N8 161.30(7) no . . . .
S3 Pt2 Cu2 N11 -22.53(7) no . . . .
S3 Pt2 Cu2 N12 66.06(7) no . . . .
Cu2 Pt2 S4 C56 28.86(10) no . . . .
S4 Pt2 Cu2 N7 151.83(6) no . . . .
S4 Pt2 Cu2 N8 71.28(6) no . . . .
S4 Pt2 Cu2 N11 -112.55(6) no . . . .
S4 Pt2 Cu2 N12 -23.96(6) no . . . .
Cu2 Pt2 N9 C41 -84.2(5) no . . . .
Cu2 Pt2 N9 C45 93.6(4) no . . . .
N9 Pt2 Cu2 N7 -22.22(18) no . . . .
N9 Pt2 Cu2 N8 -102.77(18) no . . . .
N9 Pt2 Cu2 N11 73.40(18) no . . . .
N9 Pt2 Cu2 N12 161.99(18) no . . . .
Cu2 Pt2 N10 C46 -94.6(4) no . . . .
Cu2 Pt2 N10 C50 84.5(5) no . . . .
N10 Pt2 Cu2 N7 58.39(17) no . . . .
N10 Pt2 Cu2 N8 -22.16(17) no . . . .
N10 Pt2 Cu2 N11 154.00(17) no . . . .
N10 Pt2 Cu2 N12 -117.40(17) no . . . .
S3 Pt2 S4 C56 -54.55(12) no . . . .
S4 Pt2 S3 C51 106.19(12) no . . . .
S3 Pt2 N9 C41 0.2(6) no . . . .
S3 Pt2 N9 C45 178.0(4) no . . . .
N9 Pt2 S3 C51 -76.0(3) no . . . .
S4 Pt2 N10 C46 -177.9(4) no . . . .
S4 Pt2 N10 C50 1.1(5) no . . . .
N10 Pt2 S4 C56 127.6(2) no . . . .
N9 Pt2 N10 C46 4.1(4) no . . . .
N9 Pt2 N10 C50 -176.9(5) no . . . .
N10 Pt2 N9 C41 178.2(6) no . . . .
N10 Pt2 N9 C45 -4.0(4) no . . . .
Pt1 Cu1 N1 C1 -84.5(5) no . . . .
Pt1 Cu1 N1 C5 93.4(4) no . . . .
Pt1 Cu1 N2 C6 -92.8(4) no . . . .
Pt1 Cu1 N2 C10 88.5(4) no . . . .
Pt1 Cu1 N5 C21 -17.2(5) no . . . .
Pt1 Cu1 N5 C25 165.2(5) no . . . .
Pt1 Cu1 N6 C26 -20.6(4) no . . . .
Pt1 Cu1 N6 C30 159.6(4) no . . . .
N1 Cu1 N2 C6 -1.4(4) no . . . .
N1 Cu1 N2 C10 180.0(5) no . . . .
N2 Cu1 N1 C1 -177.7(5) no . . . .
N2 Cu1 N1 C5 0.2(4) no . . . .
N1 Cu1 N5 C21 -109.2(5) no . . . .
N1 Cu1 N5 C25 73.2(5) no . . . .
N5 Cu1 N1 C1 7.0(5) no . . . .
N5 Cu1 N1 C5 -175.1(4) no . . . .
N2 Cu1 N6 C26 72.8(5) no . . . .
N2 Cu1 N6 C30 -107.0(4) no . . . .
N6 Cu1 N2 C6 176.7(4) no . . . .
N6 Cu1 N2 C10 -2.0(5) no . . . .
N5 Cu1 N6 C26 -112.0(5) no . . . .
N5 Cu1 N6 C30 68.2(4) no . . . .
N6 Cu1 N5 C21 72.9(5) no . . . .
N6 Cu1 N5 C25 -104.7(5) no . . . .
Pt2 Cu2 N7 C31 84.3(5) no . . . .
Pt2 Cu2 N7 C35 -89.4(4) no . . . .
Pt2 Cu2 N8 C36 86.1(4) no . . . .
Pt2 Cu2 N8 C40 -90.7(5) no . . . .
Pt2 Cu2 N11 C51 22.7(5) no . . . .
Pt2 Cu2 N11 C55 -167.0(4) no . . . .
Pt2 Cu2 N12 C56 19.2(4) no . . . .
Pt2 Cu2 N12 C60 -161.1(4) no . . . .
N7 Cu2 N8 C36 -5.7(4) no . . . .
N7 Cu2 N8 C40 177.5(6) no . . . .
N8 Cu2 N7 C31 179.7(6) no . . . .
N8 Cu2 N7 C35 5.9(4) no . . . .
N7 Cu2 N11 C51 115.7(5) no . . . .
N7 Cu2 N11 C55 -74.0(5) no . . . .
N11 Cu2 N7 C31 -8.4(6) no . . . .
N11 Cu2 N7 C35 177.9(4) no . . . .
N8 Cu2 N12 C56 -76.8(5) no . . . .
N8 Cu2 N12 C60 102.9(4) no . . . .
N12 Cu2 N8 C36 179.0(5) no . . . .
N12 Cu2 N8 C40 2.1(6) no . . . .
N11 Cu2 N12 C56 111.5(5) no . . . .
N11 Cu2 N12 C60 -68.7(5) no . . . .
N12 Cu2 N11 C51 -69.5(5) no . . . .
N12 Cu2 N11 C55 100.7(5) no . . . .
Pt1 S1 C21 N5 30.3(8) no . . . .
Pt1 S1 C21 C22 -154.2(5) no . . . .
Pt1 S2 C26 N6 25.4(6) no . . . .
Pt1 S2 C26 C27 -156.1(4) no . . . .
Pt2 S3 C51 N11 -17.4(7) no . . . .
Pt2 S3 C51 C52 164.0(4) no . . . .
Pt2 S4 C56 N12 -27.0(5) no . . . .
Pt2 S4 C56 C57 157.3(4) no . . . .
Cu1 N1 C1 C2 178.5(5) no . . . .
Cu1 N1 C5 C4 -177.9(5) no . . . .
Cu1 N1 C5 C6 0.9(8) no . . . .
C1 N1 C5 C4 0.2(10) no . . . .
C1 N1 C5 C6 179.0(6) no . . . .
C5 N1 C1 C2 0.6(11) no . . . .
Cu1 N2 C6 C5 2.2(8) no . . . .
Cu1 N2 C6 C7 -175.1(5) no . . . .
Cu1 N2 C10 C9 178.1(4) no . . . .
C6 N2 C10 C9 -0.5(10) no . . . .
C10 N2 C6 C5 -179.0(6) no . . . .
C10 N2 C6 C7 3.7(10) no . . . .
Pt1 N3 C11 C12 -180.0(5) no . . . .
Pt1 N3 C15 C14 -178.3(5) no . . . .
Pt1 N3 C15 C16 -1.4(8) no . . . .
C11 N3 C15 C14 1.5(11) no . . . .
C11 N3 C15 C16 178.5(7) no . . . .
C15 N3 C11 C12 0.2(12) no . . . .
Pt1 N4 C16 C15 5.9(8) no . . . .
Pt1 N4 C16 C17 -173.4(5) no . . . .
Pt1 N4 C20 C19 175.3(5) no . . . .
C16 N4 C20 C19 -0.3(12) no . . . .
C20 N4 C16 C15 -178.0(7) no . . . .
C20 N4 C16 C17 2.6(11) no . . . .
Cu1 N5 C21 S1 -4.7(11) no . . . .
Cu1 N5 C21 C22 179.9(5) no . . . .
Cu1 N5 C25 C24 179.7(6) no . . . .
C21 N5 C25 C24 2.0(13) no . . . .
C25 N5 C21 S1 172.9(7) no . . . .
C25 N5 C21 C22 -2.5(12) no . . . .
Cu1 N6 C26 S2 1.3(8) no . . . .
Cu1 N6 C26 C27 -177.2(4) no . . . .
Cu1 N6 C30 C29 175.5(5) no . . . .
C26 N6 C30 C29 -4.3(10) no . . . .
C30 N6 C26 S2 -178.9(5) no . . . .
C30 N6 C26 C27 2.6(9) no . . . .
Cu2 N7 C31 C32 -172.6(5) no . . . .
Cu2 N7 C35 C34 173.1(5) no . . . .
Cu2 N7 C35 C36 -5.2(8) no . . . .
C31 N7 C35 C34 -1.3(11) no . . . .
C31 N7 C35 C36 -179.6(6) no . . . .
C35 N7 C31 C32 1.1(11) no . . . .
Cu2 N8 C36 C35 4.6(8) no . . . .
Cu2 N8 C36 C37 -176.6(5) no . . . .
Cu2 N8 C40 C39 176.0(5) no . . . .
C36 N8 C40 C39 -0.7(12) no . . . .
C40 N8 C36 C35 -178.4(7) no . . . .
C40 N8 C36 C37 0.4(11) no . . . .
Pt2 N9 C41 C42 176.9(5) no . . . .
Pt2 N9 C45 C44 -178.0(5) no . . . .
Pt2 N9 C45 C46 3.5(9) no . . . .
C41 N9 C45 C44 -0.1(12) no . . . .
C41 N9 C45 C46 -178.5(7) no . . . .
C45 N9 C41 C42 -0.8(13) no . . . .
Pt2 N10 C46 C45 -3.4(9) no . . . .
Pt2 N10 C46 C47 177.7(5) no . . . .
Pt2 N10 C50 C49 -178.8(5) no . . . .
C46 N10 C50 C49 0.2(11) no . . . .
C50 N10 C46 C45 177.5(6) no . . . .
C50 N10 C46 C47 -1.4(11) no . . . .
Cu2 N11 C51 S3 -7.6(9) no . . . .
Cu2 N11 C51 C52 171.0(5) no . . . .
Cu2 N11 C55 C54 -172.9(5) no . . . .
C51 N11 C55 C54 -2.2(12) no . . . .
C55 N11 C51 S3 -177.9(6) no . . . .
C55 N11 C51 C52 0.7(11) no . . . .
Cu2 N12 C56 S4 1.1(8) no . . . .
Cu2 N12 C56 C57 176.8(4) no . . . .
Cu2 N12 C60 C59 -177.9(5) no . . . .
C56 N12 C60 C59 1.9(10) no . . . .
C60 N12 C56 S4 -178.6(6) no . . . .
C60 N12 C56 C57 -2.9(9) no . . . .
N1 C1 C2 C3 0.8(13) no . . . .
C1 C2 C3 C4 -2.9(14) no . . . .
C2 C3 C4 C5 3.7(13) no . . . .
C3 C4 C5 N1 -2.4(12) no . . . .
C3 C4 C5 C6 178.9(7) no . . . .
N1 C5 C6 N2 -2.1(10) no . . . .
N1 C5 C6 C7 175.2(6) no . . . .
C4 C5 C6 N2 176.7(7) no . . . .
C4 C5 C6 C7 -6.1(12) no . . . .
N2 C6 C7 C8 -4.5(12) no . . . .
C5 C6 C7 C8 178.4(7) no . . . .
C6 C7 C8 C9 2.2(13) no . . . .
C7 C8 C9 C10 0.8(14) no . . . .
C8 C9 C10 N2 -1.7(13) no . . . .
N3 C11 C12 C13 -1.2(13) no . . . .
C11 C12 C13 C14 0.4(14) no . . . .
C12 C13 C14 C15 1.2(14) no . . . .
C13 C14 C15 N3 -2.2(13) no . . . .
C13 C14 C15 C16 -179.0(8) no . . . .
N3 C15 C16 N4 -3.1(10) no . . . .
N3 C15 C16 C17 176.3(7) no . . . .
C14 C15 C16 N4 173.8(7) no . . . .
C14 C15 C16 C17 -6.8(12) no . . . .
N4 C16 C17 C18 -2.3(13) no . . . .
C15 C16 C17 C18 178.5(7) no . . . .
C16 C17 C18 C19 -0.3(15) no . . . .
C17 C18 C19 C20 2.5(15) no . . . .
C18 C19 C20 N4 -2.2(14) no . . . .
S1 C21 C22 C23 -174.5(7) no . . . .
N5 C21 C22 C23 1.2(14) no . . . .
C21 C22 C23 C24 0.7(16) no . . . .
C22 C23 C24 C25 -1.2(17) no . . . .
C23 C24 C25 N5 -0.2(17) no . . . .
S2 C26 C27 C28 -176.5(6) no . . . .
N6 C26 C27 C28 2.0(11) no . . . .
C26 C27 C28 C29 -5.0(13) no . . . .
C27 C28 C29 C30 3.3(13) no . . . .
C28 C29 C30 N6 1.4(12) no . . . .
N7 C31 C32 C33 -0.9(13) no . . . .
C31 C32 C33 C34 0.8(15) no . . . .
C32 C33 C34 C35 -1.0(15) no . . . .
C33 C34 C35 N7 1.3(14) no . . . .
C33 C34 C35 C36 179.3(8) no . . . .
N7 C35 C36 N8 0.3(10) no . . . .
N7 C35 C36 C37 -178.4(6) no . . . .
C34 C35 C36 N8 -177.9(8) no . . . .
C34 C35 C36 C37 3.3(13) no . . . .
N8 C36 C37 C38 1.3(13) no . . . .
C35 C36 C37 C38 180.0(7) no . . . .
C36 C37 C38 C39 -2.7(14) no . . . .
C37 C38 C39 C40 2.4(15) no . . . .
C38 C39 C40 N8 -0.7(14) no . . . .
N9 C41 C42 C43 0.5(15) no . . . .
C41 C42 C43 C44 0.7(17) no . . . .
C42 C43 C44 C45 -1.5(17) no . . . .
C43 C44 C45 N9 1.2(15) no . . . .
C43 C44 C45 C46 179.6(9) no . . . .
N9 C45 C46 N10 -0.1(11) no . . . .
N9 C45 C46 C47 178.8(7) no . . . .
C44 C45 C46 N10 -178.5(9) no . . . .
C44 C45 C46 C47 0.3(14) no . . . .
N10 C46 C47 C48 1.7(13) no . . . .
C45 C46 C47 C48 -177.1(8) no . . . .
C46 C47 C48 C49 -0.7(15) no . . . .
C47 C48 C49 C50 -0.4(15) no . . . .
C48 C49 C50 N10 0.7(14) no . . . .
S3 C51 C52 C53 177.7(6) no . . . .
N11 C51 C52 C53 -0.9(12) no . . . .
C51 C52 C53 C54 2.7(13) no . . . .
C52 C53 C54 C55 -4.2(14) no . . . .
C53 C54 C55 N11 4.0(15) no . . . .
S4 C56 C57 C58 178.0(5) no . . . .
N12 C56 C57 C58 2.3(11) no . . . .
C56 C57 C58 C59 -0.6(12) no . . . .
C57 C58 C59 C60 -0.5(13) no . . . .
C58 C59 C60 N12 -0.1(13) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Pt1 H9 3.1101 no . .
Pt1 H16 3.1191 no . .
Pt2 H33 3.1328 no . .
Pt2 H40 3.1458 no . .
Cu1 H1 3.1330 no . .
Cu1 H8 3.1071 no . .
Cu1 H20 2.9514 no . .
Cu1 H24 2.8803 no . .
Cu2 H25 3.0972 no . .
Cu2 H32 3.0999 no . .
Cu2 H44 2.9182 no . .
Cu2 H48 2.9237 no . .
S1 N6 3.417(7) no . .
S1 C11 3.313(10) no . .
S1 C26 3.390(8) no . .
S1 H9 2.7094 no . .
S1 H17 2.7881 no . .
S2 C10 3.566(9) no . .
S2 C20 3.276(9) no . .
S2 H8 3.1249 no . .
S2 H16 2.6690 no . .
S2 H21 2.7775 no . .
S3 N12 3.478(7) no . .
S3 C41 3.357(10) no . .
S3 C56 3.431(8) no . .
S3 H33 2.7634 no . .
S3 H41 2.7471 no . .
S4 C40 3.598(10) no . .
S4 C50 3.247(9) no . .
S4 H32 3.2506 no . .
S4 H40 2.6458 no . .
S4 H45 2.8057 no . .
N1 N3 3.296(9) no . .
N1 C3 2.745(12) no . .
N1 C15 3.466(10) no . .
N1 C25 3.479(11) no . .
N1 H2 3.2123 no . .
N1 H4 3.2266 no . .
N1 H20 3.3308 no . .
N2 N4 3.341(8) no . .
N2 C8 2.769(9) no . .
N2 C20 3.382(10) no . .
N2 C26 3.583(10) no . .
N2 H5 3.2452 no . .
N2 H7 3.2589 no . .
N2 H16 3.3869 no . .
N3 C1 3.279(11) no . .
N3 C13 2.749(12) no . .
N3 H1 3.3045 no . .
N3 H10 3.2047 no . .
N3 H12 3.2619 no . .
N4 C6 3.426(10) no . .
N4 C18 2.746(12) no . .
N4 H13 3.1999 no . .
N4 H15 3.2200 no . .
N5 C1 3.144(12) no . .
N5 C23 2.744(11) no . .
N5 C30 3.221(11) no . .
N5 H1 2.6201 no . .
N5 H9 3.5844 no . .
N5 H17 3.2531 no . .
N5 H19 3.2057 no . .
N5 H24 3.0042 no . .
N6 C10 3.126(10) no . .
N6 C21 3.348(10) no . .
N6 C28 2.787(13) no . .
N6 H8 2.6058 no . .
N6 H21 3.2633 no . .
N6 H23 3.2660 no . .
N7 N9 3.305(9) no . .
N7 C33 2.756(13) no . .
N7 C45 3.490(10) no . .
N7 C55 3.479(11) no . .
N7 H26 3.2508 no . .
N7 H28 3.2365 no . .
N7 H44 3.2790 no . .
N8 N10 3.379(9) no . .
N8 C38 2.756(11) no . .
N8 C50 3.470(11) no . .
N8 C56 3.572(10) no . .
N8 H29 3.2291 no . .
N8 H31 3.2355 no . .
N8 H40 3.4539 no . .
N9 C31 3.292(11) no . .
N9 C43 2.765(14) no . .
N9 H25 3.4012 no . .
N9 H34 3.2229 no . .
N9 H36 3.2521 no . .
N10 C35 3.574(11) no . .
N10 C36 3.358(10) no . .
N10 C48 2.726(11) no . .
N10 H37 3.2177 no . .
N10 H39 3.2349 no . .
N11 C31 3.132(11) no . .
N11 C53 2.766(10) no . .
N11 C60 3.222(10) no . .
N11 H25 2.6069 no . .
N11 H41 3.2550 no . .
N11 H43 3.2273 no . .
N11 H48 3.0479 no . .
N12 C40 3.104(11) no . .
N12 C51 3.279(9) no . .
N12 C58 2.755(13) no . .
N12 H32 2.5766 no . .
N12 H45 3.2391 no . .
N12 H47 3.2245 no . .
C1 C4 2.683(13) no . .
C1 C11 3.403(13) no . .
C1 C15 3.502(11) no . .
C1 C25 3.405(14) no . .
C1 H3 3.1780 no . .
C1 H20 3.3691 no . .
C2 C5 2.718(11) no . .
C2 H4 3.2126 no . .
C3 H1 3.1654 no . .
C4 C7 3.001(11) no . .
C4 H2 3.2187 no . .
C4 H5 2.7295 no . .
C5 C16 3.429(11) no . .
C5 H1 3.1676 no . .
C5 H3 3.2537 no . .
C5 H5 2.7090 no . .
C6 C9 2.753(11) no . .
C6 C20 3.530(12) no . .
C6 H4 2.7085 no . .
C6 H6 3.2501 no . .
C6 H8 3.1923 no . .
C7 C10 2.753(12) no . .
C7 H4 2.7254 no . .
C7 H7 3.2757 no . .
C8 H8 3.2548 no . .
C9 H5 3.2737 no . .
C9 H16 3.4956 no . .
C10 C20 3.469(12) no . .
C10 C26 3.398(11) no . .
C10 H6 3.2615 no . .
C10 H16 3.1691 no . .
C11 C14 2.758(15) no . .
C11 C21 3.523(12) no . .
C11 H1 3.1202 no . .
C11 H11 3.2534 no . .
C12 C15 2.734(11) no . .
C12 H1 3.5189 no . .
C12 H12 3.2737 no . .
C13 H2 3.5640 no . .
C13 H9 3.2516 no . .
C14 C17 2.981(12) no . .
C14 H10 3.2674 no . .
C14 H13 2.6828 no . .
C15 H9 3.1823 no . .
C15 H11 3.2523 no . .
C15 H13 2.6811 no . .
C16 C19 2.728(11) no . .
C16 H12 2.7069 no . .
C16 H14 3.2267 no . .
C16 H16 3.1874 no . .
C17 C20 2.720(13) no . .
C17 H12 2.7125 no . .
C17 H15 3.2422 no . .
C18 H16 3.2656 no . .
C19 H13 3.2442 no . .
C20 H14 3.2674 no . .
C21 C24 2.720(14) no . .
C21 H1 3.2563 no . .
C21 H9 2.8677 no . .
C21 H18 3.2450 no . .
C21 H20 3.1733 no . .
C22 C25 2.696(14) no . .
C22 H9 3.3072 no . .
C22 H19 3.2083 no . .
C23 H20 3.1858 no . .
C24 H1 3.4897 no . .
C24 H17 3.2142 no . .
C25 H1 2.7887 no . .
C25 H18 3.1882 no . .
C25 H24 3.0882 no . .
C26 C29 2.782(12) no . .
C26 H8 2.6864 no . .
C26 H22 3.2564 no . .
C26 H24 3.2346 no . .
C27 C30 2.717(13) no . .
C27 H8 3.4127 no . .
C27 H23 3.2444 no . .
C28 H24 3.2217 no . .
C29 H21 3.2336 no . .
C30 H8 3.3191 no . .
C30 H22 3.2334 no . .
C31 C34 2.708(12) no . .
C31 C41 3.375(13) no . .
C31 C45 3.544(12) no . .
C31 C55 3.419(13) no . .
C31 H27 3.2190 no . .
C31 H44 3.3157 no . .
C32 C35 2.728(12) no . .
C32 C43 3.521(16) no . .
C32 C44 3.546(15) no . .
C32 H28 3.2456 no . .
C33 C44 3.546(17) no . .
C33 H25 3.2118 no . .
C34 C37 2.999(13) no . .
C34 H26 3.2476 no . .
C34 H29 2.7199 no . .
C35 C45 3.566(12) no . .
C35 C46 3.408(12) no . .
C35 H25 3.1708 no . .
C35 H27 3.2135 no . .
C35 H29 2.7012 no . .
C36 C39 2.703(12) no . .
C36 C50 3.512(12) no . .
C36 H28 2.7228 no . .
C36 H30 3.2435 no . .
C36 H32 3.1563 no . .
C37 C40 2.723(14) no . .
C37 H28 2.7210 no . .
C37 H31 3.2240 no . .
C38 H32 3.2232 no . .
C39 H29 3.2250 no . .
C39 H40 3.5221 no . .
C40 C50 3.595(12) no . .
C40 C56 3.407(12) no . .
C40 H30 3.2325 no . .
C40 H40 3.2849 no . .
C41 C44 2.725(16) no . .
C41 H25 3.1879 no . .
C41 H35 3.2368 no . .
C42 C45 2.729(13) no . .
C42 H25 3.5887 no . .
C42 H26 3.5149 no . .
C42 H36 3.2246 no . .
C43 H26 3.4165 no . .
C43 H33 3.2241 no . .
C44 C47 3.017(15) no . .
C44 H34 3.2260 no . .
C44 H37 2.7440 no . .
C45 H33 3.1728 no . .
C45 H35 3.2743 no . .
C45 H37 2.7297 no . .
C46 C49 2.731(12) no . .
C46 H36 2.7223 no . .
C46 H38 3.2417 no . .
C46 H40 3.1885 no . .
C47 C50 2.715(14) no . .
C47 H36 2.7418 no . .
C47 H39 3.2252 no . .
C48 H40 3.1883 no . .
C49 H37 3.2202 no . .
C50 H38 3.1941 no . .
C51 C54 2.735(13) no . .
C51 H25 3.3544 no . .
C51 H33 3.0768 no . .
C51 H42 3.2753 no . .
C51 H44 3.1749 no . .
C52 C55 2.711(13) no . .
C52 H43 3.2453 no . .
C53 H44 3.1793 no . .
C54 H25 3.5951 no . .
C54 H41 3.2417 no . .
C55 C60 3.573(12) no . .
C55 H25 2.7808 no . .
C55 H42 3.1912 no . .
C55 H48 3.0540 no . .
C56 C59 2.737(11) no . .
C56 H32 2.7415 no . .
C56 H46 3.2413 no . .
C56 H48 3.2063 no . .
C57 C60 2.704(13) no . .
C57 H32 3.4324 no . .
C57 H47 3.2038 no . .
C58 H48 3.2193 no . .
C59 H45 3.2044 no . .
C60 H32 3.1939 no . .
C60 H46 3.2244 no . .
H1 H2 2.2640 no . .
H1 H9 3.2435 no . .
H1 H20 2.9508 no . .
H2 H3 2.2980 no . .
H3 H4 2.3541 no . .
H4 H5 2.1840 no . .
H5 H6 2.3568 no . .
H6 H7 2.3512 no . .
H7 H8 2.3568 no . .
H8 H16 3.3305 no . .
H9 H10 2.3235 no . .
H9 H17 3.3431 no . .
H10 H11 2.3573 no . .
H11 H12 2.3502 no . .
H12 H13 2.1439 no . .
H13 H14 2.3142 no . .
H14 H15 2.3879 no . .
H15 H16 2.3306 no . .
H17 H18 2.2950 no . .
H18 H19 2.3303 no . .
H19 H20 2.2548 no . .
H20 H24 2.9117 no . .
H21 H22 2.3209 no . .
H22 H23 2.3399 no . .
H23 H24 2.3203 no . .
H25 H26 2.3143 no . .
H25 H33 3.2828 no . .
H25 H44 2.8585 no . .
H26 H27 2.3477 no . .
H26 H35 3.5911 no . .
H27 H28 2.3209 no . .
H28 H29 2.1677 no . .
H29 H30 2.3495 no . .
H30 H31 2.3083 no . .
H31 H32 2.3303 no . .
H32 H40 3.5210 no . .
H33 H34 2.3255 no . .
H34 H35 2.3080 no . .
H35 H36 2.3506 no . .
H36 H37 2.1951 no . .
H37 H38 2.3398 no . .
H38 H39 2.2829 no . .
H39 H40 2.3159 no . .
H41 H42 2.3755 no . .
H42 H43 2.3062 no . .
H43 H44 2.2735 no . .
H44 H48 2.9145 no . .
H45 H46 2.2860 no . .
H46 H47 2.3359 no . .
H47 H48 2.2973 no . .
Pt1 Pt2 3.4321(6) no . .
Pt2 Pt1 3.4321(6) no . .
Cu1 O1 2.533(7) no . .
Cu1 C61 3.569(12) no . .
Cu1 H61B 3.5530 no . .
Cu2 F3 3.38(2) no . .
S1 N10 3.384(7) no . .
S1 C50 3.447(9) no . .
S1 H30 3.2911 no . 2_746
S2 N9 3.406(7) no . .
S2 C41 3.586(10) no . .
S3 N4 3.411(7) no . .
S3 C20 3.531(9) no . .
S4 N3 3.305(7) no . .
S4 C11 3.432(9) no . .
S4 C15 3.521(8) no . .
P1 H17 3.3446 no . 2_756
P1 H22 3.5731 no . 1_565
P2 H15 3.3928 no . 3_656
P2 H34 3.5165 no . .
P2 H45 3.5574 no . 4_554
P2 H63A 3.5335 no . 4_544
P4 H23 3.5835 no . 1_565
P4 H24 3.5875 no . 1_565
P4 H37 3.3892 no . 2_756
P3 H3 3.4793 no . 2_656
P3 H4 3.5397 no . 4_554
P3 H7 3.5591 no . 3_656
P3 H13 3.3815 no . 4_554
P3 H47 3.5036 no . 3_666
F1 N7 3.290(14) no . .
F1 C22 3.322(15) no . 2_756
F1 C23 3.347(17) no . 2_756
F1 C35 3.213(14) no . .
F1 C36 3.431(16) no . .
F1 H10 3.0308 no . 4_554
F1 H17 2.6975 no . 2_756
F1 H18 2.7480 no . 2_756
F2 C28 3.35(3) no . 1_565
F2 H2 3.5976 no . 4_554
F2 H22 2.4011 no . 1_565
F2 H39 3.1294 no . 2_756
F2 H62A 3.3661 no . 4_554
F3 Cu2 3.38(2) no . .
F3 C55 3.212(18) no . .
F3 H2 2.9649 no . 4_554
F3 H44 2.3474 no . .
F3 H48 2.7966 no . .
F4 C22 3.384(16) no . 2_756
F4 H17 2.5714 no . 2_756
F4 H18 3.5301 no . 2_756
F4 H39 3.1881 no . 2_756
F5 C1 3.258(15) no . 4_554
F5 C2 3.323(17) no . 4_554
F5 C11 3.584(14) no . 4_554
F5 C12 3.211(15) no . 4_554
F5 H1 2.5772 no . 4_554
F5 H2 2.7332 no . 4_554
F5 H9 3.5372 no . 4_554
F5 H10 2.8640 no . 4_554
F6 N8 3.34(2) no . .
F6 C36 3.60(2) no . .
F6 C40 3.517(18) no . .
F6 C48 3.355(17) no . 2_756
F6 C49 3.349(19) no . 2_756
F6 H17 2.7687 no . 2_756
F6 H22 3.4288 no . 1_565
F6 H38 2.9080 no . 2_756
F6 H39 2.8998 no . 2_756
F7 C13 3.454(19) no . 4_554
F7 C31 3.270(13) no . .
F7 C32 3.175(13) no . .
F7 H11 2.7765 no . 4_554
F7 H25 2.6765 no . .
F7 H26 2.5166 no . .
F7 H34 3.3946 no . .
F7 H45 2.8026 no . 4_554
F7 H46 3.5937 no . 4_554
F8 O3 3.22(3) no . 2_656
F8 C19 3.433(16) no . 3_656
F8 C63 3.25(4) no . 2_656
F8 H7 3.2398 no . 3_656
F8 H15 2.6303 no . 3_656
F8 H16 3.3302 no . 3_656
F8 H63A 3.2124 no . 4_544
F8 H63B 3.1397 no . 2_656
F8 H63C 2.9058 no . 2_656
F8 H63C 3.4241 no . 4_544
F9 C41 3.208(13) no . .
F9 C42 3.252(16) no . .
F9 C52 3.405(14) no . .
F9 C53 3.552(15) no . .
F9 C63 3.35(4) no . 2_656
F9 H25 3.0607 no . .
F9 H33 2.7265 no . .
F9 H34 2.8164 no . .
F9 H63A 3.5139 no . 4_544
F9 H63B 2.6064 no . 2_656
F9 H63C 3.4435 no . 2_656
F9 H63C 3.1668 no . 4_544
F10 C8 2.984(12) no . 3_656
F10 C9 3.184(12) no . 3_656
F10 C57 3.130(14) no . 4_554
F10 C58 3.244(15) no . 4_554
F10 H6 2.5022 no . 3_656
F10 H7 2.8912 no . 3_656
F10 H12 3.4250 no . 4_554
F10 H15 2.8533 no . 3_656
F10 H45 2.6186 no . 4_554
F10 H46 2.8518 no . 4_554
F11 F13 3.181(15) no . .
F11 C13 3.55(2) no . 4_554
F11 C14 3.414(18) no . 4_554
F11 C53 3.271(18) no . .
F11 C54 3.218(17) no . .
F11 H7 2.9924 no . 3_656
F11 H11 2.9925 no . 4_554
F11 H12 2.7275 no . 4_554
F11 H42 3.3352 no . .
F11 H43 3.1879 no . .
F12 C42 3.493(17) no . .
F12 C63 3.18(4) no . 4_544
F12 H15 2.8631 no . 3_656
F12 H34 2.7040 no . .
F12 H46 3.1208 no . 4_554
F12 H61A 2.7686 no . 4_544
F12 H63A 2.3909 no . 4_544
F12 H63C 3.1425 no . 4_544
F19 C32 3.162(18) no . 4_555
F19 C33 3.265(18) no . 4_555
F19 H26 2.5024 no . 4_555
F19 H27 2.6986 no . 4_555
F19 H45 3.5344 no . .
F20 C29 3.431(13) no . 1_565
F20 C30 3.387(11) no . 1_565
F20 C34 3.231(12) no . 2_756
F20 C47 3.456(14) no . 2_756
F20 H23 3.0086 no . 1_565
F20 H24 2.8844 no . 1_565
F20 H28 2.3801 no . 2_756
F20 H29 2.8818 no . 2_756
F20 H37 3.0790 no . 2_756
F20 H38 3.3918 no . 2_756
F21 C29 3.552(15) no . 1_565
F21 C30 3.324(13) no . 1_565
F21 C58 3.281(13) no . .
F21 C61 3.526(15) no . 1_565
F21 H23 3.0530 no . 1_565
F21 H24 2.5534 no . 1_565
F21 H46 2.9798 no . .
F21 H61A 3.0909 no . 1_565
F21 H61B 3.3583 no . 1_565
F22 C47 3.340(16) no . 2_756
F22 H27 3.3904 no . 2_756
F22 H27 3.3204 no . 4_555
F22 H28 3.3463 no . 2_756
F22 H31 3.5553 no . .
F22 H36 2.8479 no . 2_756
F22 H37 2.4937 no . 2_756
F23 C39 3.599(14) no . .
F23 C40 3.395(13) no . .
F23 C47 3.384(15) no . 2_756
F23 C48 3.395(16) no . 2_756
F23 H23 2.7682 no . 1_565
F23 H31 3.0988 no . .
F23 H32 2.6808 no . .
F23 H37 2.7774 no . 2_756
F23 H38 2.7892 no . 2_756
F24 C43 3.46(2) no . 4_555
F24 H19 3.4019 no . 1_565
F24 H27 3.3617 no . 4_555
F24 H28 3.5517 no . 2_756
F24 H35 2.7580 no . 4_555
F24 H36 3.5616 no . 4_555
F15 C59 3.563(14) no . 3_666
F15 C60 3.397(13) no . 3_666
F15 H2 3.0858 no . 2_656
F15 H3 3.3750 no . 2_656
F15 H22 3.5471 no . 3_656
F15 H47 3.0415 no . 3_666
F15 H48 2.6835 no . 3_666
F15 H62C 3.4860 no . 2_656
F18 F18 3.392(14) no . 3_666
F18 C3 3.139(15) no . 2_656
F18 C3 3.247(15) no . 4_554
F18 C4 3.293(15) no . 4_554
F18 C54 3.490(15) no . 3_666
F18 H3 2.3185 no . 2_656
F18 H3 2.6438 no . 4_554
F18 H4 2.7220 no . 4_554
F18 H42 3.4389 no . .
F18 H43 3.3819 no . .
F18 H43 3.1957 no . 3_666
F16 C4 3.243(13) no . 4_554
F16 C17 3.318(14) no . 4_554
F16 C18 3.431(16) no . 4_554
F16 C59 3.208(13) no . 3_666
F16 C60 3.515(12) no . 3_666
F16 H4 2.4537 no . 4_554
F16 H5 3.1499 no . 4_554
F16 H13 2.8880 no . 4_554
F16 H14 3.1135 no . 4_554
F16 H47 2.7238 no . 3_666
F16 H48 3.2926 no . 3_666
F17 O2 3.447(19) no . 2_656
F17 O3 3.49(3) no . 2_656
F17 C2 3.516(14) no . 2_656
F17 C3 3.185(14) no . 2_656
F17 C53 3.530(12) no . .
F17 C62 3.32(2) no . 2_656
F17 H2 3.5121 no . 2_656
F17 H3 2.8838 no . 2_656
F17 H42 2.6361 no . .
F17 H62A 3.3916 no . 2_656
F17 H62C 2.7220 no . 2_656
F14 C9 3.280(15) no . 3_656
F14 C10 3.087(14) no . 3_656
F14 H7 2.8656 no . 3_656
F14 H8 2.4447 no . 3_656
F14 H13 3.2065 no . 4_554
F14 H14 3.3030 no . 4_554
F14 H47 2.8004 no . 3_666
F13 F11 3.181(15) no . .
F13 C9 3.520(12) no . 3_656
F13 C14 3.519(14) no . 4_554
F13 C17 3.251(13) no . 4_554
F13 H3 3.4616 no . 4_554
F13 H4 3.4649 no . 4_554
F13 H7 2.6617 no . 3_656
F13 H12 2.6952 no . 4_554
F13 H13 2.3649 no . 4_554
F13 H42 3.4167 no . .
F13 H43 3.1398 no . .
O1 Cu1 2.533(7) no . .
O1 O2 2.715(18) no . .
O1 N1 2.973(9) no . .
O1 N2 2.989(8) no . .
O1 N5 3.334(10) no . .
O1 N6 3.393(10) no . .
O1 C5 3.405(10) no . .
O1 C6 3.404(10) no . .
O1 C25 3.161(11) no . .
O1 C30 3.282(12) no . .
O1 H20 2.4275 no . .
O1 H24 2.6567 no . .
O2 F17 3.447(19) no . 2_646
O2 O1 2.715(18) no . .
O2 O3 2.38(3) no . .
O2 N1 3.589(17) no . .
O2 C1 3.561(18) no . .
O2 C61 3.39(2) no . .
O2 C63 3.42(4) no . .
O2 H20 3.1960 no . .
O2 H61A 3.3456 no . .
O2 H61C 3.4359 no . .
O2 H63A 3.3078 no . .
O3 F8 3.22(3) no . 2_646
O3 F17 3.49(3) no . 2_646
O3 O2 2.38(3) no . .
O3 C52 3.53(3) no . 2_646
O3 C53 3.50(3) no . 2_646
O3 C62 3.24(3) no . .
O3 H34 3.3669 no . 4_545
O3 H41 3.0411 no . 2_646
O3 H42 3.0085 no . 2_646
O3 H62C 3.0484 no . .
N1 O1 2.973(9) no . .
N1 O2 3.589(17) no . .
N2 O1 2.989(8) no . .
N2 C61 3.399(13) no . .
N2 H61B 3.3064 no . .
N2 H61C 3.2747 no . .
N3 S4 3.305(7) no . .
N4 S3 3.411(7) no . .
N5 O1 3.334(10) no . .
N6 O1 3.393(10) no . .
N6 H30 3.5788 no . 2_746
N6 H61B 3.4586 no . .
N7 F1 3.290(14) no . .
N8 F6 3.34(2) no . .
N9 S2 3.406(7) no . .
N10 S1 3.384(7) no . .
C1 F5 3.258(15) no . 4_555
C1 O2 3.561(18) no . .
C1 H62A 2.9483 no . .
C2 F5 3.323(17) no . 4_555
C2 F17 3.516(14) no . 2_646
C2 H43 3.4029 no . 4_555
C2 H62A 3.0838 no . .
C3 F18 3.139(15) no . 2_646
C3 F18 3.247(15) no . 4_555
C3 F17 3.185(14) no . 2_646
C3 H42 3.4008 no . 2_646
C3 H43 3.0880 no . 4_555
C4 F18 3.293(15) no . 4_555
C4 F16 3.243(13) no . 4_555
C4 H42 3.1875 no . 2_646
C5 O1 3.405(10) no . .
C6 O1 3.404(10) no . .
C6 H61C 3.4200 no . .
C7 H41 3.5364 no . 2_646
C8 F10 2.984(12) no . 3_656
C8 H13 3.5591 no . 2_646
C9 F10 3.184(12) no . 3_656
C9 F14 3.280(15) no . 3_656
C9 F13 3.520(12) no . 3_656
C9 H13 3.0795 no . 2_646
C10 F14 3.087(14) no . 3_656
C10 H61B 3.3285 no . .
C10 H61C 3.5754 no . .
C11 S4 3.432(9) no . .
C11 F5 3.584(14) no . 4_555
C11 H40 3.5540 no . .
C12 F5 3.211(15) no . 4_555
C13 F7 3.454(19) no . 4_555
C13 F11 3.55(2) no . 4_555
C13 H43 3.4679 no . 4_555
C13 H44 3.4434 no . 4_555
C14 F11 3.414(18) no . 4_555
C14 F13 3.519(14) no . 4_555
C14 H43 3.5710 no . 4_555
C15 S4 3.521(8) no . .
C17 F16 3.318(14) no . 4_555
C17 F13 3.251(13) no . 4_555
C17 H7 3.3695 no . 2_656
C18 F16 3.431(16) no . 4_555
C18 H61B 3.4159 no . 2_656
C18 H61C 3.1662 no . 2_656
C19 F8 3.433(16) no . 3_656
C19 H61C 3.4827 no . 2_656
C20 S3 3.531(9) no . .
C21 H29 3.3092 no . 2_746
C22 F1 3.322(15) no . 2_746
C22 F4 3.384(16) no . 2_746
C22 C37 3.412(15) no . 2_746
C22 H29 3.1111 no . 2_746
C23 F1 3.347(17) no . 2_746
C23 C34 3.492(15) no . 2_746
C23 H28 3.1116 no . 2_746
C23 H29 3.3315 no . 2_746
C24 H28 3.2526 no . 2_746
C25 O1 3.161(11) no . .
C25 H62A 3.4854 no . .
C26 H30 3.1776 no . 2_746
C27 H30 2.9419 no . 2_746
C27 H62B 3.5366 no . 4_544
C27 H62C 3.0939 no . 4_544
C28 F2 3.35(3) no . 1_545
C28 H30 3.1807 no . 2_746
C29 F20 3.431(13) no . 1_545
C29 F21 3.552(15) no . 1_545
C29 H30 3.5175 no . 2_746
C29 H38 3.3232 no . 2_746
C29 H47 3.1812 no . 1_545
C30 F20 3.387(11) no . 1_545
C30 F21 3.324(13) no . 1_545
C30 O1 3.282(12) no . .
C30 H61B 3.0115 no . .
C31 F7 3.270(13) no . .
C31 H11 3.2807 no . 4_554
C32 F7 3.175(13) no . .
C32 F19 3.162(18) no . 4_554
C33 F19 3.265(18) no . 4_554
C34 F20 3.231(12) no . 2_746
C34 C23 3.492(15) no . 2_756
C34 H18 3.2204 no . 2_756
C35 F1 3.213(14) no . .
C36 F1 3.431(16) no . .
C36 F6 3.60(2) no . .
C37 C22 3.412(15) no . 2_756
C37 H17 3.4058 no . 2_756
C39 F23 3.599(14) no . .
C39 C47 3.549(14) no . 2_756
C39 H37 3.1931 no . 2_756
C39 H38 3.3879 no . 2_756
C40 F6 3.517(18) no . .
C40 F23 3.395(13) no . .
C40 H38 3.4455 no . 2_756
C41 S2 3.586(10) no . .
C41 F9 3.208(13) no . .
C42 F9 3.252(16) no . .
C42 F12 3.493(17) no . .
C42 H62B 3.5304 no . 4_544
C42 H63C 3.5898 no . 4_544
C43 F24 3.46(2) no . 4_554
C43 H62B 3.0345 no . 4_544
C47 F20 3.456(14) no . 2_746
C47 F22 3.340(16) no . 2_746
C47 F23 3.384(15) no . 2_746
C47 C39 3.549(14) no . 2_746
C47 H31 2.9800 no . 2_746
C48 F6 3.355(17) no . 2_746
C48 F23 3.395(16) no . 2_746
C48 H23 3.4514 no . 2_756
C48 H31 3.3920 no . 2_746
C49 F6 3.349(19) no . 2_746
C50 S1 3.447(9) no . .
C50 H9 3.5875 no . .
C51 H5 3.5661 no . 2_656
C52 F9 3.405(14) no . .
C52 O3 3.53(3) no . 2_656
C52 H4 3.5698 no . 2_656
C52 H5 3.2030 no . 2_656
C52 H63B 3.0062 no . 2_656
C53 F9 3.552(15) no . .
C53 F11 3.271(18) no . .
C53 F17 3.530(12) no . .
C53 O3 3.50(3) no . 2_656
C53 H4 3.1454 no . 2_656
C54 F11 3.218(17) no . .
C54 F18 3.490(15) no . 3_666
C54 H3 3.3263 no . 4_554
C54 H11 3.2994 no . 4_554
C55 F3 3.212(18) no . .
C55 H11 3.1718 no . 4_554
C56 H6 3.5236 no . 2_656
C57 F10 3.130(14) no . 4_555
C57 H6 3.0804 no . 2_656
C58 F10 3.244(15) no . 4_555
C58 F21 3.281(13) no . .
C58 H6 3.3713 no . 2_656
C58 H61B 3.4413 no . 1_565
C59 F15 3.563(14) no . 3_666
C59 F16 3.208(13) no . 3_666
C59 H23 3.2020 no . 1_565
C59 H61B 3.5354 no . 1_565
C60 F15 3.397(13) no . 3_666
C60 F16 3.515(12) no . 3_666
C60 H23 3.5828 no . 1_565
C61 Cu1 3.569(12) no . .
C61 F21 3.526(15) no . 1_545
C61 O2 3.39(2) no . .
C61 N2 3.399(13) no . .
C61 H14 2.9743 no . 2_646
C61 H24 3.0430 no . .
C61 H46 3.1782 no . 1_545
C61 H63A 3.3287 no . .
C62 F17 3.32(2) no . 2_646
C62 O3 3.24(3) no . .
C62 H20 3.2589 no . .
C62 H21 2.9284 no . 4_545
C62 H35 3.4760 no . 4_545
C63 F8 3.25(4) no . 2_646
C63 F9 3.35(4) no . 2_646
C63 F12 3.18(4) no . 4_545
C63 O2 3.42(4) no . .
C63 H34 3.1612 no . 4_545
C63 H41 3.0475 no . 2_646
C63 H63B 3.5131 no . 3_647
C63 H63C 2.9194 no . 3_647
H1 F5 2.5772 no . 4_555
H1 H62A 2.8432 no . .
H2 F2 3.5976 no . 4_555
H2 F3 2.9649 no . 4_555
H2 F5 2.7332 no . 4_555
H2 F15 3.0858 no . 2_646
H2 F17 3.5121 no . 2_646
H2 H43 3.0982 no . 4_555
H2 H44 2.9981 no . 4_555
H2 H62A 3.0971 no . .
H3 P3 3.4793 no . 2_646
H3 F15 3.3750 no . 2_646
H3 F18 2.3185 no . 2_646
H3 F18 2.6438 no . 4_555
H3 F17 2.8838 no . 2_646
H3 F13 3.4616 no . 4_555
H3 C54 3.3263 no . 4_555
H3 H42 3.2857 no . 2_646
H3 H43 2.5033 no . 4_555
H4 P3 3.5397 no . 4_555
H4 F18 2.7220 no . 4_555
H4 F16 2.4537 no . 4_555
H4 F13 3.4649 no . 4_555
H4 C52 3.5698 no . 2_646
H4 C53 3.1454 no . 2_646
H4 H42 2.9500 no . 2_646
H5 F16 3.1499 no . 4_555
H5 C51 3.5661 no . 2_646
H5 C52 3.2030 no . 2_646
H5 H41 3.1806 no . 2_646
H6 F10 2.5022 no . 3_656
H6 C56 3.5236 no . 2_646
H6 C57 3.0804 no . 2_646
H6 C58 3.3713 no . 2_646
H6 H12 3.5091 no . 2_646
H6 H13 3.4775 no . 2_646
H6 H45 3.1056 no . 2_646
H6 H46 3.5811 no . 2_646
H7 P3 3.5591 no . 3_656
H7 F8 3.2398 no . 3_656
H7 F10 2.8912 no . 3_656
H7 F11 2.9924 no . 3_656
H7 F14 2.8656 no . 3_656
H7 F13 2.6617 no . 3_656
H7 C17 3.3695 no . 2_646
H7 H12 3.0590 no . 2_646
H7 H13 2.6082 no . 2_646
H8 F14 2.4447 no . 3_656
H8 H61B 3.2967 no . .
H9 F5 3.5372 no . 4_555
H9 C50 3.5875 no . .
H9 H40 3.1733 no . .
H10 F1 3.0308 no . 4_555
H10 F5 2.8640 no . 4_555
H11 F7 2.7765 no . 4_555
H11 F11 2.9925 no . 4_555
H11 C31 3.2807 no . 4_555
H11 C54 3.2994 no . 4_555
H11 C55 3.1718 no . 4_555
H11 H25 2.7905 no . 4_555
H11 H26 3.4826 no . 4_555
H11 H43 3.0587 no . 4_555
H11 H44 2.8559 no . 4_555
H12 F10 3.4250 no . 4_555
H12 F11 2.7275 no . 4_555
H12 F13 2.6952 no . 4_555
H12 H6 3.5091 no . 2_656
H12 H7 3.0590 no . 2_656
H12 H43 3.2768 no . 4_555
H13 P3 3.3815 no . 4_555
H13 F16 2.8880 no . 4_555
H13 F14 3.2065 no . 4_555
H13 F13 2.3649 no . 4_555
H13 C8 3.5591 no . 2_656
H13 C9 3.0795 no . 2_656
H13 H6 3.4775 no . 2_656
H13 H7 2.6082 no . 2_656
H14 F16 3.1135 no . 4_555
H14 F14 3.3030 no . 4_555
H14 C61 2.9743 no . 2_656
H14 H46 3.2163 no . 2_646
H14 H47 3.1272 no . 2_646
H14 H61A 3.3175 no . 2_656
H14 H61B 2.5511 no . 2_656
H14 H61C 2.6333 no . 2_656
H15 P2 3.3928 no . 3_656
H15 F8 2.6303 no . 3_656
H15 F10 2.8533 no . 3_656
H15 F12 2.8631 no . 3_656
H15 H46 3.5191 no . 2_646
H15 H61A 3.4708 no . 2_656
H15 H61C 3.2123 no . 2_656
H15 H63A 3.1395 no . 2_656
H16 F8 3.3302 no . 3_656
H16 H33 3.4035 no . .
H17 P1 3.3446 no . 2_746
H17 F1 2.6975 no . 2_746
H17 F4 2.5714 no . 2_746
H17 F6 2.7687 no . 2_746
H17 C37 3.4058 no . 2_746
H17 H29 3.3667 no . 2_746
H18 F1 2.7480 no . 2_746
H18 F4 3.5301 no . 2_746
H18 C34 3.2204 no . 2_746
H18 H28 3.0917 no . 2_746
H19 F24 3.4019 no . 1_545
H19 H28 3.3141 no . 2_746
H19 H62B 3.5634 no . .
H20 O1 2.4275 no . .
H20 O2 3.1960 no . .
H20 C62 3.2589 no . .
H20 H62A 2.9921 no . .
H20 H62B 3.0872 no . .
H21 C62 2.9284 no . 4_544
H21 H30 3.1915 no . 2_746
H21 H62A 3.2154 no . 4_544
H21 H62B 2.6424 no . 4_544
H21 H62C 2.4928 no . 4_544
H22 P1 3.5731 no . 1_545
H22 F2 2.4011 no . 1_545
H22 F6 3.4288 no . 1_545
H22 F15 3.5471 no . 3_656
H22 H38 3.3792 no . 2_746
H22 H39 3.2041 no . 2_746
H23 P4 3.5835 no . 1_545
H23 F20 3.0086 no . 1_545
H23 F21 3.0530 no . 1_545
H23 F23 2.7682 no . 1_545
H23 C48 3.4514 no . 2_746
H23 C59 3.2020 no . 1_545
H23 C60 3.5828 no . 1_545
H23 H38 2.6856 no . 2_746
H23 H47 2.9586 no . 1_545
H24 P4 3.5875 no . 1_545
H24 F20 2.8844 no . 1_545
H24 F21 2.5534 no . 1_545
H24 O1 2.6567 no . .
H24 C61 3.0430 no . .
H24 H61A 3.3686 no . .
H24 H61B 2.6205 no . .
H25 F7 2.6765 no . .
H25 F9 3.0607 no . .
H25 H11 2.7905 no . 4_554
H26 F7 2.5166 no . .
H26 F19 2.5024 no . 4_554
H26 H11 3.4826 no . 4_554
H27 F19 2.6986 no . 4_554
H27 F22 3.3904 no . 2_746
H27 F22 3.3204 no . 4_554
H27 F24 3.3617 no . 4_554
H28 F20 2.3801 no . 2_746
H28 F22 3.3463 no . 2_746
H28 F24 3.5517 no . 2_746
H28 C23 3.1116 no . 2_756
H28 C24 3.2526 no . 2_756
H28 H18 3.0917 no . 2_756
H28 H19 3.3141 no . 2_756
H29 F20 2.8818 no . 2_746
H29 C21 3.3092 no . 2_756
H29 C22 3.1111 no . 2_756
H29 C23 3.3315 no . 2_756
H29 H17 3.3667 no . 2_756
H30 S1 3.2911 no . 2_756
H30 N6 3.5788 no . 2_756
H30 C26 3.1776 no . 2_756
H30 C27 2.9419 no . 2_756
H30 C28 3.1807 no . 2_756
H30 C29 3.5175 no . 2_756
H30 H21 3.1915 no . 2_756
H31 F22 3.5553 no . .
H31 F23 3.0988 no . .
H31 C47 2.9800 no . 2_756
H31 C48 3.3920 no . 2_756
H32 F23 2.6808 no . .
H33 F9 2.7265 no . .
H34 P2 3.5165 no . .
H34 F7 3.3946 no . .
H34 F9 2.8164 no . .
H34 F12 2.7040 no . .
H34 O3 3.3669 no . 4_544
H34 C63 3.1612 no . 4_544
H35 F24 2.7580 no . 4_554
H35 C62 3.4760 no . 4_544
H35 H62B 2.5996 no . 4_544
H36 F22 2.8479 no . 2_746
H36 F24 3.5616 no . 4_554
H36 H31 3.4320 no . 2_746
H37 P4 3.3892 no . 2_746
H37 F20 3.0790 no . 2_746
H37 F22 2.4937 no . 2_746
H37 F23 2.7774 no . 2_746
H37 C39 3.1931 no . 2_746
H37 H31 2.4462 no . 2_746
H38 F6 2.9080 no . 2_746
H38 F20 3.3918 no . 2_746
H38 F23 2.7892 no . 2_746
H38 C29 3.3232 no . 2_756
H38 C39 3.3879 no . 2_746
H38 C40 3.4455 no . 2_746
H39 F2 3.1294 no . 2_746
H39 F4 3.1881 no . 2_746
H39 F6 2.8998 no . 2_746
H40 C11 3.5540 no . .
H41 O3 3.0411 no . 2_656
H41 C7 3.5364 no . 2_656
H41 C63 3.0475 no . 2_656
H41 H5 3.1806 no . 2_656
H42 F11 3.3352 no . .
H42 F18 3.4389 no . .
H42 F17 2.6361 no . .
H42 F13 3.4167 no . .
H42 O3 3.0085 no . 2_656
H42 C3 3.4008 no . 2_656
H42 C4 3.1875 no . 2_656
H43 F11 3.1879 no . .
H43 F18 3.3819 no . .
H43 F18 3.1957 no . 3_666
H43 F13 3.1398 no . .
H43 C2 3.4029 no . 4_554
H43 C3 3.0880 no . 4_554
H43 C13 3.4679 no . 4_554
H43 C14 3.5710 no . 4_554
H44 F3 2.3474 no . .
H44 C13 3.4434 no . 4_554
H44 H2 2.9981 no . 4_554
H45 P2 3.5574 no . 4_555
H45 F7 2.8026 no . 4_555
H45 F10 2.6186 no . 4_555
H45 F19 3.5344 no . .
H46 F7 3.5937 no . 4_555
H46 F10 2.8518 no . 4_555
H46 F12 3.1208 no . 4_555
H46 F21 2.9798 no . .
H46 C61 3.1782 no . 1_565
H46 H6 3.5811 no . 2_656
H47 P3 3.5036 no . 3_666
H47 F15 3.0415 no . 3_666
H47 F16 2.7238 no . 3_666
H47 F14 2.8004 no . 3_666
H47 C29 3.1812 no . 1_565
H48 F3 2.7966 no . .
H48 F15 2.6835 no . 3_666
H48 F16 3.2926 no . 3_666
H61A F12 2.7686 no . 4_545
H61A F21 3.0909 no . 1_545
H61A O2 3.3456 no . .
H61B Cu1 3.5530 no . .
H61B F21 3.3583 no . 1_545
H61B N2 3.3064 no . .
H61B N6 3.4586 no . .
H61B C10 3.3285 no . .
H61B C18 3.4159 no . 2_646
H61B C30 3.0115 no . .
H61B C58 3.4413 no . 1_545
H61B C59 3.5354 no . 1_545
H61B H8 3.2967 no . .
H61C O2 3.4359 no . .
H61C N2 3.2747 no . .
H61C C6 3.4200 no . .
H61C C10 3.5754 no . .
H61C C18 3.1662 no . 2_646
H61C C19 3.4827 no . 2_646
H62A F2 3.3661 no . 4_555
H62A F17 3.3916 no . 2_646
H62A C1 2.9483 no . .
H62A C2 3.0838 no . .
H62A C25 3.4854 no . .
H62B C27 3.5366 no . 4_545
H62B C42 3.5304 no . 4_545
H62B C43 3.0345 no . 4_545
H62C F15 3.4860 no . 2_646
H62C F17 2.7220 no . 2_646
H62C O3 3.0484 no . .
H62C C27 3.0939 no . 4_545
H63A P2 3.5335 no . 4_545
H63A F8 3.2124 no . 4_545
H63A F9 3.5139 no . 4_545
H63A F12 2.3909 no . 4_545
H63A O2 3.3078 no . .
H63A C61 3.3287 no . .
H63B F8 3.1397 no . 2_646
H63B F9 2.6064 no . 2_646
H63B C52 3.0062 no . 2_646
H63B C63 3.5131 no . 3_647
H63C F8 2.9058 no . 2_646
H63C F8 3.4241 no . 4_545
H63C F9 3.4435 no . 2_646
H63C F9 3.1668 no . 4_545
H63C F12 3.1425 no . 4_545
H63C C42 3.5898 no . 4_545
H63C C63 2.9194 no . 3_647

# start Validation Reply Form
_vrf_PLAT601_syn-PtCu-MeOH_revisedMK 
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of . 115 Ang3
RESPONSE: Some solvated methanol molecules in this crystal are easily 
released once the crystals are picked out of the solution. 
Accorindg to the TG analysis, the crystal included almost 1.5 molecules 
of solvated MeOH per the dinuclear complex. It is consistent to the result 
of this analysis. We could not find distinct electron densities for extra 
solvent molecules in the void though 
there were several small peaks less than 1.6 e/A3.
;
# end Validation Reply Form
#==============================================================================
#     End of CIF
#==============================================================================
_database_code_depnum_ccdc_archive 'CCDC 982638'
