# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1828b
_database_code_depnum_ccdc_archive 'CCDC 1588182'
_audit_update_record             
;
2018-04-05 deposited with the CCDC.
2018-04-18 downloaded from the CCDC.
;

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

_chemical_formula_sum            'C21 H29 F12 N7 P2 Pt'
_chemical_formula_moiety         'C21 H29 F12 N7 P2 Pt'
_chemical_formula_weight         864.53
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
_space_group_IT_number           14
loop_
_space_group_symop_id
_space_group_symop_operation_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                   12.454(3)
_cell_length_b                   16.341(4)
_cell_length_c                   15.741(4)
_cell_angle_alpha                90.0000
_cell_angle_beta                 112.102(4)
_cell_angle_gamma                90.0000
_cell_volume                     2968.0(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7496
_cell_measurement_theta_min      1.87
_cell_measurement_theta_max      29.13
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_exptl_crystal_density_diffrn    1.935
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1680.00
_exptl_absorpt_coefficient_mu    4.918
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.305
_exptl_absorpt_correction_T_max  0.374

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

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 29.257
_diffrn_reflns_number            16875
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_theta_max         29.168
_diffrn_reflns_theta_min         1.872
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       11
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             7888
_reflns_number_gt                6397
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# 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).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0269
_refine_ls_wR_factor_ref         0.0609
_refine_ls_wR_factor_gt          0.0547
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         7888
_refine_ls_number_parameters     389
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0267P)²+1.0972P] 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          0.003
_refine_diff_density_max         2.14
_refine_diff_density_min         -1.63
_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
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.05083(2) 0.57216(2) 0.24320(2) 0.01200(4) Uani 1 1 d . . . . .
N11 N 0.1342(2) 0.57196(14) 0.15486(18) 0.0132(5) Uani 1 1 d . . . . .
C12 C 0.0683(3) 0.59341(18) 0.0668(2) 0.0143(6) Uani 1 1 d . . . . .
C13 C 0.1115(3) 0.5999(2) -0.0011(2) 0.0197(7) Uani 1 1 d . . . . .
H13 H 0.063795 0.614320 -0.060503 0.024 Uiso 1 1 calc R U . . .
C14 C 0.2288(3) 0.58436(19) 0.0215(2) 0.0228(7) Uani 1 1 d . . . . .
H14 H 0.261260 0.588556 -0.022781 0.027 Uiso 1 1 calc R U . . .
C15 C 0.2966(3) 0.56259(19) 0.1104(2) 0.0206(7) Uani 1 1 d . . . . .
H15 H 0.375053 0.551610 0.126394 0.025(10) Uiso 1 1 calc R . . . .
C16 C 0.2475(3) 0.55727(19) 0.1749(2) 0.0183(7) Uani 1 1 d . . . . .
H16 H 0.294142 0.543016 0.234669 0.022 Uiso 1 1 calc R U . . .
N121 N -0.0471(2) 0.60876(16) 0.05539(17) 0.0143(5) Uani 1 1 d . . . . .
C122 C -0.0775(2) 0.60591(19) 0.1299(2) 0.0143(6) Uani 1 1 d . . . . .
N123 N -0.1912(2) 0.62291(15) 0.09779(18) 0.0154(5) Uani 1 1 d . . . . .
C124 C -0.2310(3) 0.63564(19) 0.0028(2) 0.0178(7) Uani 1 1 d . . . . .
H124 H -0.306809 0.648006 -0.035167 0.021 Uiso 1 1 calc R U . . .
C125 C -0.1425(3) 0.62711(19) -0.0241(2) 0.0191(7) Uani 1 1 d . . . . .
H125 H -0.143747 0.632271 -0.083319 0.023 Uiso 1 1 calc R U . . .
C126 C -0.2679(3) 0.6288(2) 0.1503(2) 0.0202(7) Uani 1 1 d . . . . .
H126 H -0.218659 0.629661 0.215685 0.024 Uiso 1 1 calc R U . . .
C127 C -0.3354(3) 0.7091(2) 0.1276(3) 0.0308(8) Uani 1 1 d . . . . .
H12A H -0.384855 0.712628 0.161745 0.037 Uiso 1 1 calc R U . . .
H12B H -0.282058 0.754202 0.143582 0.037 Uiso 1 1 calc R U . . .
H12C H -0.381597 0.710952 0.063169 0.037 Uiso 1 1 calc R U . . .
C128 C -0.3450(3) 0.5548(2) 0.1330(3) 0.0375(10) Uani 1 1 d . . . . .
H12D H -0.394122 0.559440 0.167350 0.045 Uiso 1 1 calc R U . . .
H12E H -0.391902 0.551296 0.068794 0.045 Uiso 1 1 calc R U . . .
H12F H -0.298148 0.506500 0.151773 0.045 Uiso 1 1 calc R U . . .
N21 N -0.0350(2) 0.57781(15) 0.32825(17) 0.0153(5) Uani 1 1 d . . . . .
N22 N -0.0548(2) 0.65127(17) 0.36053(18) 0.0177(6) Uani 1 1 d . . . . .
H22 H -0.027262 0.697062 0.350863 0.021 Uiso 1 1 calc R U . . .
C23 C -0.1225(3) 0.6435(2) 0.4094(2) 0.0223(7) Uani 1 1 d . . . . .
C231 C -0.1582(3) 0.7156(2) 0.4496(3) 0.0327(9) Uani 1 1 d . . . . .
H23A H -0.206043 0.698088 0.481776 0.039 Uiso 1 1 calc R U . . .
H23B H -0.090571 0.742696 0.491457 0.039 Uiso 1 1 calc R U . . .
H23C H -0.201017 0.752774 0.401531 0.039 Uiso 1 1 calc R U . . .
C24 C -0.1454(3) 0.5616(2) 0.4101(3) 0.0285(8) Uani 1 1 d . . . . .
H24 H -0.189218 0.536828 0.439442 0.034 Uiso 1 1 calc R U . . .
C25 C -0.0909(3) 0.5220(2) 0.3586(2) 0.0222(7) Uani 1 1 d . . . . .
C251 C -0.0881(3) 0.4337(2) 0.3370(3) 0.0303(8) Uani 1 1 d . . . . .
H25A H -0.132744 0.403285 0.364396 0.036 Uiso 1 1 calc R U . . .
H25B H -0.120403 0.426147 0.271774 0.036 Uiso 1 1 calc R U . . .
H25C H -0.009423 0.414642 0.361005 0.036 Uiso 1 1 calc R U . . .
N31 N 0.1929(2) 0.53019(15) 0.35249(17) 0.0155(5) Uani 1 1 d . . . . .
N32 N 0.2286(2) 0.45138(16) 0.35525(18) 0.0170(6) Uani 1 1 d . . . . .
H32 H 0.195540 0.415630 0.313463 0.020 Uiso 1 1 calc R U . . .
C33 C 0.3218(3) 0.4363(2) 0.4313(2) 0.0189(7) Uani 1 1 d . . . . .
C331 C 0.3780(3) 0.3548(2) 0.4493(3) 0.0275(8) Uani 1 1 d . . . . .
H33A H 0.442996 0.355951 0.506754 0.033 Uiso 1 1 calc R U . . .
H33B H 0.323300 0.314501 0.451922 0.033 Uiso 1 1 calc R U . . .
H33C H 0.404254 0.341215 0.401000 0.033 Uiso 1 1 calc R U . . .
C34 C 0.3477(3) 0.5085(2) 0.4797(2) 0.0191(7) Uani 1 1 d . . . . .
H34 H 0.408244 0.517370 0.535566 0.023 Uiso 1 1 calc R U . . .
C35 C 0.2657(3) 0.56571(19) 0.4290(2) 0.0164(6) Uani 1 1 d . . . . .
C351 C 0.2521(3) 0.6526(2) 0.4499(2) 0.0242(8) Uani 1 1 d . . . . .
H35A H 0.311981 0.667186 0.507255 0.029 Uiso 1 1 calc R U . . .
H35B H 0.257782 0.686697 0.402074 0.029 Uiso 1 1 calc R U . . .
H35C H 0.177709 0.660275 0.453874 0.029 Uiso 1 1 calc R U . . .
P11 P -0.02184(8) 0.86449(6) 0.26299(7) 0.0244(2) Uani 1 1 d . . . . .
F11 F -0.0997(2) 0.93658(14) 0.20468(18) 0.0481(7) Uani 1 1 d . . . . .
F12 F -0.13143(17) 0.82657(14) 0.27950(16) 0.0376(6) Uani 1 1 d . . . . .
F13 F -0.05203(19) 0.80963(14) 0.17314(16) 0.0423(6) Uani 1 1 d . . . . .
F14 F 0.05669(17) 0.78991(12) 0.32354(16) 0.0352(6) Uani 1 1 d . . . . .
F15 F 0.0886(2) 0.90013(15) 0.24846(17) 0.0408(6) Uani 1 1 d . . . . .
F16 F 0.01036(18) 0.91677(12) 0.35522(15) 0.0328(5) Uani 1 1 d . . . . .
P21 P 0.05999(7) 0.25394(6) 0.22171(6) 0.02093(19) Uani 1 1 d . . . . .
F21 F 0.02423(18) 0.16215(13) 0.22975(17) 0.0403(6) Uani 1 1 d . . . . .
F22 F 0.19293(17) 0.22913(13) 0.25253(17) 0.0383(6) Uani 1 1 d . . . . .
F23 F 0.09603(17) 0.34890(11) 0.21154(13) 0.0260(5) Uani 1 1 d . . . . .
F24 F -0.07171(17) 0.28225(14) 0.18971(16) 0.0364(5) Uani 1 1 d . . . . .
F25 F 0.0434(2) 0.24031(13) 0.11674(15) 0.0378(6) Uani 1 1 d . . . . .
F26 F 0.07820(19) 0.27196(14) 0.32532(14) 0.0354(5) Uani 1 1 d . . . . .


#==============================================================================
_computing_data_collection       DTREK
_computing_cell_refinement       DTREK
_computing_data_reduction        DTREK
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2017)'
_computing_molecular_graphics    'CrystalStructure 4.2'

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

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C122 1.973(3) . ?
Pt1 N21 2.005(3) . ?
Pt1 N11 2.024(3) . ?
Pt1 N31 2.066(2) . ?
N11 C16 1.347(4) . ?
N11 C12 1.365(4) . ?
C12 C13 1.369(4) . ?
C12 N121 1.402(4) . ?
C13 C14 1.391(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.382(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.371(5) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
N121 C122 1.362(4) . ?
N121 C125 1.396(4) . ?
C122 N123 1.342(4) . ?
N123 C124 1.403(4) . ?
N123 C126 1.483(4) . ?
C124 C125 1.328(5) . ?
C124 H124 0.9300 . ?
C125 H125 0.9300 . ?
C126 C128 1.504(5) . ?
C126 C127 1.526(5) . ?
C126 H126 0.9800 . ?
C127 H12A 0.9600 . ?
C127 H12B 0.9600 . ?
C127 H12C 0.9600 . ?
C128 H12D 0.9600 . ?
C128 H12E 0.9600 . ?
C128 H12F 0.9600 . ?
N21 C25 1.340(4) . ?
N21 N22 1.362(3) . ?
N22 C23 1.344(4) . ?
N22 H22 0.8600 . ?
C23 C24 1.369(5) . ?
C23 C231 1.483(5) . ?
C231 H23A 0.9600 . ?
C231 H23B 0.9600 . ?
C231 H23C 0.9600 . ?
C24 C25 1.396(5) . ?
C24 H24 0.9300 . ?
C25 C251 1.486(5) . ?
C251 H25A 0.9600 . ?
C251 H25B 0.9600 . ?
C251 H25C 0.9600 . ?
N31 C35 1.337(4) . ?
N31 N32 1.358(3) . ?
N32 C33 1.340(4) . ?
N32 H32 0.8600 . ?
C33 C34 1.375(4) . ?
C33 C331 1.481(4) . ?
C331 H33A 0.9600 . ?
C331 H33B 0.9600 . ?
C331 H33C 0.9600 . ?
C34 C35 1.393(4) . ?
C34 H34 0.9300 . ?
C35 C351 1.482(4) . ?
C351 H35A 0.9600 . ?
C351 H35B 0.9600 . ?
C351 H35C 0.9600 . ?
P11 F11 1.581(2) . ?
P11 F15 1.588(2) . ?
P11 F13 1.595(2) . ?
P11 F16 1.600(2) . ?
P11 F12 1.607(2) . ?
P11 F14 1.628(2) . ?
P21 F21 1.583(2) . ?
P21 F26 1.587(2) . ?
P21 F24 1.593(2) . ?
P21 F22 1.593(2) . ?
P21 F25 1.602(2) . ?
P21 F23 1.640(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C122 Pt1 N21 97.86(12) . . ?
C122 Pt1 N11 80.20(12) . . ?
N21 Pt1 N11 177.16(10) . . ?
C122 Pt1 N31 173.61(12) . . ?
N21 Pt1 N31 87.92(11) . . ?
N11 Pt1 N31 94.12(10) . . ?
C16 N11 C12 117.4(3) . . ?
C16 N11 Pt1 127.0(2) . . ?
C12 N11 Pt1 115.5(2) . . ?
N11 C12 C13 123.4(3) . . ?
N11 C12 N121 111.8(3) . . ?
C13 C12 N121 124.8(3) . . ?
C12 C13 C14 118.0(3) . . ?
C12 C13 H13 121.0 . . ?
C14 C13 H13 121.0 . . ?
C15 C14 C13 119.2(3) . . ?
C15 C14 H14 120.4 . . ?
C13 C14 H14 120.4 . . ?
C16 C15 C14 119.6(3) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
N11 C16 C15 122.3(3) . . ?
N11 C16 H16 118.8 . . ?
C15 C16 H16 118.8 . . ?
C122 N121 C125 111.2(3) . . ?
C122 N121 C12 119.2(2) . . ?
C125 N121 C12 129.7(3) . . ?
N123 C122 N121 105.3(3) . . ?
N123 C122 Pt1 141.2(3) . . ?
N121 C122 Pt1 113.3(2) . . ?
C122 N123 C124 109.4(3) . . ?
C122 N123 C126 127.8(3) . . ?
C124 N123 C126 122.8(3) . . ?
C125 C124 N123 108.8(3) . . ?
C125 C124 H124 125.6 . . ?
N123 C124 H124 125.6 . . ?
C124 C125 N121 105.4(3) . . ?
C124 C125 H125 127.3 . . ?
N121 C125 H125 127.3 . . ?
N123 C126 C128 110.3(3) . . ?
N123 C126 C127 109.8(3) . . ?
C128 C126 C127 113.0(3) . . ?
N123 C126 H126 107.8 . . ?
C128 C126 H126 107.8 . . ?
C127 C126 H126 107.8 . . ?
C126 C127 H12A 109.5 . . ?
C126 C127 H12B 109.5 . . ?
H12A C127 H12B 109.5 . . ?
C126 C127 H12C 109.5 . . ?
H12A C127 H12C 109.5 . . ?
H12B C127 H12C 109.5 . . ?
C126 C128 H12D 109.5 . . ?
C126 C128 H12E 109.5 . . ?
H12D C128 H12E 109.5 . . ?
C126 C128 H12F 109.5 . . ?
H12D C128 H12F 109.5 . . ?
H12E C128 H12F 109.5 . . ?
C25 N21 N22 106.0(3) . . ?
C25 N21 Pt1 133.3(2) . . ?
N22 N21 Pt1 120.4(2) . . ?
C23 N22 N21 111.8(3) . . ?
C23 N22 H22 124.1 . . ?
N21 N22 H22 124.1 . . ?
N22 C23 C24 105.9(3) . . ?
N22 C23 C231 121.5(3) . . ?
C24 C23 C231 132.6(3) . . ?
C23 C231 H23A 109.5 . . ?
C23 C231 H23B 109.5 . . ?
H23A C231 H23B 109.5 . . ?
C23 C231 H23C 109.5 . . ?
H23A C231 H23C 109.5 . . ?
H23B C231 H23C 109.5 . . ?
C23 C24 C25 107.4(3) . . ?
C23 C24 H24 126.3 . . ?
C25 C24 H24 126.3 . . ?
N21 C25 C24 108.9(3) . . ?
N21 C25 C251 121.3(3) . . ?
C24 C25 C251 129.8(3) . . ?
C25 C251 H25A 109.5 . . ?
C25 C251 H25B 109.5 . . ?
H25A C251 H25B 109.5 . . ?
C25 C251 H25C 109.5 . . ?
H25A C251 H25C 109.5 . . ?
H25B C251 H25C 109.5 . . ?
C35 N31 N32 106.3(2) . . ?
C35 N31 Pt1 133.1(2) . . ?
N32 N31 Pt1 120.59(19) . . ?
C33 N32 N31 111.5(3) . . ?
C33 N32 H32 124.3 . . ?
N31 N32 H32 124.3 . . ?
N32 C33 C34 106.3(3) . . ?
N32 C33 C331 121.6(3) . . ?
C34 C33 C331 132.0(3) . . ?
C33 C331 H33A 109.5 . . ?
C33 C331 H33B 109.5 . . ?
H33A C331 H33B 109.5 . . ?
C33 C331 H33C 109.5 . . ?
H33A C331 H33C 109.5 . . ?
H33B C331 H33C 109.5 . . ?
C33 C34 C35 106.9(3) . . ?
C33 C34 H34 126.6 . . ?
C35 C34 H34 126.6 . . ?
N31 C35 C34 109.1(3) . . ?
N31 C35 C351 121.4(3) . . ?
C34 C35 C351 129.5(3) . . ?
C35 C351 H35A 109.5 . . ?
C35 C351 H35B 109.5 . . ?
H35A C351 H35B 109.5 . . ?
C35 C351 H35C 109.5 . . ?
H35A C351 H35C 109.5 . . ?
H35B C351 H35C 109.5 . . ?
F11 P11 F15 91.07(15) . . ?
F11 P11 F13 90.89(14) . . ?
F15 P11 F13 90.36(13) . . ?
F11 P11 F16 91.06(13) . . ?
F15 P11 F16 89.99(13) . . ?
F13 P11 F16 178.01(14) . . ?
F11 P11 F12 90.49(14) . . ?
F15 P11 F12 178.44(15) . . ?
F13 P11 F12 89.74(13) . . ?
F16 P11 F12 89.85(13) . . ?
F11 P11 F14 179.11(16) . . ?
F15 P11 F14 89.81(13) . . ?
F13 P11 F14 89.29(13) . . ?
F16 P11 F14 88.76(12) . . ?
F12 P11 F14 88.64(12) . . ?
F21 P21 F26 91.68(13) . . ?
F21 P21 F24 90.76(12) . . ?
F26 P21 F24 90.18(13) . . ?
F21 P21 F22 91.49(12) . . ?
F26 P21 F22 90.23(13) . . ?
F24 P21 F22 177.70(13) . . ?
F21 P21 F25 91.12(13) . . ?
F26 P21 F25 177.20(13) . . ?
F24 P21 F25 89.78(13) . . ?
F22 P21 F25 89.71(14) . . ?
F21 P21 F23 179.06(13) . . ?
F26 P21 F23 89.21(11) . . ?
F24 P21 F23 88.93(12) . . ?
F22 P21 F23 88.81(11) . . ?
F25 P21 F23 87.99(11) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C16 N11 C12 C13 0.5(4) . . . . ?
Pt1 N11 C12 C13 177.1(2) . . . . ?
C16 N11 C12 N121 -178.7(2) . . . . ?
Pt1 N11 C12 N121 -2.0(3) . . . . ?
N11 C12 C13 C14 -0.5(5) . . . . ?
N121 C12 C13 C14 178.6(3) . . . . ?
C12 C13 C14 C15 0.4(5) . . . . ?
C13 C14 C15 C16 -0.5(5) . . . . ?
C12 N11 C16 C15 -0.5(4) . . . . ?
Pt1 N11 C16 C15 -176.7(2) . . . . ?
C14 C15 C16 N11 0.5(5) . . . . ?
N11 C12 N121 C122 3.9(4) . . . . ?
C13 C12 N121 C122 -175.3(3) . . . . ?
N11 C12 N121 C125 -175.6(3) . . . . ?
C13 C12 N121 C125 5.2(5) . . . . ?
C125 N121 C122 N123 -0.4(3) . . . . ?
C12 N121 C122 N123 180.0(3) . . . . ?
C125 N121 C122 Pt1 175.7(2) . . . . ?
C12 N121 C122 Pt1 -3.9(4) . . . . ?
N121 C122 N123 C124 0.5(3) . . . . ?
Pt1 C122 N123 C124 -173.8(3) . . . . ?
N121 C122 N123 C126 -179.2(3) . . . . ?
Pt1 C122 N123 C126 6.5(6) . . . . ?
C122 N123 C124 C125 -0.4(4) . . . . ?
C126 N123 C124 C125 179.3(3) . . . . ?
N123 C124 C125 N121 0.1(4) . . . . ?
C122 N121 C125 C124 0.2(4) . . . . ?
C12 N121 C125 C124 179.7(3) . . . . ?
C122 N123 C126 C128 -105.7(4) . . . . ?
C124 N123 C126 C128 74.7(4) . . . . ?
C122 N123 C126 C127 129.1(3) . . . . ?
C124 N123 C126 C127 -50.5(4) . . . . ?
C25 N21 N22 C23 -0.7(3) . . . . ?
Pt1 N21 N22 C23 174.2(2) . . . . ?
N21 N22 C23 C24 1.2(3) . . . . ?
N21 N22 C23 C231 -178.5(3) . . . . ?
N22 C23 C24 C25 -1.2(4) . . . . ?
C231 C23 C24 C25 178.5(3) . . . . ?
N22 N21 C25 C24 0.0(3) . . . . ?
Pt1 N21 C25 C24 -174.0(2) . . . . ?
N22 N21 C25 C251 -179.6(3) . . . . ?
Pt1 N21 C25 C251 6.4(5) . . . . ?
C23 C24 C25 N21 0.8(4) . . . . ?
C23 C24 C25 C251 -179.7(3) . . . . ?
C35 N31 N32 C33 0.0(4) . . . . ?
Pt1 N31 N32 C33 179.9(2) . . . . ?
N31 N32 C33 C34 -0.1(4) . . . . ?
N31 N32 C33 C331 -179.1(3) . . . . ?
N32 C33 C34 C35 0.2(4) . . . . ?
C331 C33 C34 C35 179.0(4) . . . . ?
N32 N31 C35 C34 0.1(4) . . . . ?
Pt1 N31 C35 C34 -179.7(2) . . . . ?
N32 N31 C35 C351 -179.2(3) . . . . ?
Pt1 N31 C35 C351 0.9(5) . . . . ?
C33 C34 C35 N31 -0.2(4) . . . . ?
C33 C34 C35 C351 179.1(3) . . . . ?

#==============================================================================
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N22 H22 F14 . . . 2.829(4) 0.860 1.980 169.5 no
N32 H32 F23 . . . 2.799(3) 0.860 1.950 169.2 no

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#==============================================================================
#     End of CIF
#==============================================================================


_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: MeCN'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1667b
_database_code_depnum_ccdc_archive 'CCDC 1588198'
_audit_update_record             
;
2018-04-05 deposited with the CCDC.
2018-04-18 downloaded from the CCDC.
;

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

_chemical_formula_sum            'C48 H70 Ag2 F18 N15 P3 Pt2'
_chemical_formula_moiety         'C48 H70 Ag2 F18 N15 P3 Pt2'
_chemical_formula_weight         1897.99
_chemical_melting_point          ?
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
_space_group_IT_number           33
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,1/2+Z
3 1/2-X,1/2+Y,1/2+Z
4 1/2+X,1/2-Y,+Z
#------------------------------------------------------------------------------
_cell_length_a                   13.402(2)
_cell_length_b                   29.139(5)
_cell_length_c                   16.427(3)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     6415.1(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    19041
_cell_measurement_theta_min      1.67
_cell_measurement_theta_max      29.13
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.070
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.030
_exptl_crystal_density_diffrn    1.965
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3680.00
_exptl_absorpt_coefficient_mu    5.104
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.685
_exptl_absorpt_correction_T_max  0.858

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

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 29.257
_diffrn_reflns_number            57539
_diffrn_reflns_av_R_equivalents  0.0739
_diffrn_reflns_theta_max         29.158
_diffrn_reflns_theta_min         1.672
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             17196
_reflns_number_gt                14511
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.930
_reflns_Friedel_fraction_max     0.990
_reflns_Friedel_fraction_full    0.997

#==============================================================================
# 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).
;

# start Validation Reply Form
_vrf_PLAT201_1667b               
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ...... 2 Report  
RESPONSE: One isopropyl group in main residue was disordered at two 
    conformations, whose occupancies were 71% and 29%, respectively. 
    The disordered models were refined isotropically.
;
_vrf_PLAT342_1667b               
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02045 Ang.
RESPONSE: The low bond precision on C-C bonds derived from the low scattering 
diffraction of the tiny crystal.
;

# end Validation Reply Form

_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0573
_refine_ls_wR_factor_ref         0.1129
_refine_ls_wR_factor_gt          0.1040
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         17196
_refine_ls_number_parameters     792
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0301P)²+5.0698P] 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         1.56
_refine_diff_density_min         -1.70
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  8286 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.002(8)

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
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.44035(4) 0.59480(2) 0.54974(3) 0.01498(11) Uani 1 1 d . . . . .
Pt2 Pt 0.06053(3) 0.58689(2) 0.45057(3) 0.01478(11) Uani 1 1 d . . . . .
Ag1 Ag 0.22784(7) 0.55667(3) 0.60883(6) 0.01703(19) Uani 1 1 d . . . . .
Ag2 Ag 0.26080(7) 0.52974(3) 0.42950(6) 0.0183(2) Uani 1 1 d . . . . .
N11 N 0.4251(8) 0.6628(4) 0.5228(6) 0.017(2) Uani 1 1 d . . . . .
C12 C 0.4063(10) 0.6904(4) 0.5864(8) 0.017(3) Uani 1 1 d . . . . .
C13 C 0.3928(10) 0.7377(5) 0.5779(9) 0.025(3) Uani 1 1 d . . . . .
H13 H 0.380761 0.756863 0.623749 0.030 Uiso 1 1 calc R U . . .
C14 C 0.3976(11) 0.7555(5) 0.5001(10) 0.030(3) Uani 1 1 d . . . . .
H14 H 0.390387 0.787608 0.492072 0.036 Uiso 1 1 calc R U . . .
C15 C 0.4127(10) 0.7272(5) 0.4340(9) 0.027(3) Uani 1 1 d . . . . .
H15 H 0.413844 0.739455 0.380425 0.032 Uiso 1 1 calc R U . . .
C16 C 0.4263(9) 0.6807(4) 0.4469(9) 0.022(3) Uani 1 1 d . . . . .
H16 H 0.436588 0.661041 0.401639 0.026 Uiso 1 1 calc R U . . .
N121 N 0.4012(8) 0.6666(4) 0.6605(6) 0.014(2) Uani 1 1 d . . . . .
C122 C 0.4218(10) 0.6210(5) 0.6613(8) 0.018(3) Uani 1 1 d . . . . .
N123 N 0.4217(8) 0.6071(4) 0.7380(7) 0.018(2) Uani 1 1 d . . . . .
C124 C 0.3980(10) 0.6458(5) 0.7887(8) 0.021(3) Uani 1 1 d . . . . .
H124 H 0.390490 0.645611 0.846211 0.026 Uiso 1 1 calc R U . . .
C125 C 0.3886(10) 0.6818(5) 0.7398(8) 0.021(3) Uani 1 1 d . . . . .
H125 H 0.375488 0.712524 0.756225 0.026 Uiso 1 1 calc R U . . .
C126 C 0.4460(10) 0.5616(5) 0.7702(8) 0.021(3) Uani 1 1 d . . . . .
H126 H 0.466174 0.541478 0.723686 0.025 Uiso 1 1 calc R U . . .
C127 C 0.3568(11) 0.5396(5) 0.8129(9) 0.031(3) Uani 1 1 d . . . . .
H12A H 0.375859 0.509262 0.833520 0.037 Uiso 1 1 calc R U . . .
H12B H 0.335668 0.559040 0.858407 0.037 Uiso 1 1 calc R U . . .
H12C H 0.301595 0.536301 0.774196 0.037 Uiso 1 1 calc R U . . .
C128 C 0.5344(13) 0.5659(6) 0.8285(11) 0.045(5) Uani 1 1 d . . . . .
H12D H 0.551132 0.535506 0.850291 0.054 Uiso 1 1 calc R U . . .
H12E H 0.592056 0.578310 0.799192 0.054 Uiso 1 1 calc R U . . .
H12F H 0.516699 0.586460 0.873368 0.054 Uiso 1 1 calc R U . . .
N21 N 0.4381(8) 0.5278(4) 0.5769(6) 0.016(2) Uani 1 1 d . . . . .
N22 N 0.3478(8) 0.5102(3) 0.6023(7) 0.016(2) Uani 1 1 d . . . . .
C23 C 0.3577(10) 0.4647(5) 0.6059(8) 0.022(3) Uani 1 1 d . . . . .
C231 C 0.2753(11) 0.4346(5) 0.6372(9) 0.027(3) Uani 1 1 d . . . . .
H23A H 0.296437 0.402443 0.635048 0.032 Uiso 1 1 calc R U . . .
H23B H 0.259935 0.443004 0.693594 0.032 Uiso 1 1 calc R U . . .
H23C H 0.215695 0.438765 0.603418 0.032 Uiso 1 1 calc R U . . .
C24 C 0.4542(9) 0.4526(4) 0.5821(7) 0.017(3) Uani 1 1 d . . . . .
H24 H 0.481154 0.422489 0.578750 0.021 Uiso 1 1 calc R U . . .
C25 C 0.5029(9) 0.4936(4) 0.5642(7) 0.015(3) Uani 1 1 d . . . . .
C251 C 0.6065(9) 0.5014(5) 0.5362(9) 0.022(3) Uani 1 1 d . . . . .
H25A H 0.640903 0.471854 0.530851 0.026 Uiso 1 1 calc R U . . .
H25B H 0.605495 0.516931 0.483280 0.026 Uiso 1 1 calc R U . . .
H25C H 0.641829 0.520561 0.575860 0.026 Uiso 1 1 calc R U . . .
N31 N 0.4654(8) 0.5773(4) 0.4310(6) 0.016(2) Uani 1 1 d . . . . .
N32 N 0.3910(8) 0.5614(4) 0.3828(6) 0.017(2) Uani 1 1 d . . . . .
C33 C 0.4209(11) 0.5625(5) 0.3058(8) 0.022(3) Uani 1 1 d . . . . .
C34 C 0.5161(10) 0.5794(5) 0.3034(8) 0.024(3) Uani 1 1 d . . . . .
H34 H 0.556226 0.583868 0.256370 0.028 Uiso 1 1 calc R U . . .
C35 C 0.5420(10) 0.5887(5) 0.3828(8) 0.019(3) Uani 1 1 d . . . . .
C331 C 0.3557(11) 0.5466(7) 0.2370(9) 0.039(4) Uani 1 1 d . . . . .
H33A H 0.391532 0.550202 0.185351 0.046 Uiso 1 1 calc R U . . .
H33B H 0.338523 0.514204 0.244876 0.046 Uiso 1 1 calc R U . . .
H33C H 0.294533 0.565002 0.235736 0.046 Uiso 1 1 calc R U . . .
C351 C 0.6371(10) 0.6090(5) 0.4152(9) 0.025(3) Uani 1 1 d . . . . .
H35A H 0.683182 0.614807 0.370047 0.030 Uiso 1 1 calc R U . . .
H35B H 0.622308 0.638005 0.443061 0.030 Uiso 1 1 calc R U . . .
H35C H 0.667892 0.587602 0.453754 0.030 Uiso 1 1 calc R U . . .
N41 N 0.1011(7) 0.6542(4) 0.4337(7) 0.017(2) Uani 1 1 d . . . . .
C42 C 0.1257(11) 0.6650(5) 0.3577(9) 0.023(3) Uani 1 1 d . . . . .
C43 C 0.1616(10) 0.7067(5) 0.3345(8) 0.026(3) Uani 1 1 d . . . . .
H43 H 0.180516 0.712296 0.279698 0.031 Uiso 1 1 calc R U . . .
C44 C 0.1700(11) 0.7409(5) 0.3934(10) 0.028(3) Uani 1 1 d . . . . .
H44 H 0.192312 0.770799 0.379265 0.033 Uiso 1 1 calc R U . . .
C45 C 0.1445(11) 0.7301(5) 0.4749(8) 0.024(3) Uani 1 1 d . . . . .
H45 H 0.149554 0.752495 0.516722 0.029 Uiso 1 1 calc R U . . .
C46 C 0.1119(10) 0.6859(5) 0.4920(8) 0.019(3) Uani 1 1 d . . . . .
H46 H 0.096749 0.677935 0.546658 0.023 Uiso 1 1 calc R U . . .
N421 N 0.1158(9) 0.6279(4) 0.3035(7) 0.021(2) Uani 1 1 d . . . . .
C422 C 0.0875(10) 0.5864(5) 0.3324(7) 0.017(3) Uani 1 1 d . . . . .
N423 N 0.0773(8) 0.5595(4) 0.2668(7) 0.021(2) Uani 1 1 d . . . . .
C424 C 0.1018(10) 0.5837(5) 0.1973(8) 0.023(3) Uani 1 1 d . . . . .
H424 H 0.101717 0.571848 0.143452 0.027 Uiso 1 1 calc R U . . .
C425 C 0.1255(12) 0.6264(5) 0.2183(8) 0.026(3) Uani 1 1 d . . . . .
H425 H 0.144779 0.650744 0.183157 0.031 Uiso 1 1 calc R U . . .
C426 C 0.0416(10) 0.5110(5) 0.2671(9) 0.023(3) Uani 1 1 d . . . . .
H426 H 0.028619 0.501574 0.324690 0.027 Uiso 1 1 calc R U . A 1
C427 C -0.0538(19) 0.5086(8) 0.2209(19) 0.031(7) Uiso 0.71(7) 1 d . . P B 1
H42A H -0.078106 0.476857 0.220577 0.037 Uiso 0.71(7) 1 calc R U P B 1
H42B H -0.103419 0.528452 0.246814 0.037 Uiso 0.71(7) 1 calc R U P B 1
H42C H -0.042515 0.518799 0.164785 0.037 Uiso 0.71(7) 1 calc R U P B 1
C428 C 0.123(2) 0.4796(9) 0.2316(19) 0.037(7) Uiso 0.71(7) 1 d . . P B 1
H42D H 0.098883 0.447785 0.231922 0.044 Uiso 0.71(7) 1 calc R U P B 1
H42E H 0.137234 0.488967 0.175567 0.044 Uiso 0.71(7) 1 calc R U P B 1
H42F H 0.183225 0.482014 0.264624 0.044 Uiso 0.71(7) 1 calc R U P B 1
C429 C -0.079(4) 0.5086(17) 0.257(4) 0.023(15) Uiso 0.29(7) 1 d . . P B 2
H42G H -0.110141 0.528451 0.297632 0.028 Uiso 0.29(7) 1 calc R U P B 2
H42H H -0.097080 0.519065 0.202236 0.028 Uiso 0.29(7) 1 calc R U P B 2
H42I H -0.101134 0.476938 0.264656 0.028 Uiso 0.29(7) 1 calc R U P B 2
C430 C 0.093(6) 0.482(2) 0.208(5) 0.039(18) Uiso 0.29(7) 1 d . . P B 2
H43A H 0.066961 0.450564 0.210538 0.046 Uiso 0.29(7) 1 calc R U P B 2
H43B H 0.082736 0.494142 0.152660 0.046 Uiso 0.29(7) 1 calc R U P B 2
H43C H 0.164988 0.481502 0.219629 0.046 Uiso 0.29(7) 1 calc R U P B 2
N51 N 0.0424(8) 0.5186(4) 0.4642(7) 0.017(2) Uani 1 1 d . . . . .
N52 N 0.1285(7) 0.4936(3) 0.4559(7) 0.015(2) Uani 1 1 d . . . . .
C53 C 0.1021(10) 0.4484(5) 0.4576(9) 0.024(3) Uani 1 1 d . . . . .
C531 C 0.1767(11) 0.4115(5) 0.4460(11) 0.032(3) Uani 1 1 d . . . . .
H53A H 0.143577 0.381562 0.449281 0.038 Uiso 1 1 calc R U . . .
H53B H 0.208153 0.414833 0.392430 0.038 Uiso 1 1 calc R U . . .
H53C H 0.227818 0.413597 0.488497 0.038 Uiso 1 1 calc R U . . .
C54 C -0.0006(11) 0.4460(5) 0.4666(8) 0.024(3) Uani 1 1 d . . . . .
H54 H -0.039017 0.418612 0.469180 0.029 Uiso 1 1 calc R U . . .
C55 C -0.0374(11) 0.4902(5) 0.4711(8) 0.022(3) Uani 1 1 d . . . . .
C551 C -0.1414(10) 0.5081(5) 0.4755(9) 0.031(4) Uani 1 1 d . . . . .
H55A H -0.188032 0.482299 0.480284 0.037 Uiso 1 1 calc R U . . .
H55B H -0.148194 0.528115 0.523060 0.037 Uiso 1 1 calc R U . . .
H55C H -0.156471 0.525525 0.425981 0.037 Uiso 1 1 calc R U . . .
N61 N 0.0279(8) 0.5989(4) 0.5708(7) 0.019(3) Uani 1 1 d . . . . .
N62 N 0.1036(8) 0.5991(4) 0.6260(7) 0.019(2) Uani 1 1 d . . . . .
C63 C 0.0710(10) 0.6207(5) 0.6933(8) 0.019(3) Uani 1 1 d . . . . .
C631 C 0.1347(11) 0.6269(5) 0.7672(9) 0.026(3) Uani 1 1 d . . . . .
H63A H 0.096825 0.643452 0.808976 0.031 Uiso 1 1 calc R U . . .
H63B H 0.154610 0.596837 0.788214 0.031 Uiso 1 1 calc R U . . .
H63C H 0.194319 0.644623 0.752766 0.031 Uiso 1 1 calc R U . . .
C64 C -0.0262(10) 0.6364(5) 0.6799(8) 0.023(3) Uani 1 1 d . . . . .
H64 H -0.066574 0.653778 0.716054 0.028 Uiso 1 1 calc R U . . .
C65 C -0.0514(9) 0.6209(4) 0.6018(8) 0.016(3) Uani 1 1 d . . . . .
C651 C -0.1483(9) 0.6255(4) 0.5561(9) 0.022(3) Uani 1 1 d . . . . .
H65A H -0.196165 0.642670 0.589391 0.026 Uiso 1 1 calc R U . . .
H65B H -0.136614 0.641928 0.504960 0.026 Uiso 1 1 calc R U . . .
H65C H -0.175101 0.594931 0.544394 0.026 Uiso 1 1 calc R U . . .
P1 P 0.7377(3) 0.35325(14) 0.5139(2) 0.0240(8) Uani 1 1 d . . . . .
F11 F 0.7381(8) 0.3990(4) 0.5651(7) 0.058(3) Uani 1 1 d . . . . .
F12 F 0.7651(7) 0.3817(4) 0.4354(6) 0.051(3) Uani 1 1 d . . . . .
F13 F 0.6227(6) 0.3585(4) 0.4928(6) 0.047(3) Uani 1 1 d . . . . .
F14 F 0.7435(9) 0.3077(4) 0.4620(8) 0.071(4) Uani 1 1 d . . . . .
F15 F 0.7137(8) 0.3235(4) 0.5934(7) 0.064(3) Uani 1 1 d . . . . .
F16 F 0.8551(6) 0.3467(3) 0.5345(6) 0.034(2) Uani 1 1 d . . . . .
P2 P 0.1571(3) 0.32181(13) 0.7435(2) 0.0237(8) Uani 1 1 d . . . . .
F21 F 0.1631(7) 0.3256(3) 0.6470(5) 0.041(2) Uani 1 1 d . . . . .
F22 F 0.0437(7) 0.3060(3) 0.7365(7) 0.048(3) Uani 1 1 d . . . . .
F23 F 0.1250(7) 0.3741(3) 0.7482(6) 0.037(2) Uani 1 1 d . . . . .
F24 F 0.1526(8) 0.3186(3) 0.8408(6) 0.046(3) Uani 1 1 d . . . . .
F25 F 0.1899(7) 0.2696(3) 0.7383(6) 0.040(2) Uani 1 1 d . . . . .
F26 F 0.2713(6) 0.3367(3) 0.7500(6) 0.039(2) Uani 1 1 d . . . . .
P3 P 0.3354(3) 0.27520(14) 0.2222(2) 0.0259(8) Uani 1 1 d . . . . .
F31 F 0.3686(6) 0.3197(3) 0.2729(6) 0.036(2) Uani 1 1 d . . . . .
F32 F 0.3067(7) 0.2495(3) 0.3049(5) 0.044(3) Uani 1 1 d . . . . .
F33 F 0.2237(7) 0.2951(3) 0.2171(6) 0.045(3) Uani 1 1 d . . . . .
F34 F 0.4451(6) 0.2554(3) 0.2263(7) 0.045(3) Uani 1 1 d . . . . .
F35 F 0.3022(6) 0.2306(3) 0.1711(5) 0.032(2) Uani 1 1 d . . . . .
F36 F 0.3631(8) 0.3008(3) 0.1395(6) 0.044(2) Uani 1 1 d . . . . .
N1 N 0.4333(10) 0.2495(5) 0.5140(9) 0.038(3) Uani 1 1 d . . . . .
H1 H 0.381290 0.227929 0.493181 0.046 Uiso 1 1 calc R U . . .
C1 C 0.4123(14) 0.2553(6) 0.6022(10) 0.044(5) Uani 1 1 d . . . . .
H1A H 0.421673 0.225403 0.629671 0.052 Uiso 1 1 calc R U . . .
H1B H 0.341421 0.264214 0.608903 0.052 Uiso 1 1 calc R U . . .
C2 C 0.4762(14) 0.2904(6) 0.6441(10) 0.043(4) Uani 1 1 d . . . . .
H2A H 0.457751 0.292163 0.701722 0.051 Uiso 1 1 calc R U . . .
H2B H 0.546510 0.281585 0.639313 0.051 Uiso 1 1 calc R U . . .
H2C H 0.466118 0.320464 0.618509 0.051 Uiso 1 1 calc R U . . .
C3 C 0.5315(12) 0.2270(6) 0.4972(12) 0.042(5) Uani 1 1 d . . . . .
H3A H 0.585194 0.250191 0.501816 0.051 Uiso 1 1 calc R U . . .
H3B H 0.543696 0.203131 0.538855 0.051 Uiso 1 1 calc R U . . .
C4 C 0.5358(13) 0.2059(7) 0.4159(12) 0.048(5) Uani 1 1 d . . . . .
H4A H 0.601342 0.191655 0.407906 0.058 Uiso 1 1 calc R U . . .
H4B H 0.483714 0.182407 0.411298 0.058 Uiso 1 1 calc R U . . .
H4C H 0.525221 0.229478 0.374250 0.058 Uiso 1 1 calc R U . . .
C5 C 0.4217(12) 0.2926(6) 0.4654(10) 0.036(4) Uani 1 1 d . . . . .
H5A H 0.437402 0.285895 0.407684 0.044 Uiso 1 1 calc R U . . .
H5B H 0.470705 0.315535 0.484961 0.044 Uiso 1 1 calc R U . . .
C6 C 0.3191(14) 0.3130(7) 0.4702(13) 0.067(7) Uani 1 1 d . . . . .
H6A H 0.316470 0.340991 0.437184 0.080 Uiso 1 1 calc R U . . .
H6B H 0.270260 0.290836 0.449615 0.080 Uiso 1 1 calc R U . . .
H6C H 0.303592 0.320502 0.526961 0.080 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       DTREK
_computing_cell_refinement       DTREK
_computing_data_reduction        DTREK
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2017)'
_computing_molecular_graphics    'CrystalStructure 4.2'

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

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N21 2.003(11) . ?
Pt1 C122 2.002(12) . ?
Pt1 N11 2.042(11) . ?
Pt1 N31 2.045(10) . ?
Pt1 Ag1 3.2076(12) . ?
Pt2 C422 1.975(12) . ?
Pt2 N51 2.018(11) . ?
Pt2 N61 2.054(12) . ?
Pt2 N41 2.055(10) . ?
Pt2 Ag2 3.1776(11) . ?
Ag1 N62 2.094(11) . ?
Ag1 N22 2.106(10) . ?
Ag1 Ag2 3.0803(14) . ?
Ag2 N52 2.107(10) . ?
Ag2 N32 2.117(11) . ?
N11 C12 1.343(16) . ?
N11 C16 1.351(16) . ?
C12 C13 1.397(18) . ?
C12 N121 1.403(15) . ?
C13 C14 1.38(2) . ?
C14 C15 1.38(2) . ?
C15 C16 1.383(18) . ?
N121 C122 1.356(17) . ?
N121 C125 1.387(15) . ?
C122 N123 1.323(16) . ?
N123 C124 1.437(16) . ?
N123 C126 1.464(17) . ?
C124 C125 1.328(18) . ?
C126 C128 1.53(2) . ?
C126 C127 1.528(19) . ?
N21 C25 1.339(15) . ?
N21 N22 1.379(14) . ?
N22 C23 1.333(16) . ?
C23 C24 1.397(18) . ?
C23 C231 1.500(18) . ?
C24 C25 1.393(17) . ?
C25 C251 1.481(17) . ?
N31 C35 1.338(16) . ?
N31 N32 1.355(14) . ?
N32 C33 1.326(16) . ?
C33 C34 1.37(2) . ?
C33 C331 1.502(19) . ?
C34 C35 1.377(18) . ?
C35 C351 1.504(19) . ?
N41 C42 1.329(17) . ?
N41 C46 1.338(16) . ?
C42 C43 1.361(18) . ?
C42 N421 1.406(18) . ?
C43 C44 1.39(2) . ?
C44 C45 1.416(19) . ?
C45 C46 1.388(18) . ?
N421 C422 1.353(16) . ?
N421 C425 1.407(17) . ?
C422 N423 1.339(16) . ?
N423 C424 1.382(16) . ?
N423 C426 1.491(17) . ?
C424 C425 1.33(2) . ?
C426 C430 1.47(6) . ?
C426 C427 1.49(2) . ?
C426 C428 1.53(3) . ?
C426 C429 1.62(5) . ?
N51 C55 1.355(17) . ?
N51 N52 1.372(13) . ?
N52 C53 1.362(16) . ?
C53 C54 1.39(2) . ?
C53 C531 1.482(18) . ?
C54 C55 1.383(19) . ?
C55 C551 1.490(19) . ?
N61 C65 1.341(16) . ?
N61 N62 1.360(15) . ?
N62 C63 1.345(16) . ?
C63 C64 1.398(19) . ?
C63 C631 1.495(19) . ?
C64 C65 1.402(17) . ?
C65 C651 1.505(17) . ?
P1 F11 1.577(10) . ?
P1 F12 1.578(10) . ?
P1 F14 1.580(11) . ?
P1 F13 1.588(10) . ?
P1 F15 1.600(10) . ?
P1 F16 1.621(9) . ?
P2 F25 1.585(9) . ?
P2 F23 1.584(9) . ?
P2 F22 1.592(9) . ?
P2 F21 1.591(10) . ?
P2 F26 1.594(9) . ?
P2 F24 1.602(10) . ?
P3 F34 1.581(9) . ?
P3 F36 1.595(10) . ?
P3 F32 1.598(10) . ?
P3 F31 1.604(9) . ?
P3 F35 1.610(9) . ?
P3 F33 1.608(10) . ?
N1 C1 1.49(2) . ?
N1 C5 1.50(2) . ?
N1 C3 1.50(2) . ?
C1 C2 1.50(2) . ?
C3 C4 1.47(2) . ?
C5 C6 1.50(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N21 Pt1 C122 99.6(5) . . ?
N21 Pt1 N11 173.4(4) . . ?
C122 Pt1 N11 79.4(5) . . ?
N21 Pt1 N31 88.4(4) . . ?
C122 Pt1 N31 171.8(5) . . ?
N11 Pt1 N31 93.0(4) . . ?
N21 Pt1 Ag1 65.3(3) . . ?
C122 Pt1 Ag1 75.2(4) . . ?
N11 Pt1 Ag1 108.2(3) . . ?
N31 Pt1 Ag1 110.4(3) . . ?
C422 Pt2 N51 97.1(5) . . ?
C422 Pt2 N61 170.4(5) . . ?
N51 Pt2 N61 92.1(4) . . ?
C422 Pt2 N41 80.0(5) . . ?
N51 Pt2 N41 171.4(4) . . ?
N61 Pt2 N41 91.3(4) . . ?
C422 Pt2 Ag2 74.6(4) . . ?
N51 Pt2 Ag2 66.2(3) . . ?
N61 Pt2 Ag2 112.0(3) . . ?
N41 Pt2 Ag2 105.2(3) . . ?
N62 Ag1 N22 174.0(4) . . ?
N62 Ag1 Ag2 113.2(3) . . ?
N22 Ag1 Ag2 71.2(3) . . ?
N62 Ag1 Pt1 122.8(3) . . ?
N22 Ag1 Pt1 61.9(3) . . ?
Ag2 Ag1 Pt1 70.82(3) . . ?
N52 Ag2 N32 170.2(4) . . ?
N52 Ag2 Ag1 79.1(3) . . ?
N32 Ag2 Ag1 110.7(3) . . ?
N52 Ag2 Pt2 61.9(2) . . ?
N32 Ag2 Pt2 120.5(3) . . ?
Ag1 Ag2 Pt2 68.97(3) . . ?
C12 N11 C16 119.3(11) . . ?
C12 N11 Pt1 115.6(8) . . ?
C16 N11 Pt1 125.0(9) . . ?
N11 C12 C13 122.5(12) . . ?
N11 C12 N121 112.8(11) . . ?
C13 C12 N121 124.7(12) . . ?
C14 C13 C12 117.1(13) . . ?
C15 C14 C13 120.8(13) . . ?
C14 C15 C16 118.9(14) . . ?
N11 C16 C15 121.2(14) . . ?
C122 N121 C125 109.2(11) . . ?
C122 N121 C12 118.9(11) . . ?
C125 N121 C12 131.5(11) . . ?
N123 C122 N121 108.0(11) . . ?
N123 C122 Pt1 139.0(11) . . ?
N121 C122 Pt1 113.0(9) . . ?
C122 N123 C124 108.2(11) . . ?
C122 N123 C126 128.4(12) . . ?
C124 N123 C126 123.4(11) . . ?
C125 C124 N123 106.9(12) . . ?
C124 C125 N121 107.6(12) . . ?
N123 C126 C128 109.0(12) . . ?
N123 C126 C127 111.9(11) . . ?
C128 C126 C127 110.6(13) . . ?
C25 N21 N22 109.8(10) . . ?
C25 N21 Pt1 132.9(9) . . ?
N22 N21 Pt1 116.4(7) . . ?
C23 N22 N21 107.3(10) . . ?
C23 N22 Ag1 135.5(9) . . ?
N21 N22 Ag1 116.4(7) . . ?
N22 C23 C24 109.3(12) . . ?
N22 C23 C231 121.5(12) . . ?
C24 C23 C231 129.1(12) . . ?
C25 C24 C23 106.1(11) . . ?
N21 C25 C24 107.5(11) . . ?
N21 C25 C251 122.9(11) . . ?
C24 C25 C251 129.6(12) . . ?
C35 N31 N32 107.7(10) . . ?
C35 N31 Pt1 128.9(9) . . ?
N32 N31 Pt1 121.4(8) . . ?
C33 N32 N31 109.0(11) . . ?
C33 N32 Ag2 127.2(10) . . ?
N31 N32 Ag2 122.9(8) . . ?
N32 C33 C34 108.6(12) . . ?
N32 C33 C331 122.3(13) . . ?
C34 C33 C331 129.1(13) . . ?
C33 C34 C35 106.2(12) . . ?
N31 C35 C34 108.5(12) . . ?
N31 C35 C351 122.6(12) . . ?
C34 C35 C351 128.8(12) . . ?
C42 N41 C46 118.9(12) . . ?
C42 N41 Pt2 114.7(9) . . ?
C46 N41 Pt2 126.2(9) . . ?
N41 C42 C43 124.1(14) . . ?
N41 C42 N421 113.0(11) . . ?
C43 C42 N421 122.9(13) . . ?
C42 C43 C44 118.2(13) . . ?
C43 C44 C45 118.5(12) . . ?
C46 C45 C44 118.2(13) . . ?
N41 C46 C45 122.0(13) . . ?
C422 N421 C42 119.4(11) . . ?
C422 N421 C425 110.3(12) . . ?
C42 N421 C425 130.2(12) . . ?
N423 C422 N421 105.7(11) . . ?
N423 C422 Pt2 140.9(10) . . ?
N421 C422 Pt2 112.9(9) . . ?
C422 N423 C424 109.9(11) . . ?
C422 N423 C426 125.8(11) . . ?
C424 N423 C426 124.3(12) . . ?
C425 C424 N423 108.7(12) . . ?
C424 C425 N421 105.4(12) . . ?
C430 C426 N423 113(3) . . ?
N423 C426 C427 108.5(14) . . ?
N423 C426 C428 109.7(14) . . ?
C427 C426 C428 112.6(16) . . ?
C430 C426 C429 112(3) . . ?
N423 C426 C429 111(2) . . ?
C55 N51 N52 110.4(10) . . ?
C55 N51 Pt2 134.8(9) . . ?
N52 N51 Pt2 114.3(8) . . ?
C53 N52 N51 107.0(10) . . ?
C53 N52 Ag2 134.9(9) . . ?
N51 N52 Ag2 117.6(7) . . ?
N52 C53 C54 108.1(12) . . ?
N52 C53 C531 121.6(12) . . ?
C54 C53 C531 130.2(13) . . ?
C53 C54 C55 108.1(13) . . ?
N51 C55 C54 106.4(12) . . ?
N51 C55 C551 122.0(12) . . ?
C54 C55 C551 131.4(13) . . ?
C65 N61 N62 109.7(11) . . ?
C65 N61 Pt2 127.9(9) . . ?
N62 N61 Pt2 118.8(8) . . ?
C63 N62 N61 107.9(11) . . ?
C63 N62 Ag1 130.2(9) . . ?
N61 N62 Ag1 120.1(8) . . ?
N62 C63 C64 109.0(12) . . ?
N62 C63 C631 122.6(12) . . ?
C64 C63 C631 128.3(12) . . ?
C63 C64 C65 105.3(12) . . ?
N61 C65 C64 108.0(11) . . ?
N61 C65 C651 122.5(12) . . ?
C64 C65 C651 129.4(12) . . ?
F11 P1 F12 89.5(6) . . ?
F11 P1 F14 177.0(7) . . ?
F12 P1 F14 89.4(7) . . ?
F11 P1 F13 92.2(6) . . ?
F12 P1 F13 89.7(5) . . ?
F14 P1 F13 90.6(6) . . ?
F11 P1 F15 91.4(7) . . ?
F12 P1 F15 178.0(7) . . ?
F14 P1 F15 89.7(7) . . ?
F13 P1 F15 92.1(6) . . ?
F11 P1 F16 89.2(5) . . ?
F12 P1 F16 90.5(5) . . ?
F14 P1 F16 88.0(6) . . ?
F13 P1 F16 178.6(6) . . ?
F15 P1 F16 87.7(5) . . ?
F25 P2 F23 179.6(6) . . ?
F25 P2 F22 89.1(5) . . ?
F23 P2 F22 91.2(5) . . ?
F25 P2 F21 89.9(5) . . ?
F23 P2 F21 89.8(5) . . ?
F22 P2 F21 89.8(6) . . ?
F25 P2 F26 89.9(5) . . ?
F23 P2 F26 89.8(5) . . ?
F22 P2 F26 178.9(6) . . ?
F21 P2 F26 90.0(5) . . ?
F25 P2 F24 90.4(5) . . ?
F23 P2 F24 89.9(5) . . ?
F22 P2 F24 91.1(6) . . ?
F21 P2 F24 179.0(6) . . ?
F26 P2 F24 89.1(6) . . ?
F34 P3 F36 89.5(6) . . ?
F34 P3 F32 91.0(6) . . ?
F36 P3 F32 179.5(6) . . ?
F34 P3 F31 90.8(5) . . ?
F36 P3 F31 89.9(5) . . ?
F32 P3 F31 90.3(5) . . ?
F34 P3 F35 89.1(5) . . ?
F36 P3 F35 89.9(5) . . ?
F32 P3 F35 90.0(5) . . ?
F31 P3 F35 179.8(6) . . ?
F34 P3 F33 179.4(6) . . ?
F36 P3 F33 90.2(6) . . ?
F32 P3 F33 89.4(6) . . ?
F31 P3 F33 89.7(5) . . ?
F35 P3 F33 90.4(5) . . ?
C1 N1 C5 114.0(15) . . ?
C1 N1 C3 113.4(14) . . ?
C5 N1 C3 111.1(13) . . ?
N1 C1 C2 114.6(15) . . ?
C4 C3 N1 112.7(14) . . ?
N1 C5 C6 113.5(14) . . ?

#==============================================================================
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1 F16 . . 4_455 3.011(17) 1.000 2.304 126.8 no

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#==============================================================================
#     End of CIF
#==============================================================================



_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: MeCN'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1833a
_database_code_depnum_ccdc_archive 'CCDC 1588197'
_audit_update_record             
;
2018-04-05 deposited with the CCDC.
2018-04-18 downloaded from the CCDC.
;

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

_chemical_formula_sum            'C51 H72 Ag2 F12 N14 O3 P2 Pt2'
_chemical_formula_moiety         'C51 H72 Ag2 F12 N14 O3 P2 Pt2'
_chemical_formula_weight         1825.07
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
_space_group_IT_number           14
loop_
_space_group_symop_id
_space_group_symop_operation_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                   13.5442(9)
_cell_length_b                   16.5240(11)
_cell_length_c                   29.6856(18)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.7056(11)
_cell_angle_gamma                90.0000
_cell_volume                     6643.3(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    24364
_cell_measurement_theta_min      1.84
_cell_measurement_theta_max      27.49
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3552.00
_exptl_absorpt_coefficient_mu    4.892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.485
_exptl_absorpt_correction_T_max  0.613

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

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 29.257
_diffrn_reflns_number            53334
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_min         1.504
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       38
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             15082
_reflns_number_gt                13753
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# 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).

    One hexafluorophosphate anion was disordered on two orientations, whose
    occupancies were 59% and 41%, respectively. One acetone molecule was also 
    disordered at two orientations, whose occupancies were 57% and 43%, 
    respectively. The disordered models were refined isotropically. 

;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0283
_refine_ls_R_factor_gt           0.0257
_refine_ls_wR_factor_ref         0.0773
_refine_ls_wR_factor_gt          0.0752
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         15082
_refine_ls_number_parameters     767
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0439P)²+3.2471P] 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          0.003
_refine_diff_density_max         1.39
_refine_diff_density_min         -1.07
_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
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.93179(2) -0.03479(2) 0.65678(2) 0.01556(4) Uani 1 1 d . . . . .
Pt2 Pt 0.56018(2) 0.07662(2) 0.66005(2) 0.01423(4) Uani 1 1 d . . . . .
Ag1 Ag 0.72689(2) -0.08024(2) 0.69931(2) 0.01697(6) Uani 1 1 d . . . . .
Ag2 Ag 0.76605(2) 0.10179(2) 0.71140(2) 0.01742(6) Uani 1 1 d . . . . .
N11 N 0.9085(2) -0.02316(18) 0.58934(10) 0.0188(6) Uani 1 1 d . . . . .
C12 C 0.8846(3) -0.0916(2) 0.56724(12) 0.0205(7) Uani 1 1 d . . . . .
C13 C 0.8601(3) -0.0932(2) 0.52196(13) 0.0259(8) Uani 1 1 d . . . . .
H13 H 0.844690 -0.142801 0.507251 0.031 Uiso 1 1 calc R U . . .
C14 C 0.8588(3) -0.0209(3) 0.49862(14) 0.0286(9) Uani 1 1 d . . . . .
H14 H 0.841456 -0.020078 0.467510 0.034 Uiso 1 1 calc R U . . .
C15 C 0.8830(3) 0.0512(3) 0.52096(14) 0.0293(9) Uani 1 1 d . . . . .
H15 H 0.882448 0.101435 0.505356 0.035 Uiso 1 1 calc R U . . .
C16 C 0.9076(3) 0.0477(2) 0.56611(13) 0.0247(8) Uani 1 1 d . . . . .
H16 H 0.924540 0.096304 0.581463 0.030 Uiso 1 1 calc R U . . .
N121 N 0.8847(2) -0.15917(18) 0.59543(10) 0.0193(6) Uani 1 1 d . . . . .
C122 C 0.9069(3) -0.1490(2) 0.64026(12) 0.0182(7) Uani 1 1 d . . . . .
N123 N 0.9107(2) -0.22345(18) 0.65747(10) 0.0192(6) Uani 1 1 d . . . . .
C124 C 0.8911(3) -0.2808(2) 0.62321(13) 0.0237(8) Uani 1 1 d . . . . .
H124 H 0.889518 -0.337875 0.626848 0.028 Uiso 1 1 calc R U . . .
C125 C 0.8752(3) -0.2405(2) 0.58482(13) 0.0225(8) Uani 1 1 d . . . . .
H125 H 0.860449 -0.263033 0.556072 0.027 Uiso 1 1 calc R U . . .
C126 C 0.9367(3) -0.2468(2) 0.70456(12) 0.0225(8) Uani 1 1 d . . . . .
H126 H 0.957608 -0.196930 0.721242 0.027 Uiso 1 1 calc R U . . .
C127 C 0.8467(3) -0.2818(2) 0.72766(13) 0.0289(9) Uani 1 1 d . . . . .
H12A H 0.864399 -0.296998 0.758640 0.035 Uiso 1 1 calc R U . . .
H12B H 0.793971 -0.241249 0.728063 0.035 Uiso 1 1 calc R U . . .
H12C H 0.823862 -0.329799 0.711180 0.035 Uiso 1 1 calc R U . . .
C128 C 1.0231(3) -0.3059(3) 0.70452(14) 0.0330(10) Uani 1 1 d . . . . .
H12D H 1.039961 -0.321060 0.735584 0.040 Uiso 1 1 calc R U . . .
H12E H 1.004642 -0.354379 0.687400 0.040 Uiso 1 1 calc R U . . .
H12F H 1.080287 -0.280136 0.690547 0.040 Uiso 1 1 calc R U . . .
N21 N 0.9358(2) -0.04885(18) 0.72362(10) 0.0183(6) Uani 1 1 d . . . . .
N22 N 0.8488(2) -0.07128(18) 0.74341(10) 0.0187(6) Uani 1 1 d . . . . .
C23 C 0.8654(3) -0.0753(2) 0.78782(13) 0.0213(8) Uani 1 1 d . . . . .
C231 C 0.7857(3) -0.1030(3) 0.81897(14) 0.0305(9) Uani 1 1 d . . . . .
H23A H 0.810708 -0.102168 0.850085 0.037 Uiso 1 1 calc R U . . .
H23B H 0.728714 -0.066673 0.816209 0.037 Uiso 1 1 calc R U . . .
H23C H 0.765592 -0.158161 0.810958 0.037 Uiso 1 1 calc R U . . .
C24 C 0.9634(3) -0.0550(2) 0.79707(13) 0.0255(8) Uani 1 1 d . . . . .
H24 H 0.994915 -0.052662 0.825811 0.031 Uiso 1 1 calc R U . . .
C25 C 1.0056(3) -0.0387(2) 0.75556(12) 0.0202(7) Uani 1 1 d . . . . .
C251 C 1.1087(3) -0.0156(2) 0.74410(14) 0.0275(8) Uani 1 1 d . . . . .
H25A H 1.148399 -0.011179 0.771823 0.033 Uiso 1 1 calc R U . . .
H25B H 1.137240 -0.057122 0.724577 0.033 Uiso 1 1 calc R U . . .
H25C H 1.108323 0.036511 0.728386 0.033 Uiso 1 1 calc R U . . .
N31 N 0.9644(2) 0.08572(17) 0.66497(10) 0.0177(6) Uani 1 1 d . . . . .
N32 N 0.8909(2) 0.13853(17) 0.67714(10) 0.0179(6) Uani 1 1 d . . . . .
C33 C 0.9254(3) 0.2137(2) 0.67090(14) 0.0246(8) Uani 1 1 d . . . . .
C331 C 0.8619(3) 0.2858(3) 0.68070(18) 0.0384(11) Uani 1 1 d . . . . .
H33A H 0.898686 0.335494 0.674285 0.046 Uiso 1 1 calc R U . . .
H33B H 0.802198 0.283923 0.661724 0.046 Uiso 1 1 calc R U . . .
H33C H 0.843266 0.285231 0.712499 0.046 Uiso 1 1 calc R U . . .
C34 C 1.0211(3) 0.2102(2) 0.65494(13) 0.0248(8) Uani 1 1 d . . . . .
H34 H 1.062903 0.254542 0.648058 0.030 Uiso 1 1 calc R U . . .
C35 C 1.0429(3) 0.1286(2) 0.65113(13) 0.0207(7) Uani 1 1 d . . . . .
C351 C 1.1346(3) 0.0883(2) 0.63484(15) 0.0296(9) Uani 1 1 d . . . . .
H35A H 1.182876 0.129585 0.626349 0.036 Uiso 1 1 calc R U . . .
H35B H 1.162464 0.054375 0.658898 0.036 Uiso 1 1 calc R U . . .
H35C H 1.118542 0.054590 0.608604 0.036 Uiso 1 1 calc R U . . .
N41 N 0.5840(2) 0.08820(19) 0.59292(10) 0.0194(6) Uani 1 1 d . . . . .
C42 C 0.6009(3) 0.1643(2) 0.57843(12) 0.0218(8) Uani 1 1 d . . . . .
C43 C 0.6214(3) 0.1828(3) 0.53401(13) 0.0299(9) Uani 1 1 d . . . . .
H43 H 0.632723 0.237069 0.524794 0.036 Uiso 1 1 calc R U . . .
C44 C 0.6248(3) 0.1197(3) 0.50364(14) 0.0339(10) Uani 1 1 d . . . . .
H44 H 0.637584 0.130234 0.472794 0.041 Uiso 1 1 calc R U . . .
C45 C 0.6097(3) 0.0411(3) 0.51808(13) 0.0285(9) Uani 1 1 d . . . . .
H45 H 0.613313 -0.002618 0.497400 0.034 Uiso 1 1 calc R U . . .
C46 C 0.5893(3) 0.0269(2) 0.56265(12) 0.0219(8) Uani 1 1 d . . . . .
H46 H 0.578638 -0.027060 0.572467 0.026 Uiso 1 1 calc R U . . .
N421 N 0.5967(2) 0.22135(19) 0.61317(10) 0.0225(7) Uani 1 1 d . . . . .
C422 C 0.5789(3) 0.1945(2) 0.65619(12) 0.0192(7) Uani 1 1 d . . . . .
N423 N 0.5731(2) 0.26248(18) 0.68080(10) 0.0198(6) Uani 1 1 d . . . . .
C424 C 0.5875(3) 0.3306(2) 0.65401(13) 0.0263(8) Uani 1 1 d . . . . .
H424 H 0.587304 0.385269 0.663993 0.032 Uiso 1 1 calc R U . . .
C425 C 0.6019(3) 0.3054(2) 0.61161(13) 0.0279(9) Uani 1 1 d . . . . .
H425 H 0.613228 0.338155 0.585882 0.033 Uiso 1 1 calc R U . . .
C426 C 0.5495(3) 0.2671(2) 0.72965(12) 0.0242(8) Uani 1 1 d . . . . .
H426 H 0.538536 0.210838 0.740946 0.029 Uiso 1 1 calc R U . . .
C427 C 0.6362(4) 0.3035(3) 0.75580(15) 0.0423(11) Uani 1 1 d . . . . .
H42A H 0.620083 0.306360 0.787852 0.051 Uiso 1 1 calc R U . . .
H42B H 0.694802 0.269577 0.751871 0.051 Uiso 1 1 calc R U . . .
H42C H 0.649570 0.358128 0.744487 0.051 Uiso 1 1 calc R U . . .
C428 C 0.4543(4) 0.3142(3) 0.73501(17) 0.0472(13) Uani 1 1 d . . . . .
H42D H 0.438014 0.317655 0.767022 0.057 Uiso 1 1 calc R U . . .
H42E H 0.462559 0.368863 0.722794 0.057 Uiso 1 1 calc R U . . .
H42F H 0.400796 0.286577 0.718660 0.057 Uiso 1 1 calc R U . . .
N51 N 0.5531(2) 0.06908(17) 0.72722(10) 0.0164(6) Uani 1 1 d . . . . .
N52 N 0.6403(2) 0.08097(18) 0.75010(10) 0.0179(6) Uani 1 1 d . . . . .
C53 C 0.6212(3) 0.0794(2) 0.79435(13) 0.0224(8) Uani 1 1 d . . . . .
C531 C 0.7015(3) 0.0962(3) 0.82793(14) 0.0317(9) Uani 1 1 d . . . . .
H53A H 0.674894 0.092568 0.858429 0.038 Uiso 1 1 calc R U . . .
H53B H 0.754404 0.056323 0.824476 0.038 Uiso 1 1 calc R U . . .
H53C H 0.727774 0.150649 0.822963 0.038 Uiso 1 1 calc R U . . .
C54 C 0.5211(3) 0.0664(2) 0.79994(13) 0.0231(8) Uani 1 1 d . . . . .
H54 H 0.487420 0.062584 0.827743 0.028 Uiso 1 1 calc R U . . .
C55 C 0.4794(3) 0.0600(2) 0.75708(12) 0.0194(7) Uani 1 1 d . . . . .
C551 C 0.3752(3) 0.0494(3) 0.74225(14) 0.0269(8) Uani 1 1 d . . . . .
H55A H 0.333191 0.043822 0.768701 0.032 Uiso 1 1 calc R U . . .
H55B H 0.354186 0.096655 0.724665 0.032 Uiso 1 1 calc R U . . .
H55C H 0.369512 0.000647 0.723584 0.032 Uiso 1 1 calc R U . . .
N61 N 0.5306(2) -0.04453(17) 0.65351(10) 0.0155(6) Uani 1 1 d . . . . .
N62 N 0.6042(2) -0.10156(17) 0.65786(10) 0.0167(6) Uani 1 1 d . . . . .
C63 C 0.5690(3) -0.1712(2) 0.64056(12) 0.0198(7) Uani 1 1 d . . . . .
C631 C 0.6291(3) -0.2473(2) 0.64189(14) 0.0269(8) Uani 1 1 d . . . . .
H63A H 0.591543 -0.291415 0.627797 0.032 Uiso 1 1 calc R U . . .
H63B H 0.690625 -0.238896 0.625474 0.032 Uiso 1 1 calc R U . . .
H63C H 0.644580 -0.261336 0.673267 0.032 Uiso 1 1 calc R U . . .
C64 C 0.4735(3) -0.1595(2) 0.62482(12) 0.0226(8) Uani 1 1 d . . . . .
H64 H 0.431375 -0.198604 0.611057 0.027 Uiso 1 1 calc R U . . .
C65 C 0.4518(3) -0.0785(2) 0.63335(12) 0.0199(7) Uani 1 1 d . . . . .
C651 C 0.3607(3) -0.0305(2) 0.62349(14) 0.0283(9) Uani 1 1 d . . . . .
H65A H 0.311339 -0.065316 0.608785 0.034 Uiso 1 1 calc R U . . .
H65B H 0.334059 -0.009410 0.651696 0.034 Uiso 1 1 calc R U . . .
H65C H 0.376817 0.014662 0.603499 0.034 Uiso 1 1 calc R U . . .
P11 P 0.75354(7) 0.51125(6) 0.61975(3) 0.0228(2) Uani 1 1 d . . . . .
F11 F 0.63758(18) 0.49651(16) 0.61350(10) 0.0416(6) Uani 1 1 d . . . . .
F12 F 0.7517(2) 0.45295(14) 0.66281(9) 0.0382(6) Uani 1 1 d . . . . .
F13 F 0.7755(2) 0.43592(17) 0.58830(10) 0.0512(8) Uani 1 1 d . . . . .
F14 F 0.86903(19) 0.52579(15) 0.62719(11) 0.0485(8) Uani 1 1 d . . . . .
F15 F 0.7539(2) 0.57090(17) 0.57788(9) 0.0452(7) Uani 1 1 d . . . . .
F16 F 0.7308(2) 0.58620(14) 0.65197(9) 0.0407(7) Uani 1 1 d . . . . .
P21 P 1.16840(14) 0.78224(15) 0.58212(9) 0.0233(6) Uiso 0.589(7) 1 d . . P A 1
F21 F 1.1363(3) 0.6913(3) 0.59465(18) 0.0353(12) Uiso 0.589(7) 1 d . . P A 1
F22 F 1.0776(4) 0.7790(4) 0.54196(19) 0.0363(14) Uiso 0.589(7) 1 d . . P A 1
F23 F 1.1037(4) 0.8162(3) 0.62101(17) 0.0391(13) Uiso 0.589(7) 1 d . . P A 1
F24 F 1.1981(4) 0.8731(3) 0.56947(18) 0.0338(13) Uiso 0.589(7) 1 d . . P A 1
F25 F 1.2598(3) 0.7744(3) 0.61571(17) 0.0404(13) Uiso 0.589(7) 1 d . . P A 1
F26 F 1.2346(5) 0.7455(4) 0.5418(2) 0.0573(17) Uiso 0.589(7) 1 d . . P A 1
P31 P 1.1713(2) 0.7601(2) 0.56922(13) 0.0262(8) Uiso 0.411(7) 1 d . . P A 2
F31 F 1.2719(6) 0.7442(5) 0.5966(3) 0.052(2) Uiso 0.411(7) 1 d . . P A 2
F32 F 1.1348(6) 0.6702(5) 0.5746(3) 0.054(2) Uiso 0.411(7) 1 d . . P A 2
F33 F 1.1166(7) 0.7833(6) 0.6142(3) 0.059(2) Uiso 0.411(7) 1 d . . P A 2
F34 F 1.2117(5) 0.8518(5) 0.5618(2) 0.0317(18) Uiso 0.411(7) 1 d . . P A 2
F35 F 1.2187(6) 0.7423(5) 0.5235(3) 0.054(2) Uiso 0.411(7) 1 d . . P A 2
F36 F 1.0680(6) 0.7975(5) 0.5509(3) 0.034(2) Uiso 0.411(7) 1 d . . P A 2
O1 O 0.8904(3) 0.7282(3) 0.47055(13) 0.0608(11) Uani 1 1 d . . . . .
C1A C 0.9736(13) 0.6118(8) 0.5055(4) 0.067(4) Uiso 0.57(3) 1 d . . P B 1
H1A H 1.039443 0.587338 0.504295 0.081 Uiso 0.57(3) 1 calc R U P B 1
H1B H 0.959914 0.628386 0.536524 0.081 Uiso 0.57(3) 1 calc R U P B 1
H1C H 0.924080 0.572210 0.495565 0.081 Uiso 0.57(3) 1 calc R U P B 1
C2A C 0.9694(10) 0.6883(8) 0.4736(4) 0.043(3) Uiso 0.57(3) 1 d . . P B 1
C3A C 1.0603(8) 0.7077(9) 0.4488(4) 0.049(3) Uiso 0.57(3) 1 d . . P B 1
H3A H 1.111780 0.668249 0.456547 0.059 Uiso 0.57(3) 1 calc R U P B 1
H3B H 1.046522 0.705449 0.416292 0.059 Uiso 0.57(3) 1 calc R U P B 1
H3C H 1.082783 0.762132 0.456956 0.059 Uiso 0.57(3) 1 calc R U P B 1
C1B C 1.0399(13) 0.6733(14) 0.4471(5) 0.061(5) Uiso 0.43(3) 1 d . . P B 2
H1D H 1.075474 0.622199 0.451354 0.074 Uiso 0.43(3) 1 calc R U P B 2
H1E H 1.026416 0.681692 0.414903 0.074 Uiso 0.43(3) 1 calc R U P B 2
H1F H 1.080306 0.718070 0.458701 0.074 Uiso 0.43(3) 1 calc R U P B 2
C2B C 0.9423(13) 0.6702(10) 0.4725(5) 0.045(4) Uiso 0.43(3) 1 d . . P B 2
C3B C 0.919(2) 0.6008(12) 0.4999(7) 0.088(7) Uiso 0.43(3) 1 d . . P B 2
H3D H 0.970650 0.559868 0.496794 0.106 Uiso 0.43(3) 1 calc R U P B 2
H3E H 0.914505 0.617360 0.531492 0.106 Uiso 0.43(3) 1 calc R U P B 2
H3F H 0.855391 0.578056 0.489925 0.106 Uiso 0.43(3) 1 calc R U P B 2
O2 O 1.4329(3) 0.6275(3) 0.48960(12) 0.0652(12) Uani 1 1 d . . . . .
C4 C 1.4627(6) 0.5865(7) 0.5631(2) 0.127(5) Uani 1 1 d . . . . .
H4A H 1.429273 0.551680 0.584854 0.152 Uiso 1 1 calc R U . . .
H4B H 1.528778 0.564928 0.557288 0.152 Uiso 1 1 calc R U . . .
H4C H 1.468412 0.641366 0.575318 0.152 Uiso 1 1 calc R U . . .
C5 C 1.4057(5) 0.5885(3) 0.52105(17) 0.0518(14) Uani 1 1 d . . . . .
C6 C 1.3079(7) 0.5452(5) 0.5208(2) 0.097(3) Uani 1 1 d . . . . .
H6A H 1.299420 0.516971 0.549471 0.116 Uiso 1 1 calc R U . . .
H6B H 1.254435 0.584615 0.516549 0.116 Uiso 1 1 calc R U . . .
H6C H 1.306053 0.505918 0.496037 0.116 Uiso 1 1 calc R U . . .
O3 O 0.6474(3) 0.8688(2) 0.45498(12) 0.0530(9) Uani 1 1 d . . . . .
C7 C 0.6580(5) 0.7427(4) 0.4196(3) 0.088(3) Uani 1 1 d . . . . .
H7A H 0.656913 0.686086 0.429426 0.106 Uiso 1 1 calc R U . . .
H7B H 0.603104 0.752432 0.398468 0.106 Uiso 1 1 calc R U . . .
H7C H 0.720628 0.754028 0.404665 0.106 Uiso 1 1 calc R U . . .
C8 C 0.6480(4) 0.7962(3) 0.45911(18) 0.0450(12) Uani 1 1 d . . . . .
C9 C 0.6370(5) 0.7596(5) 0.5049(3) 0.086(3) Uani 1 1 d . . . . .
H9A H 0.638934 0.700450 0.502449 0.104 Uiso 1 1 calc R U . . .
H9B H 0.691137 0.777996 0.524556 0.104 Uiso 1 1 calc R U . . .
H9C H 0.573790 0.776268 0.517635 0.104 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       DTREK
_computing_cell_refinement       DTREK
_computing_data_reduction        DTREK
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2017)'
_computing_molecular_graphics    'CrystalStructure 4.2'

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

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C122 1.977(3) . ?
Pt1 N21 1.998(3) . ?
Pt1 N11 2.032(3) . ?
Pt1 N31 2.054(3) . ?
Pt1 Ag1 3.1538(3) . ?
Pt2 C422 1.967(4) . ?
Pt2 N51 2.001(3) . ?
Pt2 N41 2.032(3) . ?
Pt2 N61 2.050(3) . ?
Pt2 Ag2 3.1884(3) . ?
Ag1 N62 2.086(3) . ?
Ag1 N22 2.099(3) . ?
Ag1 Ag2 3.0745(4) . ?
Ag2 N32 2.075(3) . ?
Ag2 N52 2.094(3) . ?
N11 C12 1.345(5) . ?
N11 C16 1.359(5) . ?
C12 C13 1.381(5) . ?
C12 N121 1.396(4) . ?
C13 C14 1.382(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.401(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.379(6) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
N121 C122 1.371(5) . ?
N121 C125 1.386(4) . ?
C122 N123 1.334(4) . ?
N123 C124 1.413(5) . ?
N123 C126 1.488(5) . ?
C124 C125 1.335(5) . ?
C124 H124 0.9500 . ?
C125 H125 0.9500 . ?
C126 C127 1.520(5) . ?
C126 C128 1.525(5) . ?
C126 H126 1.0000 . ?
C127 H12A 0.9800 . ?
C127 H12B 0.9800 . ?
C127 H12C 0.9800 . ?
C128 H12D 0.9800 . ?
C128 H12E 0.9800 . ?
C128 H12F 0.9800 . ?
N21 C25 1.341(5) . ?
N21 N22 1.374(4) . ?
N22 C23 1.336(5) . ?
C23 C24 1.393(5) . ?
C23 C231 1.501(6) . ?
C231 H23A 0.9800 . ?
C231 H23B 0.9800 . ?
C231 H23C 0.9800 . ?
C24 C25 1.391(6) . ?
C24 H24 0.9500 . ?
C25 C251 1.492(5) . ?
C251 H25A 0.9800 . ?
C251 H25B 0.9800 . ?
C251 H25C 0.9800 . ?
N31 C35 1.346(5) . ?
N31 N32 1.376(4) . ?
N32 C33 1.340(5) . ?
C33 C34 1.386(5) . ?
C33 C331 1.501(5) . ?
C331 H33A 0.9800 . ?
C331 H33B 0.9800 . ?
C331 H33C 0.9800 . ?
C34 C35 1.386(5) . ?
C34 H34 0.9500 . ?
C35 C351 1.494(5) . ?
C351 H35A 0.9800 . ?
C351 H35B 0.9800 . ?
C351 H35C 0.9800 . ?
N41 C42 1.349(5) . ?
N41 C46 1.356(5) . ?
C42 C43 1.385(5) . ?
C42 N421 1.399(5) . ?
C43 C44 1.380(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.384(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.375(5) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
N421 C422 1.376(5) . ?
N421 C425 1.392(5) . ?
C422 N423 1.343(5) . ?
N423 C424 1.394(5) . ?
N423 C426 1.491(5) . ?
C424 C425 1.342(6) . ?
C424 H424 0.9500 . ?
C425 H425 0.9500 . ?
C426 C428 1.516(6) . ?
C426 C427 1.524(6) . ?
C426 H426 1.0000 . ?
C427 H42A 0.9800 . ?
C427 H42B 0.9800 . ?
C427 H42C 0.9800 . ?
C428 H42D 0.9800 . ?
C428 H42E 0.9800 . ?
C428 H42F 0.9800 . ?
N51 C55 1.351(5) . ?
N51 N52 1.370(4) . ?
N52 C53 1.342(5) . ?
C53 C54 1.384(5) . ?
C53 C531 1.492(5) . ?
C531 H53A 0.9800 . ?
C531 H53B 0.9800 . ?
C531 H53C 0.9800 . ?
C54 C55 1.390(5) . ?
C54 H54 0.9500 . ?
C55 C551 1.483(5) . ?
C551 H55A 0.9800 . ?
C551 H55B 0.9800 . ?
C551 H55C 0.9800 . ?
N61 C65 1.341(4) . ?
N61 N62 1.376(4) . ?
N62 C63 1.345(4) . ?
C63 C64 1.384(5) . ?
C63 C631 1.498(5) . ?
C631 H63A 0.9800 . ?
C631 H63B 0.9800 . ?
C631 H63C 0.9800 . ?
C64 C65 1.395(5) . ?
C64 H64 0.9500 . ?
C65 C651 1.493(5) . ?
C651 H65A 0.9800 . ?
C651 H65B 0.9800 . ?
C651 H65C 0.9800 . ?
P11 F15 1.586(3) . ?
P11 F13 1.586(3) . ?
P11 F14 1.595(3) . ?
P11 F16 1.597(3) . ?
P11 F11 1.598(3) . ?
P11 F12 1.601(3) . ?
P21 F23 1.563(5) . ?
P21 F25 1.586(5) . ?
P21 F24 1.600(5) . ?
P21 F21 1.609(5) . ?
P21 F26 1.623(7) . ?
P21 F22 1.703(6) . ?
P31 F35 1.536(9) . ?
P31 F32 1.575(9) . ?
P31 F33 1.582(9) . ?
P31 F31 1.599(8) . ?
P31 F36 1.617(8) . ?
P31 F34 1.627(8) . ?
O1 C2B 1.189(15) . ?
O1 C2A 1.259(12) . ?
C1A C2A 1.581(16) . ?
C1A H1A 0.9800 . ?
C1A H1B 0.9800 . ?
C1A H1C 0.9800 . ?
C2A C3A 1.477(15) . ?
C3A H3A 0.9800 . ?
C3A H3B 0.9800 . ?
C3A H3C 0.9800 . ?
C1B C2B 1.53(2) . ?
C1B H1D 0.9800 . ?
C1B H1E 0.9800 . ?
C1B H1F 0.9800 . ?
C2B C3B 1.44(2) . ?
C3B H3D 0.9800 . ?
C3B H3E 0.9800 . ?
C3B H3F 0.9800 . ?
O2 C5 1.196(6) . ?
C4 C5 1.460(8) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.506(9) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
O3 C8 1.206(6) . ?
C7 C8 1.477(8) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.497(8) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C122 Pt1 N21 97.93(13) . . ?
C122 Pt1 N11 79.74(13) . . ?
N21 Pt1 N11 172.53(12) . . ?
C122 Pt1 N31 172.05(13) . . ?
N21 Pt1 N31 89.55(12) . . ?
N11 Pt1 N31 93.17(12) . . ?
C122 Pt1 Ag1 73.97(10) . . ?
N21 Pt1 Ag1 65.66(9) . . ?
N11 Pt1 Ag1 106.88(8) . . ?
N31 Pt1 Ag1 111.88(8) . . ?
C422 Pt2 N51 97.33(13) . . ?
C422 Pt2 N41 80.06(13) . . ?
N51 Pt2 N41 173.36(12) . . ?
C422 Pt2 N61 170.43(13) . . ?
N51 Pt2 N61 91.26(11) . . ?
N41 Pt2 N61 91.84(12) . . ?
C422 Pt2 Ag2 77.67(10) . . ?
N51 Pt2 Ag2 65.43(8) . . ?
N41 Pt2 Ag2 107.96(9) . . ?
N61 Pt2 Ag2 109.96(8) . . ?
N62 Ag1 N22 174.01(11) . . ?
N62 Ag1 Ag2 111.66(8) . . ?
N22 Ag1 Ag2 74.04(8) . . ?
N62 Ag1 Pt1 120.19(8) . . ?
N22 Ag1 Pt1 62.85(8) . . ?
Ag2 Ag1 Pt1 70.270(8) . . ?
N32 Ag2 N52 171.92(11) . . ?
N32 Ag2 Ag1 111.68(8) . . ?
N52 Ag2 Ag1 76.29(8) . . ?
N32 Ag2 Pt2 121.13(8) . . ?
N52 Ag2 Pt2 61.88(8) . . ?
Ag1 Ag2 Pt2 70.609(8) . . ?
C12 N11 C16 118.4(3) . . ?
C12 N11 Pt1 115.8(2) . . ?
C16 N11 Pt1 125.6(3) . . ?
N11 C12 C13 123.1(3) . . ?
N11 C12 N121 112.4(3) . . ?
C13 C12 N121 124.5(3) . . ?
C12 C13 C14 118.2(4) . . ?
C12 C13 H13 120.9 . . ?
C14 C13 H13 120.9 . . ?
C13 C14 C15 119.8(4) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C16 C15 C14 118.5(4) . . ?
C16 C15 H15 120.8 . . ?
C14 C15 H15 120.8 . . ?
N11 C16 C15 122.0(4) . . ?
N11 C16 H16 119.0 . . ?
C15 C16 H16 119.0 . . ?
C122 N121 C125 111.0(3) . . ?
C122 N121 C12 118.8(3) . . ?
C125 N121 C12 129.8(3) . . ?
N123 C122 N121 105.4(3) . . ?
N123 C122 Pt1 141.3(3) . . ?
N121 C122 Pt1 113.1(2) . . ?
C122 N123 C124 109.7(3) . . ?
C122 N123 C126 127.3(3) . . ?
C124 N123 C126 122.9(3) . . ?
C125 C124 N123 107.9(3) . . ?
C125 C124 H124 126.0 . . ?
N123 C124 H124 126.0 . . ?
C124 C125 N121 106.0(3) . . ?
C124 C125 H125 127.0 . . ?
N121 C125 H125 127.0 . . ?
N123 C126 C127 110.0(3) . . ?
N123 C126 C128 109.7(3) . . ?
C127 C126 C128 112.1(3) . . ?
N123 C126 H126 108.3 . . ?
C127 C126 H126 108.3 . . ?
C128 C126 H126 108.3 . . ?
C126 C127 H12A 109.5 . . ?
C126 C127 H12B 109.5 . . ?
H12A C127 H12B 109.5 . . ?
C126 C127 H12C 109.5 . . ?
H12A C127 H12C 109.5 . . ?
H12B C127 H12C 109.5 . . ?
C126 C128 H12D 109.5 . . ?
C126 C128 H12E 109.5 . . ?
H12D C128 H12E 109.5 . . ?
C126 C128 H12F 109.5 . . ?
H12D C128 H12F 109.5 . . ?
H12E C128 H12F 109.5 . . ?
C25 N21 N22 109.4(3) . . ?
C25 N21 Pt1 134.2(3) . . ?
N22 N21 Pt1 116.3(2) . . ?
C23 N22 N21 107.5(3) . . ?
C23 N22 Ag1 137.2(3) . . ?
N21 N22 Ag1 115.1(2) . . ?
N22 C23 C24 109.3(3) . . ?
N22 C23 C231 120.6(3) . . ?
C24 C23 C231 130.0(4) . . ?
C23 C231 H23A 109.5 . . ?
C23 C231 H23B 109.5 . . ?
H23A C231 H23B 109.5 . . ?
C23 C231 H23C 109.5 . . ?
H23A C231 H23C 109.5 . . ?
H23B C231 H23C 109.5 . . ?
C25 C24 C23 105.8(3) . . ?
C25 C24 H24 127.1 . . ?
C23 C24 H24 127.1 . . ?
N21 C25 C24 108.0(3) . . ?
N21 C25 C251 121.7(3) . . ?
C24 C25 C251 130.3(3) . . ?
C25 C251 H25A 109.5 . . ?
C25 C251 H25B 109.5 . . ?
H25A C251 H25B 109.5 . . ?
C25 C251 H25C 109.5 . . ?
H25A C251 H25C 109.5 . . ?
H25B C251 H25C 109.5 . . ?
C35 N31 N32 108.9(3) . . ?
C35 N31 Pt1 130.1(2) . . ?
N32 N31 Pt1 119.4(2) . . ?
C33 N32 N31 107.3(3) . . ?
C33 N32 Ag2 128.8(3) . . ?
N31 N32 Ag2 122.7(2) . . ?
N32 C33 C34 109.7(3) . . ?
N32 C33 C331 120.5(3) . . ?
C34 C33 C331 129.7(4) . . ?
C33 C331 H33A 109.5 . . ?
C33 C331 H33B 109.5 . . ?
H33A C331 H33B 109.5 . . ?
C33 C331 H33C 109.5 . . ?
H33A C331 H33C 109.5 . . ?
H33B C331 H33C 109.5 . . ?
C35 C34 C33 105.6(3) . . ?
C35 C34 H34 127.2 . . ?
C33 C34 H34 127.2 . . ?
N31 C35 C34 108.5(3) . . ?
N31 C35 C351 121.8(3) . . ?
C34 C35 C351 129.7(3) . . ?
C35 C351 H35A 109.5 . . ?
C35 C351 H35B 109.5 . . ?
H35A C351 H35B 109.5 . . ?
C35 C351 H35C 109.5 . . ?
H35A C351 H35C 109.5 . . ?
H35B C351 H35C 109.5 . . ?
C42 N41 C46 118.3(3) . . ?
C42 N41 Pt2 115.5(2) . . ?
C46 N41 Pt2 126.2(3) . . ?
N41 C42 C43 123.1(4) . . ?
N41 C42 N421 112.6(3) . . ?
C43 C42 N421 124.3(4) . . ?
C44 C43 C42 117.6(4) . . ?
C44 C43 H43 121.2 . . ?
C42 C43 H43 121.2 . . ?
C43 C44 C45 120.0(4) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C46 C45 C44 119.4(4) . . ?
C46 C45 H45 120.3 . . ?
C44 C45 H45 120.3 . . ?
N41 C46 C45 121.5(4) . . ?
N41 C46 H46 119.2 . . ?
C45 C46 H46 119.2 . . ?
C422 N421 C425 111.3(3) . . ?
C422 N421 C42 118.4(3) . . ?
C425 N421 C42 130.2(3) . . ?
N423 C422 N421 104.3(3) . . ?
N423 C422 Pt2 142.0(3) . . ?
N421 C422 Pt2 113.4(3) . . ?
C422 N423 C424 110.9(3) . . ?
C422 N423 C426 125.9(3) . . ?
C424 N423 C426 123.2(3) . . ?
C425 C424 N423 107.9(3) . . ?
C425 C424 H424 126.1 . . ?
N423 C424 H424 126.1 . . ?
C424 C425 N421 105.7(3) . . ?
C424 C425 H425 127.1 . . ?
N421 C425 H425 127.1 . . ?
N423 C426 C428 108.7(3) . . ?
N423 C426 C427 110.0(3) . . ?
C428 C426 C427 113.3(4) . . ?
N423 C426 H426 108.2 . . ?
C428 C426 H426 108.2 . . ?
C427 C426 H426 108.2 . . ?
C426 C427 H42A 109.5 . . ?
C426 C427 H42B 109.5 . . ?
H42A C427 H42B 109.5 . . ?
C426 C427 H42C 109.5 . . ?
H42A C427 H42C 109.5 . . ?
H42B C427 H42C 109.5 . . ?
C426 C428 H42D 109.5 . . ?
C426 C428 H42E 109.5 . . ?
H42D C428 H42E 109.5 . . ?
C426 C428 H42F 109.5 . . ?
H42D C428 H42F 109.5 . . ?
H42E C428 H42F 109.5 . . ?
C55 N51 N52 109.3(3) . . ?
C55 N51 Pt2 134.9(3) . . ?
N52 N51 Pt2 115.7(2) . . ?
C53 N52 N51 107.9(3) . . ?
C53 N52 Ag2 135.1(3) . . ?
N51 N52 Ag2 117.0(2) . . ?
N52 C53 C54 108.8(3) . . ?
N52 C53 C531 120.2(4) . . ?
C54 C53 C531 130.9(4) . . ?
C53 C531 H53A 109.5 . . ?
C53 C531 H53B 109.5 . . ?
H53A C531 H53B 109.5 . . ?
C53 C531 H53C 109.5 . . ?
H53A C531 H53C 109.5 . . ?
H53B C531 H53C 109.5 . . ?
C53 C54 C55 106.8(3) . . ?
C53 C54 H54 126.6 . . ?
C55 C54 H54 126.6 . . ?
N51 C55 C54 107.3(3) . . ?
N51 C55 C551 121.7(3) . . ?
C54 C55 C551 130.9(3) . . ?
C55 C551 H55A 109.5 . . ?
C55 C551 H55B 109.5 . . ?
H55A C551 H55B 109.5 . . ?
C55 C551 H55C 109.5 . . ?
H55A C551 H55C 109.5 . . ?
H55B C551 H55C 109.5 . . ?
C65 N61 N62 109.1(3) . . ?
C65 N61 Pt2 127.2(2) . . ?
N62 N61 Pt2 121.3(2) . . ?
C63 N62 N61 107.3(3) . . ?
C63 N62 Ag1 130.2(2) . . ?
N61 N62 Ag1 120.7(2) . . ?
N62 C63 C64 109.6(3) . . ?
N62 C63 C631 121.2(3) . . ?
C64 C63 C631 129.2(3) . . ?
C63 C631 H63A 109.5 . . ?
C63 C631 H63B 109.5 . . ?
H63A C631 H63B 109.5 . . ?
C63 C631 H63C 109.5 . . ?
H63A C631 H63C 109.5 . . ?
H63B C631 H63C 109.5 . . ?
C63 C64 C65 105.7(3) . . ?
C63 C64 H64 127.2 . . ?
C65 C64 H64 127.2 . . ?
N61 C65 C64 108.3(3) . . ?
N61 C65 C651 121.1(3) . . ?
C64 C65 C651 130.5(3) . . ?
C65 C651 H65A 109.5 . . ?
C65 C651 H65B 109.5 . . ?
H65A C651 H65B 109.5 . . ?
C65 C651 H65C 109.5 . . ?
H65A C651 H65C 109.5 . . ?
H65B C651 H65C 109.5 . . ?
F15 P11 F13 91.38(16) . . ?
F15 P11 F14 90.16(16) . . ?
F13 P11 F14 90.53(17) . . ?
F15 P11 F16 89.43(15) . . ?
F13 P11 F16 179.14(16) . . ?
F14 P11 F16 89.77(16) . . ?
F15 P11 F11 90.93(15) . . ?
F13 P11 F11 90.18(17) . . ?
F14 P11 F11 178.69(17) . . ?
F16 P11 F11 89.51(16) . . ?
F15 P11 F12 178.42(17) . . ?
F13 P11 F12 90.14(15) . . ?
F14 P11 F12 90.26(16) . . ?
F16 P11 F12 89.05(14) . . ?
F11 P11 F12 88.63(14) . . ?
F23 P21 F25 90.3(3) . . ?
F23 P21 F24 88.9(3) . . ?
F25 P21 F24 91.6(3) . . ?
F23 P21 F21 90.5(3) . . ?
F25 P21 F21 89.4(3) . . ?
F24 P21 F21 178.8(3) . . ?
F23 P21 F26 179.0(3) . . ?
F25 P21 F26 90.0(3) . . ?
F24 P21 F26 92.0(3) . . ?
F21 P21 F26 88.6(3) . . ?
F23 P21 F22 97.0(3) . . ?
F25 P21 F22 171.6(3) . . ?
F24 P21 F22 92.7(3) . . ?
F21 P21 F22 86.4(3) . . ?
F26 P21 F22 82.7(3) . . ?
F35 P31 F32 92.5(5) . . ?
F35 P31 F33 175.3(5) . . ?
F32 P31 F33 89.6(5) . . ?
F35 P31 F31 93.1(5) . . ?
F32 P31 F31 93.5(4) . . ?
F33 P31 F31 91.0(5) . . ?
F35 P31 F36 98.4(5) . . ?
F32 P31 F36 97.1(4) . . ?
F33 P31 F36 77.2(5) . . ?
F31 P31 F36 164.0(5) . . ?
F35 P31 F34 85.0(4) . . ?
F32 P31 F34 177.5(5) . . ?
F33 P31 F34 92.9(5) . . ?
F31 P31 F34 86.3(4) . . ?
F36 P31 F34 83.7(4) . . ?
C2A C1A H1A 109.5 . . ?
C2A C1A H1B 109.5 . . ?
H1A C1A H1B 109.5 . . ?
C2A C1A H1C 109.5 . . ?
H1A C1A H1C 109.5 . . ?
H1B C1A H1C 109.5 . . ?
O1 C2A C3A 124.3(10) . . ?
O1 C2A C1A 119.1(10) . . ?
C3A C2A C1A 116.6(9) . . ?
C2A C3A H3A 109.5 . . ?
C2A C3A H3B 109.5 . . ?
H3A C3A H3B 109.5 . . ?
C2A C3A H3C 109.5 . . ?
H3A C3A H3C 109.5 . . ?
H3B C3A H3C 109.5 . . ?
C2B C1B H1D 109.5 . . ?
C2B C1B H1E 109.5 . . ?
H1D C1B H1E 109.5 . . ?
C2B C1B H1F 109.5 . . ?
H1D C1B H1F 109.5 . . ?
H1E C1B H1F 109.5 . . ?
O1 C2B C3B 122.3(15) . . ?
O1 C2B C1B 117.5(13) . . ?
C3B C2B C1B 120.1(14) . . ?
C2B C3B H3D 109.5 . . ?
C2B C3B H3E 109.5 . . ?
H3D C3B H3E 109.5 . . ?
C2B C3B H3F 109.5 . . ?
H3D C3B H3F 109.5 . . ?
H3E C3B H3F 109.5 . . ?
C5 C4 H4A 109.5 . . ?
C5 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C5 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O2 C5 C4 121.0(6) . . ?
O2 C5 C6 122.1(5) . . ?
C4 C5 C6 116.8(5) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O3 C8 C7 121.0(6) . . ?
O3 C8 C9 119.6(6) . . ?
C7 C8 C9 119.3(6) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C16 N11 C12 C13 0.7(6) . . . . ?
Pt1 N11 C12 C13 175.7(3) . . . . ?
C16 N11 C12 N121 -177.6(3) . . . . ?
Pt1 N11 C12 N121 -2.7(4) . . . . ?
N11 C12 C13 C14 -1.1(6) . . . . ?
N121 C12 C13 C14 177.0(4) . . . . ?
C12 C13 C14 C15 0.8(6) . . . . ?
C13 C14 C15 C16 -0.1(6) . . . . ?
C12 N11 C16 C15 0.1(6) . . . . ?
Pt1 N11 C16 C15 -174.4(3) . . . . ?
C14 C15 C16 N11 -0.4(6) . . . . ?
N11 C12 N121 C122 0.7(5) . . . . ?
C13 C12 N121 C122 -177.6(4) . . . . ?
N11 C12 N121 C125 -171.8(4) . . . . ?
C13 C12 N121 C125 9.9(6) . . . . ?
C125 N121 C122 N123 -0.3(4) . . . . ?
C12 N121 C122 N123 -174.1(3) . . . . ?
C125 N121 C122 Pt1 175.5(2) . . . . ?
C12 N121 C122 Pt1 1.6(4) . . . . ?
N121 C122 N123 C124 0.2(4) . . . . ?
Pt1 C122 N123 C124 -173.6(3) . . . . ?
N121 C122 N123 C126 177.0(3) . . . . ?
Pt1 C122 N123 C126 3.3(7) . . . . ?
C122 N123 C124 C125 0.0(4) . . . . ?
C126 N123 C124 C125 -177.0(3) . . . . ?
N123 C124 C125 N121 -0.2(4) . . . . ?
C122 N121 C125 C124 0.3(4) . . . . ?
C12 N121 C125 C124 173.3(4) . . . . ?
C122 N123 C126 C127 112.8(4) . . . . ?
C124 N123 C126 C127 -70.7(4) . . . . ?
C122 N123 C126 C128 -123.5(4) . . . . ?
C124 N123 C126 C128 53.0(5) . . . . ?
C25 N21 N22 C23 -0.3(4) . . . . ?
Pt1 N21 N22 C23 -178.3(2) . . . . ?
C25 N21 N22 Ag1 174.9(2) . . . . ?
Pt1 N21 N22 Ag1 -3.1(3) . . . . ?
N21 N22 C23 C24 0.4(4) . . . . ?
Ag1 N22 C23 C24 -173.2(3) . . . . ?
N21 N22 C23 C231 -176.6(3) . . . . ?
Ag1 N22 C23 C231 9.9(6) . . . . ?
N22 C23 C24 C25 -0.3(4) . . . . ?
C231 C23 C24 C25 176.3(4) . . . . ?
N22 N21 C25 C24 0.1(4) . . . . ?
Pt1 N21 C25 C24 177.6(3) . . . . ?
N22 N21 C25 C251 178.9(3) . . . . ?
Pt1 N21 C25 C251 -3.7(5) . . . . ?
C23 C24 C25 N21 0.1(4) . . . . ?
C23 C24 C25 C251 -178.5(4) . . . . ?
C35 N31 N32 C33 -0.4(4) . . . . ?
Pt1 N31 N32 C33 -167.2(3) . . . . ?
C35 N31 N32 Ag2 -168.6(2) . . . . ?
Pt1 N31 N32 Ag2 24.7(3) . . . . ?
N31 N32 C33 C34 -0.3(4) . . . . ?
Ag2 N32 C33 C34 166.9(3) . . . . ?
N31 N32 C33 C331 179.3(4) . . . . ?
Ag2 N32 C33 C331 -13.5(6) . . . . ?
N32 C33 C34 C35 0.8(5) . . . . ?
C331 C33 C34 C35 -178.7(4) . . . . ?
N32 N31 C35 C34 0.9(4) . . . . ?
Pt1 N31 C35 C34 165.8(3) . . . . ?
N32 N31 C35 C351 -178.9(3) . . . . ?
Pt1 N31 C35 C351 -14.0(6) . . . . ?
C33 C34 C35 N31 -1.1(4) . . . . ?
C33 C34 C35 C351 178.7(4) . . . . ?
C46 N41 C42 C43 1.4(6) . . . . ?
Pt2 N41 C42 C43 178.0(3) . . . . ?
C46 N41 C42 N421 -177.9(3) . . . . ?
Pt2 N41 C42 N421 -1.2(4) . . . . ?
N41 C42 C43 C44 -0.3(6) . . . . ?
N421 C42 C43 C44 178.8(4) . . . . ?
C42 C43 C44 C45 -1.0(6) . . . . ?
C43 C44 C45 C46 1.3(6) . . . . ?
C42 N41 C46 C45 -1.1(5) . . . . ?
Pt2 N41 C46 C45 -177.3(3) . . . . ?
C44 C45 C46 N41 -0.2(6) . . . . ?
N41 C42 N421 C422 1.4(5) . . . . ?
C43 C42 N421 C422 -177.9(4) . . . . ?
N41 C42 N421 C425 -174.1(4) . . . . ?
C43 C42 N421 C425 6.6(7) . . . . ?
C425 N421 C422 N423 0.1(4) . . . . ?
C42 N421 C422 N423 -176.3(3) . . . . ?
C425 N421 C422 Pt2 175.4(3) . . . . ?
C42 N421 C422 Pt2 -0.9(4) . . . . ?
N421 C422 N423 C424 -0.4(4) . . . . ?
Pt2 C422 N423 C424 -173.5(4) . . . . ?
N421 C422 N423 C426 176.7(3) . . . . ?
Pt2 C422 N423 C426 3.6(7) . . . . ?
C422 N423 C424 C425 0.5(5) . . . . ?
C426 N423 C424 C425 -176.6(3) . . . . ?
N423 C424 C425 N421 -0.5(5) . . . . ?
C422 N421 C425 C424 0.3(5) . . . . ?
C42 N421 C425 C424 176.0(4) . . . . ?
C422 N423 C426 C428 -117.5(4) . . . . ?
C424 N423 C426 C428 59.3(5) . . . . ?
C422 N423 C426 C427 118.0(4) . . . . ?
C424 N423 C426 C427 -65.3(5) . . . . ?
C55 N51 N52 C53 -0.1(4) . . . . ?
Pt2 N51 N52 C53 175.8(2) . . . . ?
C55 N51 N52 Ag2 -177.5(2) . . . . ?
Pt2 N51 N52 Ag2 -1.6(3) . . . . ?
N51 N52 C53 C54 0.0(4) . . . . ?
Ag2 N52 C53 C54 176.7(3) . . . . ?
N51 N52 C53 C531 -176.0(3) . . . . ?
Ag2 N52 C53 C531 0.7(5) . . . . ?
N52 C53 C54 C55 0.0(4) . . . . ?
C531 C53 C54 C55 175.4(4) . . . . ?
N52 N51 C55 C54 0.1(4) . . . . ?
Pt2 N51 C55 C54 -174.7(3) . . . . ?
N52 N51 C55 C551 177.5(3) . . . . ?
Pt2 N51 C55 C551 2.7(5) . . . . ?
C53 C54 C55 N51 -0.1(4) . . . . ?
C53 C54 C55 C551 -177.2(4) . . . . ?
C65 N61 N62 C63 -0.7(4) . . . . ?
Pt2 N61 N62 C63 -164.2(2) . . . . ?
C65 N61 N62 Ag1 -166.9(2) . . . . ?
Pt2 N61 N62 Ag1 29.6(3) . . . . ?
N61 N62 C63 C64 0.4(4) . . . . ?
Ag1 N62 C63 C64 164.8(3) . . . . ?
N61 N62 C63 C631 -177.1(3) . . . . ?
Ag1 N62 C63 C631 -12.7(5) . . . . ?
N62 C63 C64 C65 0.1(4) . . . . ?
C631 C63 C64 C65 177.3(4) . . . . ?
N62 N61 C65 C64 0.8(4) . . . . ?
Pt2 N61 C65 C64 163.0(2) . . . . ?
N62 N61 C65 C651 -179.1(3) . . . . ?
Pt2 N61 C65 C651 -16.8(5) . . . . ?
C63 C64 C65 N61 -0.5(4) . . . . ?
C63 C64 C65 C651 179.3(4) . . . . ?

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#==============================================================================
#     End of CIF
#==============================================================================


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: acetone/hexane'
