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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_lm010_0m
_database_code_depnum_ccdc_archive 'CCDC 2339432'
loop_
_audit_author_name
_audit_author_address
'Lise-Marie Chamoreau'
;Sorbonne Universite, CNRS, IPCM 
France
;
_audit_update_record             
;
2024-03-11 deposited with the CCDC.	2024-06-10 downloaded from the CCDC.
;
_audit_creation_date             2024-03-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C83 H95 Ag F3 N10 O3 Pt2 S, 2(C F3 O3 S), 2.5(C H Cl3)'
_chemical_formula_sum            'C87.50 H97.50 Ag Cl7.50 F9 N10 O9 Pt2 S3'
_chemical_formula_weight         2464.35
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.4562(9)
_cell_length_b                   42.508(3)
_cell_length_c                   15.6202(12)
_cell_angle_alpha                90
_cell_angle_beta                 105.542(4)
_cell_angle_gamma                90
_cell_volume                     9887.5(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4911
_cell_measurement_temperature    200
_cell_measurement_theta_max      45.54
_cell_measurement_theta_min      3.12
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    9.854
_exptl_absorpt_correction_T_max  0.7493
_exptl_absorpt_correction_T_min  0.4831
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0924 before and 0.0670 after correction.
The Ratio of minimum to maximum transmission is 0.6447.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light orange'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             4896
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1455
_diffrn_reflns_av_unetI/netI     0.1398
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            36015
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        47.263
_diffrn_reflns_theta_max         47.263
_diffrn_reflns_theta_min         3.599
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           0.65
_diffrn_source_power             0.02925
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5114
_reflns_number_total             8823
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         2.223
_refine_diff_density_min         -1.793
_refine_diff_density_rms         0.202
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     600
_refine_ls_number_reflns         8823
_refine_ls_number_restraints     53
_refine_ls_R_factor_all          0.1900
_refine_ls_R_factor_gt           0.1270
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0941P)²+621.2064P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2911
_refine_ls_wR_factor_ref         0.3264
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Cl8-C63 = Cl7-C63 = Cl4-C63
 1.78 with sigma of 0.02
 C56-C58B
 1.54 with sigma of 0.02
 C88-Cl9
 1.84 with sigma of 0.02
 C88-Cl15
 1.84 with sigma of 0.02
 C8-F7 = C8-F10 = C8-F11
 1.33 with sigma of 0.02
 C8-S6
 1.82 with sigma of 0.02
 S6-O8 = S6-O10 = S6-O11
 1.44 with sigma of 0.02
 C8-O8
 2.58 with sigma of 0.04
 C8-O10
 2.56 with sigma of 0.04
 C8-O11
 2.57 with sigma of 0.04
 Cl9-C88 \\sim Cl10-C88 \\sim Cl12-C88 \\sim Cl14-C88 \\sim Cl13-C88
 with sigma of 0.02
 C8-F7 \\sim C8-F10 \\sim C8-F11
 with sigma of 0.02
 F7-F10 \\sim F10-F11 \\sim F11-F7
 with sigma of 0.04
 S6-F7 \\sim S6-F10 \\sim S6-F11
 with sigma of 0.04
 S6-O8 \\sim S6-O10 \\sim S6-O11
 with sigma of 0.02
 O8-O10 \\sim O10-O11 \\sim O8-O11
 with sigma of 0.04
 C8-O8 \\sim C8-O10 \\sim C8-O11
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Cl3 \\sim Cl11 \\sim Cl1 \\sim Cl6 \\sim Cl5: within 1.7A with sigma of 0.04
and sigma for terminal atoms of 0.08 within 1.7A
C8 \\sim F7 \\sim F10 \\sim F11 \\sim S6 \\sim O8 \\sim O10 \\sim O11: within
2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
: with sigma of 0.1 and sigma for terminal atoms of 0.2
: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uiso(C57) = Uiso(C57A)
Uiso(C62) = Uiso(C62A)
Uiso(C62A) = Uiso(C62)
Uiso(C60) = Uiso(C60A)
Uiso(C59) = Uiso(C59A)
Uiso(C55) = Uiso(C55A)
Uiso(C62A) = Uiso(C62B)
4. Rigid body (RIGU) restrains
 C8, F7, F10, F11, S6, O8, O10, O11
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: C54(0.6) H54A(0.6) H54B(0.6) C55(0.4) H55A(0.4) H55B(0.4) C56(0.4)
 H56(0.4) C58(0.6) H58A(0.6) H58B(0.6) C57(0.4) H57A(0.4) H57B(0.4) C59(0.6)
 H59A(0.6) H59B(0.6) C61(0.6) H61A(0.6) H61B(0.6) C60(0.6) H60(0.6) Cl1(0.5)
 Cl11(0.5) Cl3(0.5) Cl5(0.5) Cl6(0.5) H86A(0.5) H86(0.5) Cl10(0.5) Cl14(0.5)
 Cl9(0.5) H88A(0.5) H88(0.5) C61B(0.4) H61C(0.4) H61D(0.4) C58B(0.4) H58C(0.4)
 H58D(0.4) C54B(0.4) H54C(0.4) H54D(0.4) Cl7(0.5) Cl8(0.5) Cl4(0.5) C63(0.5)
 H63(0.5) C62(0.6) H62(0.6) Cl2(0.5) Cl13(0.5) Cl12(0.5) Cl15(0.5) C57A(0.6)
 H57C(0.6) C55A(0.6) H55C(0.6) C59A(0.4) H59C(0.4) C60A(0.4) H60A(0.4)
 C62A(0.4) H62A(0.4) C62B(0.6) H62B(0.6) H62C(0.6)
6.a Ternary CH refined with riding coordinates:
 C44(H44), C46(H46), C49(H49), C56(H56), C60(H60), C67(H67), C69(H69),
 C72(H72), C78(H78), C80(H80), C83(H83), C86(H86A), C86(H86), C88(H88A),
 C88(H88), C63(H63), C62(H62), C55A(H55C), C59A(H59C), C62A(H62A)
6.b Secondary CH2 refined with riding coordinates:
 C43(H43A,H43B), C45(H45A,H45B), C47(H47A,H47B), C48(H48A,H48B), C50(H50A,
 H50B), C51(H51A,H51B), C54(H54A,H54B), C55(H55A,H55B), C58(H58A,H58B),
 C57(H57A,H57B), C59(H59A,H59B), C61(H61A,H61B), C66(H66A,H66B), C68(H68A,H68B),
  C70(H70A,H70B), C71(H71A,H71B), C73(H73A,H73B), C74(H74A,H74B), C77(H77A,
 H77B), C79(H79A,H79B), C81(H81A,H81B), C82(H82A,H82B), C84(H84A,H84B),
 C85(H85A,H85B), C61B(H61C,H61D), C58B(H58C,H58D), C54B(H54C,H54D), C62B(H62B,
 H62C)
6.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C9(H9), C13(H13), C14(H14), C15(H15),
 C16(H16), C21(H21), C22(H22), C23(H23), C24(H24), C27(H27), C33(H33), C34(H34),
  C35(H35), C36(H36), C57A(H57C), C60A(H60A)
6.d Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C38(H38A,H38B,
 H38C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.48692(9) 0.34614(4) 0.51759(10) 0.0568(6) Uani 1 1 d . . . . .
Pt2 Pt 0.43386(9) 0.34306(4) 0.14723(10) 0.0514(5) Uani 1 1 d . . . . .
Ag1 Ag 0.46123(16) 0.35685(6) 0.33124(18) 0.0548(8) Uani 1 1 d . . . . .
N1 N 0.3879(18) 0.3133(6) 0.5051(18) 0.057(8) Uiso 1 1 d . . . . .
N2 N 0.6087(15) 0.3567(5) 0.3564(15) 0.032(6) Uiso 1 1 d . . . . .
N3 N 0.3171(18) 0.3540(6) 0.3088(18) 0.057(8) Uiso 1 1 d . . . . .
N4 N 0.5310(17) 0.3113(6) 0.1619(18) 0.049(7) Uiso 1 1 d . . . . .
N7 N 0.3823(18) 0.3994(7) 0.5917(18) 0.056(8) Uiso 1 1 d . . . . .
N8 N 0.6478(19) 0.3908(7) 0.5647(19) 0.059(8) Uiso 1 1 d . . . . .
N9 N 0.2712(19) 0.3859(7) 0.0968(19) 0.063(8) Uiso 1 1 d . . . . .
N10 N 0.5342(18) 0.3957(7) 0.0705(18) 0.059(8) Uiso 1 1 d . . . . .
C1 C 0.297(2) 0.3205(9) 0.502(2) 0.066(11) Uiso 1 1 d . . . . .
H1 H 0.272118 0.340956 0.496275 0.079 Uiso 1 1 calc R U . . .
C2 C 0.253(3) 0.2937(10) 0.508(3) 0.085(13) Uiso 1 1 d . . . . .
H2 H 0.195161 0.296885 0.515896 0.103 Uiso 1 1 calc R U . . .
C3 C 0.275(2) 0.2639(9) 0.505(2) 0.067(11) Uiso 1 1 d . . . . .
H3 H 0.234018 0.247624 0.507867 0.080 Uiso 1 1 calc R U . . .
C4 C 0.355(3) 0.2577(10) 0.499(3) 0.079(12) Uiso 1 1 d . . . . .
H4 H 0.373002 0.236503 0.495142 0.094 Uiso 1 1 calc R U . . .
C5 C 0.415(3) 0.2824(10) 0.499(3) 0.077(12) Uiso 1 1 d . . . . .
C6 C 0.5051(19) 0.2834(7) 0.4800(19) 0.036(8) Uiso 1 1 d . . . . .
N5 N 0.5284(19) 0.2539(7) 0.467(2) 0.068(9) Uiso 1 1 d . . . . .
C90 C 0.611(2) 0.2509(8) 0.445(2) 0.055(10) Uiso 1 1 d . . . . .
C9 C 0.646(2) 0.2775(9) 0.417(2) 0.068(11) Uiso 1 1 d . . . . .
H9 H 0.690770 0.275218 0.386215 0.081 Uiso 1 1 calc R U . . .
C10 C 0.619(2) 0.3064(8) 0.431(2) 0.061(10) Uiso 1 1 d . . . . .
C11 C 0.5425(18) 0.3103(6) 0.4718(18) 0.030(7) Uiso 1 1 d . . . . .
C12 C 0.659(2) 0.3346(9) 0.398(3) 0.068(11) Uiso 1 1 d . . . . .
C13 C 0.752(2) 0.3348(9) 0.412(2) 0.071(11) Uiso 1 1 d . . . . .
H13 H 0.787912 0.318059 0.443849 0.086 Uiso 1 1 calc R U . . .
C14 C 0.793(3) 0.3600(9) 0.379(3) 0.081(12) Uiso 1 1 d . . . . .
H14 H 0.855925 0.361290 0.388925 0.097 Uiso 1 1 calc R U . . .
C15 C 0.738(2) 0.3817(9) 0.334(2) 0.067(11) Uiso 1 1 d . . . . .
H15 H 0.761854 0.398550 0.307163 0.080 Uiso 1 1 calc R U . . .
C16 C 0.647(2) 0.3801(8) 0.326(2) 0.056(10) Uiso 1 1 d . . . . .
H16 H 0.609622 0.396812 0.296853 0.068 Uiso 1 1 calc R U . . .
C17 C 0.647(3) 0.2176(10) 0.449(3) 0.086(13) Uiso 1 1 d . . . . .
C18 C 0.643(4) 0.1964(15) 0.512(4) 0.17(3) Uiso 1 1 d . . . . .
H18A H 0.681686 0.178429 0.508469 0.257 Uiso 1 1 calc R U . . .
H18B H 0.581222 0.189214 0.503342 0.257 Uiso 1 1 calc R U . . .
H18C H 0.664313 0.206166 0.571129 0.257 Uiso 1 1 calc R U . . .
C19 C 0.763(4) 0.2230(15) 0.482(4) 0.18(3) Uiso 1 1 d . . . . .
H19A H 0.780136 0.232381 0.541500 0.272 Uiso 1 1 calc R U . . .
H19B H 0.780145 0.237040 0.439837 0.272 Uiso 1 1 calc R U . . .
H19C H 0.792575 0.202647 0.483084 0.272 Uiso 1 1 calc R U . . .
C20 C 0.659(5) 0.2080(17) 0.364(5) 0.21(3) Uiso 1 1 d . . . . .
H20A H 0.705791 0.191625 0.373843 0.319 Uiso 1 1 calc R U . . .
H20B H 0.678182 0.226132 0.335133 0.319 Uiso 1 1 calc R U . . .
H20C H 0.602856 0.199617 0.326699 0.319 Uiso 1 1 calc R U . . .
C21 C 0.278(2) 0.3789(9) 0.343(2) 0.068(11) Uiso 1 1 d . . . . .
H21 H 0.313159 0.395949 0.371618 0.082 Uiso 1 1 calc R U . . .
C22 C 0.181(2) 0.3785(9) 0.333(2) 0.066(11) Uiso 1 1 d . . . . .
H22 H 0.151920 0.394748 0.357230 0.079 Uiso 1 1 calc R U . . .
C23 C 0.134(3) 0.3539(9) 0.289(3) 0.081(12) Uiso 1 1 d . . . . .
H23 H 0.071259 0.353427 0.282287 0.097 Uiso 1 1 calc R U . . .
C24 C 0.171(2) 0.3299(8) 0.253(2) 0.059(10) Uiso 1 1 d . . . . .
H24 H 0.135160 0.313349 0.221158 0.071 Uiso 1 1 calc R U . . .
C25 C 0.264(2) 0.3310(8) 0.267(2) 0.049(9) Uiso 1 1 d . . . . .
C26 C 0.305(2) 0.3041(8) 0.237(2) 0.051(9) Uiso 1 1 d . . . . .
C27 C 0.281(2) 0.2738(7) 0.252(2) 0.051(9) Uiso 1 1 d . . . . .
H27 H 0.232111 0.271418 0.277761 0.062 Uiso 1 1 calc R U . . .
C28 C 0.321(2) 0.2466(9) 0.234(2) 0.067(11) Uiso 1 1 d . . . . .
N6 N 0.394(2) 0.2490(7) 0.205(2) 0.071(9) Uiso 1 1 d . . . . .
C30 C 0.425(2) 0.2784(8) 0.190(2) 0.053(9) Uiso 1 1 d . . . . .
C31 C 0.380(2) 0.3055(8) 0.200(2) 0.057(10) Uiso 1 1 d . . . . .
C32 C 0.511(2) 0.2816(8) 0.172(2) 0.055(10) Uiso 1 1 d . . . . .
C33 C 0.562(3) 0.2558(10) 0.164(3) 0.088(13) Uiso 1 1 d . . . . .
H33 H 0.538491 0.235046 0.161956 0.105 Uiso 1 1 calc R U . . .
C34 C 0.652(3) 0.2612(12) 0.159(3) 0.113(16) Uiso 1 1 d . . . . .
H34 H 0.691999 0.244233 0.157861 0.135 Uiso 1 1 calc R U . . .
C35 C 0.679(3) 0.2932(9) 0.154(3) 0.076(12) Uiso 1 1 d . . . . .
H35 H 0.740006 0.298140 0.159676 0.091 Uiso 1 1 calc R U . . .
C36 C 0.613(2) 0.3179(8) 0.142(2) 0.059(10) Uiso 1 1 d . . . . .
H36 H 0.624842 0.338025 0.121136 0.071 Uiso 1 1 calc R U . . .
C37 C 0.280(3) 0.2149(10) 0.240(3) 0.090(13) Uiso 1 1 d . . . . .
C38 C 0.219(5) 0.2110(17) 0.286(5) 0.20(3) Uiso 1 1 d . . . . .
H38A H 0.237574 0.223185 0.340795 0.299 Uiso 1 1 calc R U . . .
H38B H 0.215718 0.188691 0.299635 0.299 Uiso 1 1 calc R U . . .
H38C H 0.160691 0.218361 0.250039 0.299 Uiso 1 1 calc R U . . .
C39 C 0.279(4) 0.1980(13) 0.153(4) 0.14(2) Uiso 1 1 d . . . . .
H39A H 0.216979 0.197020 0.114832 0.212 Uiso 1 1 calc R U . . .
H39B H 0.302277 0.176630 0.165822 0.212 Uiso 1 1 calc R U . . .
H39C H 0.316233 0.209561 0.121689 0.212 Uiso 1 1 calc R U . . .
C40 C 0.358(4) 0.1925(15) 0.293(4) 0.17(3) Uiso 1 1 d . . . . .
H40A H 0.332155 0.172449 0.304526 0.259 Uiso 1 1 calc R U . . .
H40B H 0.388912 0.202507 0.349203 0.259 Uiso 1 1 calc R U . . .
H40C H 0.400608 0.188840 0.257495 0.259 Uiso 1 1 calc R U . . .
C41 C 0.421(2) 0.3801(8) 0.569(2) 0.050(9) Uiso 1 1 d . . . . .
C42 C 0.335(2) 0.4241(8) 0.623(2) 0.054(10) Uiso 1 1 d . . . . .
C43 C 0.403(3) 0.4488(10) 0.669(3) 0.097(14) Uiso 1 1 d . . . . .
H43A H 0.434691 0.457530 0.627058 0.116 Uiso 1 1 calc R U . . .
H43B H 0.448412 0.439173 0.719552 0.116 Uiso 1 1 calc R U . . .
C44 C 0.350(3) 0.4769(12) 0.705(3) 0.110(16) Uiso 1 1 d . . . . .
H44 H 0.390957 0.494183 0.734433 0.133 Uiso 1 1 calc R U . . .
C45 C 0.312(3) 0.4586(11) 0.773(3) 0.111(16) Uiso 1 1 d . . . . .
H45A H 0.361471 0.447672 0.815998 0.133 Uiso 1 1 calc R U . . .
H45B H 0.284781 0.473706 0.806858 0.133 Uiso 1 1 calc R U . . .
C46 C 0.242(3) 0.4350(12) 0.730(3) 0.112(16) Uiso 1 1 d . . . . .
H46 H 0.211756 0.425867 0.773281 0.134 Uiso 1 1 calc R U . . .
C47 C 0.293(3) 0.4094(11) 0.691(3) 0.106(16) Uiso 1 1 d . . . . .
H47A H 0.339745 0.399652 0.739901 0.127 Uiso 1 1 calc R U . . .
H47B H 0.249928 0.392675 0.662711 0.127 Uiso 1 1 calc R U . . .
C48 C 0.268(3) 0.4375(10) 0.548(3) 0.093(14) Uiso 1 1 d . . . . .
H48A H 0.225304 0.421056 0.517134 0.111 Uiso 1 1 calc R U . . .
H48B H 0.296773 0.446892 0.504286 0.111 Uiso 1 1 calc R U . . .
C49 C 0.217(3) 0.4636(12) 0.587(4) 0.120(17) Uiso 1 1 d . . . . .
H49 H 0.167870 0.473117 0.538072 0.144 Uiso 1 1 calc R U . . .
C50 C 0.178(3) 0.4496(9) 0.655(3) 0.081(12) Uiso 1 1 d . . . . .
H50A H 0.145653 0.466216 0.677650 0.097 Uiso 1 1 calc R U . . .
H50B H 0.133759 0.433499 0.625705 0.097 Uiso 1 1 calc R U . . .
C51 C 0.284(4) 0.4875(13) 0.626(4) 0.131(19) Uiso 1 1 d . . . . .
H51A H 0.316013 0.493610 0.580886 0.157 Uiso 1 1 calc R U . . .
H51B H 0.253458 0.506390 0.639895 0.157 Uiso 1 1 calc R U . . .
C52 C 0.589(3) 0.3740(9) 0.545(2) 0.068(11) Uiso 1 1 d . . . . .
C53 C 0.718(3) 0.4138(9) 0.608(3) 0.074(12) Uiso 1 1 d . . . . .
C54 C 0.676(5) 0.4356(17) 0.666(5) 0.10(2) Uiso 0.6 1 d . . P A 1
H54A H 0.618645 0.444968 0.630706 0.115 Uiso 0.6 1 calc R U P A 1
H54B H 0.664882 0.424160 0.717392 0.115 Uiso 0.6 1 calc R U P A 1
C55 C 0.794(8) 0.469(3) 0.708(8) 0.08(2) Uiso 0.4 1 d . . P A 2
H55A H 0.738518 0.476934 0.722205 0.100 Uiso 0.4 1 calc R U P A 2
H55B H 0.842186 0.484622 0.730088 0.100 Uiso 0.4 1 calc R U P A 2
C56 C 0.828(5) 0.429(2) 0.765(6) 0.06(3) Uiso 0.4 1 d D . P A 2
H56 H 0.846499 0.427281 0.831567 0.067 Uiso 0.4 1 calc R U P A 2
C58 C 0.796(5) 0.4004(17) 0.665(5) 0.09(2) Uiso 0.6 1 d . . P A 1
H58A H 0.826568 0.387508 0.629465 0.108 Uiso 0.6 1 calc R U P A 1
H58B H 0.777529 0.386313 0.707506 0.108 Uiso 0.6 1 calc R U P A 1
C57 C 0.904(6) 0.420(2) 0.708(6) 0.054(14) Uiso 0.4 1 d . . P A 2
H57A H 0.958463 0.432999 0.731525 0.065 Uiso 0.4 1 calc R U P A 2
H57B H 0.922412 0.397619 0.718863 0.065 Uiso 0.4 1 calc R U P A 2
C59 C 0.764(6) 0.4776(19) 0.624(6) 0.09(2) Uiso 0.6 1 d . . P A 1
H59A H 0.798526 0.496695 0.648430 0.114 Uiso 0.6 1 calc R U P A 1
H59B H 0.705724 0.484719 0.584710 0.114 Uiso 0.6 1 calc R U P A 1
C61 C 0.744(5) 0.4306(17) 0.529(5) 0.10(2) Uiso 0.6 1 d . . P A 1
H61A H 0.689009 0.438970 0.487173 0.118 Uiso 0.6 1 calc R U P A 1
H61B H 0.770932 0.415033 0.496403 0.118 Uiso 0.6 1 calc R U P A 1
C60 C 0.817(4) 0.4601(14) 0.563(4) 0.054(15) Uiso 0.6 1 d . . P A 1
H60 H 0.836193 0.472666 0.517516 0.065 Uiso 0.6 1 calc R U P A 1
C64 C 0.332(2) 0.3691(7) 0.123(2) 0.042(8) Uiso 1 1 d . . . . .
C65 C 0.200(2) 0.4088(8) 0.061(2) 0.058(10) Uiso 1 1 d . . . . .
C66 C 0.119(3) 0.3931(12) 0.003(4) 0.125(18) Uiso 1 1 d . . . . .
H66A H 0.093895 0.378090 0.037658 0.151 Uiso 1 1 calc R U . . .
H66B H 0.136371 0.381292 -0.045178 0.151 Uiso 1 1 calc R U . . .
C67 C 0.046(3) 0.4201(11) -0.040(3) 0.101(15) Uiso 1 1 d . . . . .
H67 H -0.009346 0.411265 -0.082570 0.121 Uiso 1 1 calc R U . . .
C68 C 0.027(3) 0.4353(11) 0.039(3) 0.099(15) Uiso 1 1 d . . . . .
H68A H -0.026020 0.449256 0.018113 0.119 Uiso 1 1 calc R U . . .
H68B H 0.010571 0.418752 0.076222 0.119 Uiso 1 1 calc R U . . .
C69 C 0.099(4) 0.4533(15) 0.092(4) 0.16(2) Uiso 1 1 d . . . . .
H69 H 0.081113 0.465217 0.140107 0.191 Uiso 1 1 calc R U . . .
C70 C 0.168(3) 0.4270(12) 0.129(3) 0.117(17) Uiso 1 1 d . . . . .
H70A H 0.221392 0.436686 0.170814 0.140 Uiso 1 1 calc R U . . .
H70B H 0.141893 0.412005 0.163356 0.140 Uiso 1 1 calc R U . . .
C71 C 0.096(3) 0.4425(12) -0.085(4) 0.121(18) Uiso 1 1 d . . . . .
H71A H 0.116217 0.430189 -0.129951 0.146 Uiso 1 1 calc R U . . .
H71B H 0.051843 0.458006 -0.118091 0.146 Uiso 1 1 calc R U . . .
C72 C 0.165(3) 0.4585(11) -0.040(3) 0.104(15) Uiso 1 1 d . . . . .
H72 H 0.188754 0.472980 -0.079573 0.125 Uiso 1 1 calc R U . . .
C73 C 0.239(3) 0.4333(9) 0.008(3) 0.085(13) Uiso 1 1 d . . . . .
H73A H 0.261975 0.422254 -0.037520 0.102 Uiso 1 1 calc R U . . .
H73B H 0.290010 0.444335 0.048531 0.102 Uiso 1 1 calc R U . . .
C74 C 0.149(3) 0.4749(11) 0.035(3) 0.100(15) Uiso 1 1 d . . . . .
H74A H 0.111148 0.493675 0.013339 0.120 Uiso 1 1 calc R U . . .
H74B H 0.206471 0.482285 0.074214 0.120 Uiso 1 1 calc R U . . .
C75 C 0.496(2) 0.3764(8) 0.095(2) 0.049(9) Uiso 1 1 d . . . . .
C76 C 0.581(2) 0.4193(8) 0.035(2) 0.062(10) Uiso 1 1 d . . . . .
C77 C 0.515(3) 0.4416(9) -0.020(3) 0.084(13) Uiso 1 1 d . . . . .
H77A H 0.480585 0.452011 0.016467 0.101 Uiso 1 1 calc R U . . .
H77B H 0.472814 0.430173 -0.069237 0.101 Uiso 1 1 calc R U . . .
C78 C 0.570(3) 0.4670(10) -0.060(3) 0.092(14) Uiso 1 1 d . . . . .
H78 H 0.527570 0.482796 -0.095494 0.111 Uiso 1 1 calc R U . . .
C79 C 0.618(3) 0.4521(10) -0.114(3) 0.089(13) Uiso 1 1 d . . . . .
H79A H 0.649981 0.468175 -0.139712 0.107 Uiso 1 1 calc R U . . .
H79B H 0.575145 0.441154 -0.163653 0.107 Uiso 1 1 calc R U . . .
C80 C 0.682(3) 0.4295(9) -0.064(3) 0.082(12) Uiso 1 1 d . . . . .
H80 H 0.713683 0.419763 -0.105645 0.098 Uiso 1 1 calc R U . . .
C81 C 0.629(2) 0.4023(8) -0.029(2) 0.064(11) Uiso 1 1 d . . . . .
H81A H 0.584324 0.392239 -0.078995 0.077 Uiso 1 1 calc R U . . .
H81B H 0.670831 0.385954 0.003418 0.077 Uiso 1 1 calc R U . . .
C82 C 0.755(3) 0.4436(9) 0.015(3) 0.078(12) Uiso 1 1 d . . . . .
H82A H 0.792779 0.426861 0.049778 0.094 Uiso 1 1 calc R U . . .
H82B H 0.793422 0.458626 -0.006349 0.094 Uiso 1 1 calc R U . . .
C83 C 0.702(2) 0.4601(9) 0.069(3) 0.071(11) Uiso 1 1 d . . . . .
H83 H 0.745086 0.471889 0.117707 0.086 Uiso 1 1 calc R U . . .
C84 C 0.654(2) 0.4352(8) 0.112(2) 0.065(11) Uiso 1 1 d . . . . .
H84A H 0.624705 0.445407 0.154587 0.078 Uiso 1 1 calc R U . . .
H84B H 0.697068 0.419385 0.145013 0.078 Uiso 1 1 calc R U . . .
C85 C 0.634(3) 0.4831(9) 0.017(3) 0.076(12) Uiso 1 1 d . . . . .
H85A H 0.600500 0.492611 0.056000 0.091 Uiso 1 1 calc R U . . .
H85B H 0.665557 0.500202 -0.005844 0.091 Uiso 1 1 calc R U . . .
S1 S 0.8678(7) 0.3594(3) 0.1598(7) 0.078(3) Uiso 1 1 d . . . . .
F1 F 0.832(2) 0.3192(8) 0.030(2) 0.145(11) Uiso 1 1 d . . . . .
F2 F 0.963(2) 0.3385(8) 0.057(2) 0.163(12) Uiso 1 1 d . . . . .
F3 F 0.8521(18) 0.3664(7) -0.008(2) 0.125(9) Uiso 1 1 d . . . . .
O2 O 0.7712(18) 0.3634(6) 0.1409(18) 0.093(9) Uiso 1 1 d . . . . .
O3 O 0.916(2) 0.3881(9) 0.169(2) 0.138(12) Uiso 1 1 d . . . . .
C100 C 0.875(3) 0.3457(11) 0.054(3) 0.086(13) Uiso 1 1 d . . . . .
Cl1 Cl 0.466(3) 0.2365(11) -0.041(3) 0.217(17) Uiso 0.5 1 d . U P B 2
Cl11 Cl 0.557(2) 0.2355(7) -0.157(2) 0.135(10) Uiso 0.5 1 d . . P B 2
Cl3 Cl 0.484(2) 0.2365(9) -0.273(3) 0.174(13) Uiso 0.5 1 d . . P B 1
Cl5 Cl 0.3555(19) 0.2368(7) -0.209(2) 0.121(9) Uiso 0.5 1 d . U P B 2
Cl6 Cl 0.384(3) 0.2348(9) -0.133(3) 0.180(14) Uiso 0.5 1 d . U P B 1
C86 C 0.461(3) 0.2227(12) -0.178(3) 0.119(17) Uiso 1 1 d . . . . .
H86A H 0.461139 0.199306 -0.183207 0.143 Uiso 0.5 1 calc R U P B 2
H86 H 0.472603 0.199643 -0.169218 0.143 Uiso 0.5 1 calc R U P B 1
S2 S 0.0580(10) 0.3580(4) 0.5163(11) 0.122(5) Uiso 1 1 d . . . . .
F4 F 0.101(3) 0.3222(12) 0.652(3) 0.222(19) Uiso 1 1 d . . . . .
F5 F 0.073(3) 0.3684(9) 0.682(3) 0.187(15) Uiso 1 1 d . . . . .
F6 F -0.037(4) 0.3409(11) 0.613(3) 0.236(19) Uiso 1 1 d . . . . .
O4 O 0.028(2) 0.3300(9) 0.462(3) 0.145(13) Uiso 1 1 d . . . . .
O5 O 0.001(3) 0.3860(11) 0.489(3) 0.187(17) Uiso 1 1 d . . . . .
O6 O 0.157(2) 0.3637(8) 0.535(2) 0.125(11) Uiso 1 1 d . . . . .
C200 C 0.053(6) 0.344(2) 0.614(6) 0.18(3) Uiso 1 1 d . . . . .
Cl10 Cl 0.534(3) 0.3183(13) 0.910(3) 0.26(2) Uiso 0.5 1 d D . P C 2
Cl14 Cl 0.384(3) 0.3461(8) 0.877(3) 0.170(14) Uiso 0.5 1 d D . P C 2
Cl9 Cl 0.490(4) 0.3357(15) 0.745(4) 0.25(4) Uiso 0.5 1 d D . P C 2
C88 C 0.433(2) 0.3172(10) 0.8178(17) 0.19(3) Uiso 1 1 d D . . . .
H88A H 0.401824 0.296717 0.800191 0.224 Uiso 0.5 1 calc R U P C 2
H88 H 0.452947 0.294726 0.823524 0.224 Uiso 0.5 1 calc R U P C 1
C61B C 0.798(4) 0.4017(16) 0.573(5) 0.033(19) Uiso 0.4 1 d . . P A 2
H61C H 0.814977 0.380045 0.593920 0.039 Uiso 0.4 1 calc R U P A 2
H61D H 0.781849 0.402117 0.507328 0.039 Uiso 0.4 1 calc R U P A 2
C58B C 0.746(5) 0.409(2) 0.713(6) 0.07(3) Uiso 0.4 1 d D . P A 2
H58C H 0.693856 0.415082 0.735060 0.081 Uiso 0.4 1 calc R U P A 2
H58D H 0.758657 0.386773 0.726101 0.081 Uiso 0.4 1 calc R U P A 2
C54B C 0.692(6) 0.444(2) 0.592(7) 0.08(3) Uiso 0.4 1 d . . P A 2
H54C H 0.654824 0.450906 0.631189 0.090 Uiso 0.4 1 calc R U P A 2
H54D H 0.655806 0.446753 0.529155 0.090 Uiso 0.4 1 calc R U P A 2
Cl7 Cl -0.120(2) 0.4523(9) 0.334(3) 0.178(14) Uiso 0.5 1 d D . P . .
Cl8 Cl 0.0849(14) 0.4556(5) 0.3305(14) 0.084(6) Uiso 0.5 1 d D . P . .
Cl4 Cl -0.0658(17) 0.4808(6) 0.2219(17) 0.113(8) Uiso 0.5 1 d D . P . .
C63 C -0.0298(17) 0.4463(10) 0.287(3) 0.13(4) Uiso 0.5 1 d D . P . .
H63 H -0.038355 0.426855 0.249154 0.153 Uiso 0.5 1 calc R U P . .
O1 O 0.903(2) 0.3351(8) 0.219(2) 0.119(11) Uiso 1 1 d . . . . .
C62 C 0.859(6) 0.424(2) 0.715(6) 0.105(19) Uiso 0.6 1 d . . P A 1
H62 H 0.907962 0.413701 0.761871 0.127 Uiso 0.6 1 calc R U P A 1
Cl2 Cl 0.553(4) 0.2484(14) -0.091(4) 0.26(2) Uiso 0.5 1 d . . P B 1
Cl13 Cl 0.329(2) 0.3227(7) 0.734(2) 0.146(11) Uiso 0.5 1 d D . P C 1
Cl12 Cl 0.439(3) 0.3346(8) 0.9216(19) 0.151(12) Uiso 0.5 1 d D . P C 1
Cl15 Cl 0.512(3) 0.3429(10) 0.779(3) 0.164(17) Uiso 0.5 1 d D . P C 1
C8 C 0.4305(18) 0.4611(6) 0.3743(17) 0.23(2) Uiso 1 1 d D U . . .
F7 F 0.462(2) 0.4903(7) 0.381(2) 0.209(16) Uiso 1 1 d D U . . .
F10 F 0.476(3) 0.4405(10) 0.434(2) 0.34(3) Uiso 1 1 d D U . . .
F11 F 0.3413(18) 0.4586(8) 0.349(2) 0.191(14) Uiso 1 1 d D U . . .
S6 S 0.4598(11) 0.4465(4) 0.2758(12) 0.154(6) Uiso 1 1 d D U . . .
O8 O 0.411(3) 0.4672(9) 0.207(2) 0.30(3) Uiso 1 1 d D U . . .
O10 O 0.5562(14) 0.4520(9) 0.299(2) 0.191(18) Uiso 1 1 d D U . . .
O11 O 0.4338(18) 0.4141(5) 0.2724(19) 0.117(10) Uiso 1 1 d D U . . .
C57A C 0.822(4) 0.4491(17) 0.753(4) 0.054(14) Uiso 0.6 1 d . . P A 1
H57C H 0.846595 0.456966 0.811610 0.065 Uiso 0.6 1 calc R U P A 1
C55A C 0.747(5) 0.4601(18) 0.695(5) 0.08(2) Uiso 0.6 1 d . . P A 1
H55C H 0.721627 0.475714 0.730036 0.100 Uiso 0.6 1 calc R U P A 1
C59A C 0.777(10) 0.464(3) 0.609(9) 0.09(2) Uiso 0.4 1 d . . P A 2
H59C H 0.762798 0.484746 0.577415 0.114 Uiso 0.4 1 calc R U P A 2
C60A C 0.852(7) 0.452(2) 0.594(7) 0.054(15) Uiso 0.4 1 d . . P A 2
H60A H 0.889657 0.464732 0.569274 0.065 Uiso 0.4 1 calc R U P A 2
C62A C 0.872(9) 0.425(3) 0.613(9) 0.105(19) Uiso 0.4 1 d . . P A 2
H62A H 0.923500 0.419829 0.587020 0.127 Uiso 0.4 1 calc R U P A 2
C62B C 0.899(6) 0.438(2) 0.640(6) 0.105(19) Uiso 0.6 1 d . . P A 1
H62B H 0.919251 0.420351 0.608175 0.127 Uiso 0.6 1 calc R U P A 1
H62C H 0.951365 0.451355 0.666411 0.127 Uiso 0.6 1 calc R U P A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Ag1 2.867(3) . ?
Pt1 N1 2.04(3) . ?
Pt1 C11 1.98(3) . ?
Pt1 C41 2.05(3) . ?
Pt1 C52 1.93(4) . ?
Pt2 Ag1 2.852(3) . ?
Pt2 N4 1.99(3) . ?
Pt2 C31 2.07(3) . ?
Pt2 C64 1.88(3) . ?
Pt2 C75 2.01(3) . ?
Ag1 N2 2.21(2) . ?
Ag1 N3 2.16(3) . ?
Ag1 O11 2.60(2) . ?
N1 C1 1.42(4) . ?
N1 C5 1.39(4) . ?
N2 C12 1.28(4) . ?
N2 C16 1.31(4) . ?
N3 C21 1.39(4) . ?
N3 C25 1.33(4) . ?
N4 C32 1.32(4) . ?
N4 C36 1.42(4) . ?
N7 C41 1.12(3) . ?
N7 C42 1.43(4) . ?
N8 C52 1.13(4) . ?
N8 C53 1.48(5) . ?
N9 C64 1.16(3) . ?
N9 C65 1.47(4) . ?
N10 C75 1.13(3) . ?
N10 C76 1.44(4) . ?
C1 H1 0.9500 . ?
C1 C2 1.34(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.31(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.29(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.40(5) . ?
C5 C6 1.50(5) . ?
C6 N5 1.34(4) . ?
C6 C11 1.30(4) . ?
N5 C90 1.42(4) . ?
C90 C9 1.37(4) . ?
C90 C17 1.51(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.34(4) . ?
C10 C11 1.49(4) . ?
C10 C12 1.50(5) . ?
C12 C13 1.40(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.41(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.32(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.39(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.34(6) . ?
C17 C19 1.74(7) . ?
C17 C20 1.45(7) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21 0.9500 . ?
C21 C22 1.47(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.35(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.36(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.40(4) . ?
C25 C26 1.44(4) . ?
C26 C27 1.38(4) . ?
C26 C31 1.43(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.38(4) . ?
C28 N6 1.32(4) . ?
C28 C37 1.50(5) . ?
N6 C30 1.38(4) . ?
C30 C31 1.38(4) . ?
C30 C32 1.43(4) . ?
C32 C33 1.38(5) . ?
C33 H33 0.9500 . ?
C33 C34 1.43(5) . ?
C34 H34 0.9500 . ?
C34 C35 1.43(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.43(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.33(7) . ?
C37 C39 1.53(6) . ?
C37 C40 1.58(7) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C42 C43 1.52(5) . ?
C42 C47 1.53(5) . ?
C42 C48 1.47(5) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 C44 1.64(6) . ?
C44 H44 1.0000 . ?
C44 C45 1.55(6) . ?
C44 C51 1.45(6) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.49(6) . ?
C46 H46 1.0000 . ?
C46 C47 1.55(6) . ?
C46 C50 1.46(5) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C49 1.58(6) . ?
C49 H49 1.0000 . ?
C49 C50 1.47(6) . ?
C49 C51 1.47(6) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C53 C54 1.56(8) . ?
C53 C58 1.40(7) . ?
C53 C61 1.57(8) . ?
C53 C61B 1.55(7) . ?
C53 C58B 1.59(9) . ?
C53 C54B 1.37(9) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 C55A 1.50(9) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.94(14) . ?
C55 C59A 1.52(18) . ?
C56 H56 1.0000 . ?
C56 C57 1.70(13) . ?
C56 C58B 1.54(2) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C58 C62 1.48(10) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C62A 1.45(16) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C59 C60 1.59(10) . ?
C59 C55A 1.43(11) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C60 1.67(9) . ?
C60 H60 1.0000 . ?
C60 C62B 1.76(11) . ?
C65 C66 1.49(5) . ?
C65 C70 1.50(5) . ?
C65 C73 1.55(5) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C66 C67 1.63(6) . ?
C67 H67 1.0000 . ?
C67 C68 1.49(6) . ?
C67 C71 1.52(6) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C68 C69 1.42(6) . ?
C69 H69 1.0000 . ?
C69 C70 1.55(7) . ?
C69 C74 1.62(7) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C71 C72 1.30(6) . ?
C72 H72 1.0000 . ?
C72 C73 1.60(6) . ?
C72 C74 1.45(6) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C76 C77 1.49(5) . ?
C76 C81 1.56(5) . ?
C76 C84 1.57(5) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C77 C78 1.59(5) . ?
C78 H78 1.0000 . ?
C78 C79 1.42(5) . ?
C78 C85 1.50(5) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C79 C80 1.45(5) . ?
C80 H80 1.0000 . ?
C80 C81 1.60(5) . ?
C80 C82 1.55(5) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C82 C83 1.50(5) . ?
C83 H83 1.0000 . ?
C83 C84 1.55(5) . ?
C83 C85 1.51(5) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
S1 O2 1.45(3) . ?
S1 O3 1.42(4) . ?
S1 C100 1.79(4) . ?
S1 O1 1.39(3) . ?
F1 C100 1.31(4) . ?
F2 C100 1.38(5) . ?
F3 C100 1.28(4) . ?
Cl1 C86 2.20(7) . ?
Cl11 C86 1.52(5) . ?
Cl3 C86 1.72(6) . ?
Cl5 C86 1.68(6) . ?
Cl6 C86 1.62(6) . ?
C86 H86A 1.0000 . ?
C86 H86 1.0000 . ?
C86 Cl2 2.00(8) . ?
S2 O4 1.47(4) . ?
S2 O5 1.48(5) . ?
S2 O6 1.50(3) . ?
S2 C200 1.67(8) . ?
F4 C200 1.22(8) . ?
F5 C200 1.46(8) . ?
F6 C200 1.40(8) . ?
Cl10 C88 1.81(2) . ?
Cl14 C88 1.82(2) . ?
Cl9 C88 1.798(17) . ?
C88 H88A 1.0000 . ?
C88 H88 1.0000 . ?
C88 Cl13 1.80(2) . ?
C88 Cl12 1.76(2) . ?
C88 Cl15 1.86(2) . ?
C61B H61C 0.9900 . ?
C61B H61D 0.9900 . ?
C61B C62A 1.52(14) . ?
C58B H58C 0.9900 . ?
C58B H58D 0.9900 . ?
C54B H54C 0.9900 . ?
C54B H54D 0.9900 . ?
C54B C59A 1.52(15) . ?
Cl7 Cl4 2.46(5) . ?
Cl7 C63 1.77(2) . ?
Cl8 C63 1.77(2) . ?
Cl4 C63 1.79(2) . ?
C63 H63 1.0000 . ?
C62 H62 1.0000 . ?
C62 C57A 1.41(11) . ?
C62 C62B 1.58(13) . ?
C8 F7 1.328(14) . ?
C8 F10 1.330(15) . ?
C8 F11 1.333(15) . ?
C8 S6 1.826(18) . ?
S6 O8 1.442(14) . ?
S6 O10 1.455(14) . ?
S6 O11 1.432(14) . ?
C57A H57C 0.9500 . ?
C57A C55A 1.35(9) . ?
C55A H55C 1.0000 . ?
C59A H59C 1.0000 . ?
C59A C60A 1.35(16) . ?
C60A H60A 0.9500 . ?
C60A C62A 1.20(15) . ?
C62A H62A 1.0000 . ?
C62B H62B 0.9900 . ?
C62B H62C 0.9900 . ?

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
N1 Pt1 Ag1 96.6(8) . . ?
N1 Pt1 C41 94.5(12) . . ?
C11 Pt1 Ag1 73.2(8) . . ?
C11 Pt1 N1 79.9(11) . . ?
C11 Pt1 C41 174.1(12) . . ?
C41 Pt1 Ag1 109.6(9) . . ?
C52 Pt1 Ag1 90.6(11) . . ?
C52 Pt1 N1 171.6(13) . . ?
C52 Pt1 C11 98.3(13) . . ?
C52 Pt1 C41 87.0(14) . . ?
N4 Pt2 Ag1 96.9(8) . . ?
N4 Pt2 C31 78.8(12) . . ?
N4 Pt2 C75 95.5(12) . . ?
C31 Pt2 Ag1 74.1(9) . . ?
C64 Pt2 Ag1 88.6(9) . . ?
C64 Pt2 N4 172.2(12) . . ?
C64 Pt2 C31 97.4(13) . . ?
C64 Pt2 C75 88.1(13) . . ?
C75 Pt2 Ag1 108.0(9) . . ?
C75 Pt2 C31 174.2(13) . . ?
Pt2 Ag1 Pt1 158.99(11) . . ?
N2 Ag1 Pt1 87.9(6) . . ?
N2 Ag1 Pt2 92.6(6) . . ?
N2 Ag1 O11 97.4(8) . . ?
N3 Ag1 Pt1 90.7(7) . . ?
N3 Ag1 Pt2 87.5(7) . . ?
N3 Ag1 N2 176.5(9) . . ?
N3 Ag1 O11 86.1(9) . . ?
O11 Ag1 Pt1 118.2(6) . . ?
O11 Ag1 Pt2 82.5(6) . . ?
C1 N1 Pt1 124(2) . . ?
C5 N1 Pt1 115(2) . . ?
C5 N1 C1 121(3) . . ?
C12 N2 Ag1 123(2) . . ?
C12 N2 C16 118(3) . . ?
C16 N2 Ag1 118(2) . . ?
C21 N3 Ag1 116(2) . . ?
C25 N3 Ag1 126(2) . . ?
C25 N3 C21 118(3) . . ?
C32 N4 Pt2 118(2) . . ?
C32 N4 C36 118(3) . . ?
C36 N4 Pt2 123(2) . . ?
C41 N7 C42 179(4) . . ?
C52 N8 C53 168(4) . . ?
C64 N9 C65 175(3) . . ?
C75 N10 C76 176(3) . . ?
N1 C1 H1 125.4 . . ?
C2 C1 N1 109(3) . . ?
C2 C1 H1 125.4 . . ?
C1 C2 H2 113.8 . . ?
C3 C2 C1 132(4) . . ?
C3 C2 H2 113.8 . . ?
C2 C3 H3 121.3 . . ?
C4 C3 C2 117(4) . . ?
C4 C3 H3 121.3 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119(4) . . ?
C5 C4 H4 120.3 . . ?
N1 C5 C4 120(4) . . ?
N1 C5 C6 107(3) . . ?
C4 C5 C6 132(4) . . ?
N5 C6 C5 108(3) . . ?
C11 C6 C5 120(3) . . ?
C11 C6 N5 132(3) . . ?
C6 N5 C90 115(3) . . ?
N5 C90 C17 114(3) . . ?
C9 C90 N5 117(3) . . ?
C9 C90 C17 128(3) . . ?
C90 C9 H9 118.7 . . ?
C10 C9 C90 123(4) . . ?
C10 C9 H9 118.7 . . ?
C9 C10 C11 119(3) . . ?
C9 C10 C12 120(3) . . ?
C11 C10 C12 120(3) . . ?
C6 C11 Pt1 113(2) . . ?
C6 C11 C10 112(3) . . ?
C10 C11 Pt1 135(2) . . ?
N2 C12 C10 121(3) . . ?
N2 C12 C13 122(3) . . ?
C13 C12 C10 117(3) . . ?
C12 C13 H13 120.5 . . ?
C12 C13 C14 119(4) . . ?
C14 C13 H13 120.5 . . ?
C13 C14 H14 121.6 . . ?
C15 C14 C13 117(4) . . ?
C15 C14 H14 121.6 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120(4) . . ?
C16 C15 H15 120.0 . . ?
N2 C16 C15 124(3) . . ?
N2 C16 H16 118.2 . . ?
C15 C16 H16 118.2 . . ?
C90 C17 C19 103(4) . . ?
C18 C17 C90 125(5) . . ?
C18 C17 C19 97(4) . . ?
C18 C17 C20 121(5) . . ?
C20 C17 C90 111(5) . . ?
C20 C17 C19 86(4) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N3 C21 H21 120.2 . . ?
N3 C21 C22 120(3) . . ?
C22 C21 H21 120.2 . . ?
C21 C22 H22 121.7 . . ?
C23 C22 C21 117(4) . . ?
C23 C22 H22 121.7 . . ?
C22 C23 H23 117.6 . . ?
C22 C23 C24 125(4) . . ?
C24 C23 H23 117.6 . . ?
C23 C24 H24 122.0 . . ?
C23 C24 C25 116(3) . . ?
C25 C24 H24 122.0 . . ?
N3 C25 C24 125(3) . . ?
N3 C25 C26 118(3) . . ?
C24 C25 C26 117(3) . . ?
C27 C26 C25 122(3) . . ?
C27 C26 C31 113(3) . . ?
C31 C26 C25 125(3) . . ?
C26 C27 H27 116.9 . . ?
C26 C27 C28 126(3) . . ?
C28 C27 H27 116.9 . . ?
C27 C28 C37 121(3) . . ?
N6 C28 C27 119(3) . . ?
N6 C28 C37 120(4) . . ?
C28 N6 C30 120(3) . . ?
N6 C30 C31 122(3) . . ?
N6 C30 C32 120(3) . . ?
C31 C30 C32 118(3) . . ?
C26 C31 Pt2 131(3) . . ?
C30 C31 Pt2 109(2) . . ?
C30 C31 C26 120(3) . . ?
N4 C32 C30 112(3) . . ?
N4 C32 C33 126(3) . . ?
C33 C32 C30 122(3) . . ?
C32 C33 H33 121.0 . . ?
C32 C33 C34 118(4) . . ?
C34 C33 H33 121.0 . . ?
C33 C34 H34 121.6 . . ?
C35 C34 C33 117(4) . . ?
C35 C34 H34 121.6 . . ?
C34 C35 H35 120.0 . . ?
C34 C35 C36 120(4) . . ?
C36 C35 H35 120.0 . . ?
N4 C36 C35 118(3) . . ?
N4 C36 H36 121.0 . . ?
C35 C36 H36 121.0 . . ?
C28 C37 C39 106(4) . . ?
C28 C37 C40 107(4) . . ?
C38 C37 C28 121(5) . . ?
C38 C37 C39 125(5) . . ?
C38 C37 C40 101(5) . . ?
C39 C37 C40 91(4) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
N7 C41 Pt1 176(3) . . ?
N7 C42 C43 109(3) . . ?
N7 C42 C47 107(3) . . ?
N7 C42 C48 109(3) . . ?
C43 C42 C47 109(3) . . ?
C48 C42 C43 111(3) . . ?
C48 C42 C47 112(3) . . ?
C42 C43 H43A 110.0 . . ?
C42 C43 H43B 110.0 . . ?
C42 C43 C44 109(3) . . ?
H43A C43 H43B 108.3 . . ?
C44 C43 H43A 110.0 . . ?
C44 C43 H43B 110.0 . . ?
C43 C44 H44 111.9 . . ?
C45 C44 C43 101(4) . . ?
C45 C44 H44 111.9 . . ?
C51 C44 C43 103(4) . . ?
C51 C44 H44 111.9 . . ?
C51 C44 C45 116(4) . . ?
C44 C45 H45A 109.0 . . ?
C44 C45 H45B 109.0 . . ?
H45A C45 H45B 107.8 . . ?
C46 C45 C44 113(4) . . ?
C46 C45 H45A 109.0 . . ?
C46 C45 H45B 109.0 . . ?
C45 C46 H46 111.6 . . ?
C45 C46 C47 106(4) . . ?
C47 C46 H46 111.6 . . ?
C50 C46 C45 109(4) . . ?
C50 C46 H46 111.6 . . ?
C50 C46 C47 107(4) . . ?
C42 C47 C46 110(4) . . ?
C42 C47 H47A 109.7 . . ?
C42 C47 H47B 109.7 . . ?
C46 C47 H47A 109.7 . . ?
C46 C47 H47B 109.7 . . ?
H47A C47 H47B 108.2 . . ?
C42 C48 H48A 110.4 . . ?
C42 C48 H48B 110.4 . . ?
C42 C48 C49 107(4) . . ?
H48A C48 H48B 108.6 . . ?
C49 C48 H48A 110.4 . . ?
C49 C48 H48B 110.4 . . ?
C48 C49 H49 110.1 . . ?
C50 C49 C48 110(4) . . ?
C50 C49 H49 110.1 . . ?
C51 C49 C48 106(4) . . ?
C51 C49 H49 110.1 . . ?
C51 C49 C50 111(5) . . ?
C46 C50 C49 116(4) . . ?
C46 C50 H50A 108.3 . . ?
C46 C50 H50B 108.3 . . ?
C49 C50 H50A 108.3 . . ?
C49 C50 H50B 108.3 . . ?
H50A C50 H50B 107.4 . . ?
C44 C51 C49 113(5) . . ?
C44 C51 H51A 108.9 . . ?
C44 C51 H51B 108.9 . . ?
C49 C51 H51A 108.9 . . ?
C49 C51 H51B 108.9 . . ?
H51A C51 H51B 107.7 . . ?
N8 C52 Pt1 177(3) . . ?
N8 C53 C54 106(4) . . ?
N8 C53 C61 105(4) . . ?
N8 C53 C61B 100(4) . . ?
N8 C53 C58B 111(4) . . ?
C54 C53 C61 115(5) . . ?
C58 C53 N8 115(4) . . ?
C58 C53 C54 107(5) . . ?
C58 C53 C61 109(5) . . ?
C61B C53 C58B 108(5) . . ?
C54B C53 N8 113(5) . . ?
C54B C53 C61B 118(6) . . ?
C54B C53 C58B 107(6) . . ?
C53 C54 H54A 111.5 . . ?
C53 C54 H54B 111.5 . . ?
H54A C54 H54B 109.3 . . ?
C55A C54 C53 102(5) . . ?
C55A C54 H54A 111.5 . . ?
C55A C54 H54B 111.5 . . ?
H55A C55 H55B 108.5 . . ?
C56 C55 H55A 110.3 . . ?
C56 C55 H55B 110.3 . . ?
C59A C55 H55A 110.3 . . ?
C59A C55 H55B 110.3 . . ?
C59A C55 C56 107(8) . . ?
C55 C56 H56 119.2 . . ?
C57 C56 C55 95(7) . . ?
C57 C56 H56 119.2 . . ?
C58B C56 C55 98(6) . . ?
C58B C56 H56 119.2 . . ?
C58B C56 C57 101(7) . . ?
C53 C58 H58A 109.0 . . ?
C53 C58 H58B 109.0 . . ?
C53 C58 C62 113(6) . . ?
H58A C58 H58B 107.8 . . ?
C62 C58 H58A 109.0 . . ?
C62 C58 H58B 109.0 . . ?
C56 C57 H57A 108.6 . . ?
C56 C57 H57B 108.6 . . ?
H57A C57 H57B 107.6 . . ?
C62A C57 C56 114(8) . . ?
C62A C57 H57A 108.6 . . ?
C62A C57 H57B 108.6 . . ?
H59A C59 H59B 107.3 . . ?
C60 C59 H59A 108.0 . . ?
C60 C59 H59B 108.0 . . ?
C55A C59 H59A 108.0 . . ?
C55A C59 H59B 108.0 . . ?
C55A C59 C60 117(6) . . ?
C53 C61 H61A 109.1 . . ?
C53 C61 H61B 109.1 . . ?
C53 C61 C60 112(5) . . ?
H61A C61 H61B 107.9 . . ?
C60 C61 H61A 109.1 . . ?
C60 C61 H61B 109.1 . . ?
C59 C60 C61 98(6) . . ?
C59 C60 H60 118.2 . . ?
C59 C60 C62B 104(6) . . ?
C61 C60 H60 118.2 . . ?
C61 C60 C62B 97(5) . . ?
C62B C60 H60 118.2 . . ?
N9 C64 Pt2 171(3) . . ?
N9 C65 C66 111(3) . . ?
N9 C65 C70 115(3) . . ?
N9 C65 C73 107(3) . . ?
C66 C65 C70 107(4) . . ?
C66 C65 C73 111(3) . . ?
C70 C65 C73 106(3) . . ?
C65 C66 H66A 110.1 . . ?
C65 C66 H66B 110.1 . . ?
C65 C66 C67 108(4) . . ?
H66A C66 H66B 108.4 . . ?
C67 C66 H66A 110.1 . . ?
C67 C66 H66B 110.1 . . ?
C66 C67 H67 112.7 . . ?
C68 C67 C66 104(4) . . ?
C68 C67 H67 112.7 . . ?
C68 C67 C71 110(4) . . ?
C71 C67 C66 104(4) . . ?
C71 C67 H67 112.7 . . ?
C67 C68 H68A 108.5 . . ?
C67 C68 H68B 108.5 . . ?
H68A C68 H68B 107.5 . . ?
C69 C68 C67 115(5) . . ?
C69 C68 H68A 108.5 . . ?
C69 C68 H68B 108.5 . . ?
C68 C69 H69 112.9 . . ?
C68 C69 C70 101(5) . . ?
C68 C69 C74 113(5) . . ?
C70 C69 H69 112.9 . . ?
C70 C69 C74 103(5) . . ?
C74 C69 H69 112.9 . . ?
C65 C70 C69 116(4) . . ?
C65 C70 H70A 108.4 . . ?
C65 C70 H70B 108.4 . . ?
C69 C70 H70A 108.4 . . ?
C69 C70 H70B 108.4 . . ?
H70A C70 H70B 107.4 . . ?
C67 C71 H71A 106.8 . . ?
C67 C71 H71B 106.8 . . ?
H71A C71 H71B 106.6 . . ?
C72 C71 C67 122(5) . . ?
C72 C71 H71A 106.8 . . ?
C72 C71 H71B 106.8 . . ?
C71 C72 H72 111.9 . . ?
C71 C72 C73 106(4) . . ?
C71 C72 C74 113(5) . . ?
C73 C72 H72 111.9 . . ?
C74 C72 H72 111.9 . . ?
C74 C72 C73 102(4) . . ?
C65 C73 C72 112(3) . . ?
C65 C73 H73A 109.2 . . ?
C65 C73 H73B 109.2 . . ?
C72 C73 H73A 109.2 . . ?
C72 C73 H73B 109.2 . . ?
H73A C73 H73B 107.9 . . ?
C69 C74 H74A 109.0 . . ?
C69 C74 H74B 109.0 . . ?
C72 C74 C69 113(4) . . ?
C72 C74 H74A 109.0 . . ?
C72 C74 H74B 109.0 . . ?
H74A C74 H74B 107.8 . . ?
N10 C75 Pt2 175(3) . . ?
N10 C76 C77 109(3) . . ?
N10 C76 C81 107(3) . . ?
N10 C76 C84 109(3) . . ?
C77 C76 C81 107(3) . . ?
C77 C76 C84 114(3) . . ?
C81 C76 C84 109(3) . . ?
C76 C77 H77A 110.2 . . ?
C76 C77 H77B 110.2 . . ?
C76 C77 C78 107(3) . . ?
H77A C77 H77B 108.5 . . ?
C78 C77 H77A 110.2 . . ?
C78 C77 H77B 110.2 . . ?
C77 C78 H78 109.5 . . ?
C79 C78 C77 110(4) . . ?
C79 C78 H78 109.5 . . ?
C79 C78 C85 110(4) . . ?
C85 C78 C77 108(4) . . ?
C85 C78 H78 109.5 . . ?
C78 C79 H79A 109.3 . . ?
C78 C79 H79B 109.3 . . ?
C78 C79 C80 111(4) . . ?
H79A C79 H79B 108.0 . . ?
C80 C79 H79A 109.3 . . ?
C80 C79 H79B 109.3 . . ?
C79 C80 H80 107.8 . . ?
C79 C80 C81 109(3) . . ?
C79 C80 C82 115(4) . . ?
C81 C80 H80 107.8 . . ?
C82 C80 H80 107.8 . . ?
C82 C80 C81 110(3) . . ?
C76 C81 C80 105(3) . . ?
C76 C81 H81A 110.8 . . ?
C76 C81 H81B 110.8 . . ?
C80 C81 H81A 110.8 . . ?
C80 C81 H81B 110.8 . . ?
H81A C81 H81B 108.9 . . ?
C80 C82 H82A 110.9 . . ?
C80 C82 H82B 110.9 . . ?
H82A C82 H82B 108.9 . . ?
C83 C82 C80 104(3) . . ?
C83 C82 H82A 110.9 . . ?
C83 C82 H82B 110.9 . . ?
C82 C83 H83 108.2 . . ?
C82 C83 C84 109(3) . . ?
C82 C83 C85 114(3) . . ?
C84 C83 H83 108.2 . . ?
C85 C83 H83 108.2 . . ?
C85 C83 C84 109(3) . . ?
C76 C84 H84A 110.4 . . ?
C76 C84 H84B 110.4 . . ?
C83 C84 C76 106(3) . . ?
C83 C84 H84A 110.4 . . ?
C83 C84 H84B 110.4 . . ?
H84A C84 H84B 108.6 . . ?
C78 C85 C83 111(3) . . ?
C78 C85 H85A 109.5 . . ?
C78 C85 H85B 109.5 . . ?
C83 C85 H85A 109.5 . . ?
C83 C85 H85B 109.5 . . ?
H85A C85 H85B 108.1 . . ?
O2 S1 C100 99.6(19) . . ?
O3 S1 O2 114(2) . . ?
O3 S1 C100 102(2) . . ?
O1 S1 O2 114.7(19) . . ?
O1 S1 O3 118(2) . . ?
O1 S1 C100 105(2) . . ?
F1 C100 S1 113(3) . . ?
F1 C100 F2 104(4) . . ?
F2 C100 S1 110(3) . . ?
F3 C100 S1 113(3) . . ?
F3 C100 F1 111(4) . . ?
F3 C100 F2 105(4) . . ?
Cl1 C86 H86A 110.5 . . ?
Cl11 C86 Cl1 86(3) . . ?
Cl11 C86 Cl5 138(4) . . ?
Cl11 C86 H86A 110.5 . . ?
Cl3 C86 H86 112.3 . . ?
Cl3 C86 Cl2 97(3) . . ?
Cl5 C86 Cl1 88(3) . . ?
Cl5 C86 H86A 110.5 . . ?
Cl6 C86 Cl3 128(4) . . ?
Cl6 C86 H86 112.3 . . ?
Cl6 C86 Cl2 90(3) . . ?
Cl2 C86 H86 112.3 . . ?
O4 S2 O5 114(3) . . ?
O4 S2 O6 113(2) . . ?
O4 S2 C200 99(3) . . ?
O5 S2 O6 115(3) . . ?
O5 S2 C200 113(4) . . ?
O6 S2 C200 100(3) . . ?
F4 C200 S2 123(7) . . ?
F4 C200 F5 102(7) . . ?
F4 C200 F6 115(7) . . ?
F5 C200 S2 110(6) . . ?
F6 C200 S2 108(6) . . ?
F6 C200 F5 95(6) . . ?
Cl10 C88 Cl14 88(2) . . ?
Cl10 C88 H88A 119.4 . . ?
Cl14 C88 H88A 119.4 . . ?
Cl9 C88 Cl10 92(3) . . ?
Cl9 C88 Cl14 112(3) . . ?
Cl9 C88 H88A 119.4 . . ?
Cl13 C88 H88 112.4 . . ?
Cl13 C88 Cl15 103(3) . . ?
Cl12 C88 H88 112.4 . . ?
Cl12 C88 Cl13 115(2) . . ?
Cl12 C88 Cl15 100(2) . . ?
Cl15 C88 H88 112.4 . . ?
C53 C61B H61C 111.1 . . ?
C53 C61B H61D 111.1 . . ?
H61C C61B H61D 109.1 . . ?
C62A C61B C53 103(7) . . ?
C62A C61B H61C 111.1 . . ?
C62A C61B H61D 111.1 . . ?
C53 C58B H58C 108.3 . . ?
C53 C58B H58D 108.3 . . ?
C56 C58B C53 116(7) . . ?
C56 C58B H58C 108.3 . . ?
C56 C58B H58D 108.3 . . ?
H58C C58B H58D 107.4 . . ?
C53 C54B H54C 110.3 . . ?
C53 C54B H54D 110.3 . . ?
C53 C54B C59A 107(8) . . ?
H54C C54B H54D 108.6 . . ?
C59A C54B H54C 110.3 . . ?
C59A C54B H54D 110.3 . . ?
C63 Cl7 Cl4 46.5(12) . . ?
C63 Cl4 Cl7 45.9(12) . . ?
Cl7 C63 Cl4 88(2) . . ?
Cl7 C63 H63 111.9 . . ?
Cl8 C63 Cl7 129(4) . . ?
Cl8 C63 Cl4 99(2) . . ?
Cl8 C63 H63 111.9 . . ?
Cl4 C63 H63 111.9 . . ?
C58 C62 H62 110.0 . . ?
C58 C62 C62B 101(7) . . ?
C57A C62 C58 117(8) . . ?
C57A C62 H62 110.0 . . ?
C57A C62 C62B 109(8) . . ?
C62B C62 H62 110.0 . . ?
F7 C8 F10 117(2) . . ?
F7 C8 F11 115(2) . . ?
F7 C8 S6 102(2) . . ?
F10 C8 F11 118(2) . . ?
F10 C8 S6 99(2) . . ?
F11 C8 S6 101.1(19) . . ?
O8 S6 C8 103.0(16) . . ?
O8 S6 O10 112.7(18) . . ?
O10 S6 C8 102.0(15) . . ?
O11 S6 C8 103.1(14) . . ?
O11 S6 O8 118.2(18) . . ?
O11 S6 O10 115.0(17) . . ?
S6 O11 Ag1 150.6(17) . . ?
C62 C57A H57C 124.6 . . ?
C55A C57A C62 111(7) . . ?
C55A C57A H57C 124.6 . . ?
C54 C55A H55C 105.2 . . ?
C59 C55A C54 113(7) . . ?
C59 C55A H55C 105.2 . . ?
C57A C55A C54 113(7) . . ?
C57A C55A C59 114(7) . . ?
C57A C55A H55C 105.2 . . ?
C55 C59A H59C 109.6 . . ?
C54B C59A C55 99(10) . . ?
C54B C59A H59C 109.6 . . ?
C60A C59A C55 108(10) . . ?
C60A C59A C54B 120(10) . . ?
C60A C59A H59C 109.6 . . ?
C59A C60A H60A 119.8 . . ?
C62A C60A C59A 120(10) . . ?
C62A C60A H60A 119.8 . . ?
C57 C62A C61B 110(10) . . ?
C57 C62A H62A 107.0 . . ?
C61B C62A H62A 107.0 . . ?
C60A C62A C57 112(10) . . ?
C60A C62A C61B 114(10) . . ?
C60A C62A H62A 107.0 . . ?
C60 C62B H62B 109.5 . . ?
C60 C62B H62C 109.5 . . ?
C62 C62B C60 111(7) . . ?
C62 C62B H62B 109.5 . . ?
C62 C62B H62C 109.5 . . ?
H62B C62B H62C 108.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 -170(3) . . . . ?
Pt1 N1 C5 C4 173(3) . . . . ?
Pt1 N1 C5 C6 -14(4) . . . . ?
Pt2 N4 C32 C30 -13(4) . . . . ?
Pt2 N4 C32 C33 165(3) . . . . ?
Pt2 N4 C36 C35 -180(2) . . . . ?
Ag1 N2 C12 C10 2(5) . . . . ?
Ag1 N2 C12 C13 179(3) . . . . ?
Ag1 N2 C16 C15 -177(3) . . . . ?
Ag1 N3 C21 C22 -178(2) . . . . ?
Ag1 N3 C25 C24 -180(2) . . . . ?
Ag1 N3 C25 C26 4(4) . . . . ?
N1 C1 C2 C3 -9(6) . . . . ?
N1 C5 C6 N5 -176(3) . . . . ?
N1 C5 C6 C11 -1(4) . . . . ?
N2 C12 C13 C14 0(6) . . . . ?
N3 C21 C22 C23 -2(5) . . . . ?
N3 C25 C26 C27 133(3) . . . . ?
N3 C25 C26 C31 -39(5) . . . . ?
N4 C32 C33 C34 11(6) . . . . ?
N7 C42 C43 C44 -180(3) . . . . ?
N7 C42 C47 C46 179(3) . . . . ?
N7 C42 C48 C49 178(3) . . . . ?
N8 C53 C54 C55A -172(5) . . . . ?
N8 C53 C58 C62 -173(6) . . . . ?
N8 C53 C61 C60 175(4) . . . . ?
N8 C53 C61B C62A 178(7) . . . . ?
N8 C53 C58B C56 172(6) . . . . ?
N8 C53 C54B C59A -159(7) . . . . ?
N9 C65 C66 C67 -176(3) . . . . ?
N9 C65 C70 C69 175(4) . . . . ?
N9 C65 C73 C72 176(3) . . . . ?
N10 C76 C77 C78 -179(3) . . . . ?
N10 C76 C81 C80 -178(3) . . . . ?
N10 C76 C84 C83 180(3) . . . . ?
C1 N1 C5 C4 -7(5) . . . . ?
C1 N1 C5 C6 165(3) . . . . ?
C1 C2 C3 C4 3(7) . . . . ?
C2 C3 C4 C5 2(6) . . . . ?
C3 C4 C5 N1 0(6) . . . . ?
C3 C4 C5 C6 -170(4) . . . . ?
C4 C5 C6 N5 -4(6) . . . . ?
C4 C5 C6 C11 171(4) . . . . ?
C5 N1 C1 C2 11(5) . . . . ?
C5 C6 N5 C90 178(3) . . . . ?
C5 C6 C11 Pt1 16(4) . . . . ?
C5 C6 C11 C10 -165(3) . . . . ?
C6 N5 C90 C9 -16(5) . . . . ?
C6 N5 C90 C17 168(3) . . . . ?
N5 C6 C11 Pt1 -171(3) . . . . ?
N5 C6 C11 C10 8(5) . . . . ?
N5 C90 C9 C10 18(5) . . . . ?
N5 C90 C17 C18 -40(6) . . . . ?
N5 C90 C17 C19 -148(4) . . . . ?
N5 C90 C17 C20 122(5) . . . . ?
C90 C9 C10 C11 -6(5) . . . . ?
C90 C9 C10 C12 -180(3) . . . . ?
C9 C90 C17 C18 145(5) . . . . ?
C9 C90 C17 C19 37(5) . . . . ?
C9 C90 C17 C20 -53(6) . . . . ?
C9 C10 C11 Pt1 172(3) . . . . ?
C9 C10 C11 C6 -7(4) . . . . ?
C9 C10 C12 N2 133(4) . . . . ?
C9 C10 C12 C13 -44(5) . . . . ?
C10 C12 C13 C14 177(3) . . . . ?
C11 C6 N5 C90 4(5) . . . . ?
C11 C10 C12 N2 -41(5) . . . . ?
C11 C10 C12 C13 142(3) . . . . ?
C12 N2 C16 C15 2(5) . . . . ?
C12 C10 C11 Pt1 -14(5) . . . . ?
C12 C10 C11 C6 167(3) . . . . ?
C12 C13 C14 C15 -2(6) . . . . ?
C13 C14 C15 C16 4(6) . . . . ?
C14 C15 C16 N2 -4(6) . . . . ?
C16 N2 C12 C10 -177(3) . . . . ?
C16 N2 C12 C13 0(5) . . . . ?
C17 C90 C9 C10 -168(4) . . . . ?
C21 N3 C25 C24 1(5) . . . . ?
C21 N3 C25 C26 -176(3) . . . . ?
C21 C22 C23 C24 0(6) . . . . ?
C22 C23 C24 C25 2(6) . . . . ?
C23 C24 C25 N3 -2(5) . . . . ?
C23 C24 C25 C26 174(3) . . . . ?
C24 C25 C26 C27 -43(5) . . . . ?
C24 C25 C26 C31 144(3) . . . . ?
C25 N3 C21 C22 2(5) . . . . ?
C25 C26 C27 C28 -174(3) . . . . ?
C25 C26 C31 Pt2 -16(5) . . . . ?
C25 C26 C31 C30 167(3) . . . . ?
C26 C27 C28 N6 5(6) . . . . ?
C26 C27 C28 C37 -170(4) . . . . ?
C27 C26 C31 Pt2 170(2) . . . . ?
C27 C26 C31 C30 -6(5) . . . . ?
C27 C28 N6 C30 -3(5) . . . . ?
C27 C28 C37 C38 -19(7) . . . . ?
C27 C28 C37 C39 131(4) . . . . ?
C27 C28 C37 C40 -133(4) . . . . ?
C28 N6 C30 C31 -4(5) . . . . ?
C28 N6 C30 C32 170(3) . . . . ?
N6 C28 C37 C38 166(5) . . . . ?
N6 C28 C37 C39 -44(5) . . . . ?
N6 C28 C37 C40 51(5) . . . . ?
N6 C30 C31 Pt2 -169(3) . . . . ?
N6 C30 C31 C26 8(5) . . . . ?
N6 C30 C32 N4 -178(3) . . . . ?
N6 C30 C32 C33 4(5) . . . . ?
C30 C32 C33 C34 -171(4) . . . . ?
C31 C26 C27 C28 -1(5) . . . . ?
C31 C30 C32 N4 -4(5) . . . . ?
C31 C30 C32 C33 178(3) . . . . ?
C32 N4 C36 C35 -14(5) . . . . ?
C32 C30 C31 Pt2 18(4) . . . . ?
C32 C30 C31 C26 -165(3) . . . . ?
C32 C33 C34 C35 -5(6) . . . . ?
C33 C34 C35 C36 -9(6) . . . . ?
C34 C35 C36 N4 19(5) . . . . ?
C36 N4 C32 C30 -179(3) . . . . ?
C36 N4 C32 C33 -1(5) . . . . ?
C37 C28 N6 C30 172(3) . . . . ?
C42 C43 C44 C45 63(4) . . . . ?
C42 C43 C44 C51 -57(5) . . . . ?
C42 C48 C49 C50 -57(5) . . . . ?
C42 C48 C49 C51 63(5) . . . . ?
C43 C42 C47 C46 61(5) . . . . ?
C43 C42 C48 C49 -62(4) . . . . ?
C43 C44 C45 C46 -67(5) . . . . ?
C43 C44 C51 C49 66(5) . . . . ?
C44 C45 C46 C47 67(5) . . . . ?
C44 C45 C46 C50 -47(6) . . . . ?
C45 C44 C51 C49 -44(7) . . . . ?
C45 C46 C47 C42 -60(5) . . . . ?
C45 C46 C50 C49 56(6) . . . . ?
C47 C42 C43 C44 -64(4) . . . . ?
C47 C42 C48 C49 60(4) . . . . ?
C47 C46 C50 C49 -58(5) . . . . ?
C48 C42 C43 C44 60(4) . . . . ?
C48 C42 C47 C46 -62(5) . . . . ?
C48 C49 C50 C46 59(5) . . . . ?
C48 C49 C51 C44 -70(6) . . . . ?
C50 C46 C47 C42 56(5) . . . . ?
C50 C49 C51 C44 49(6) . . . . ?
C51 C44 C45 C46 44(6) . . . . ?
C51 C49 C50 C46 -57(6) . . . . ?
C52 N8 C53 C54 -32(18) . . . . ?
C52 N8 C53 C58 86(17) . . . . ?
C52 N8 C53 C61 -154(16) . . . . ?
C52 N8 C53 C61B 146(16) . . . . ?
C52 N8 C53 C58B 33(18) . . . . ?
C52 N8 C53 C54B -87(18) . . . . ?
C53 C54 C55A C59 62(8) . . . . ?
C53 C54 C55A C57A -69(8) . . . . ?
C53 C58 C62 C57A 45(11) . . . . ?
C53 C58 C62 C62B -73(9) . . . . ?
C53 C61 C60 C59 -51(6) . . . . ?
C53 C61 C60 C62B 55(6) . . . . ?
C53 C61B C62A C57 71(10) . . . . ?
C53 C61B C62A C60A -56(13) . . . . ?
C53 C54B C59A C55 -86(11) . . . . ?
C53 C54B C59A C60A 31(16) . . . . ?
C54 C53 C58 C62 -55(8) . . . . ?
C54 C53 C61 C60 58(7) . . . . ?
C55 C56 C57 C62A -47(10) . . . . ?
C55 C56 C58B C53 47(9) . . . . ?
C55 C59A C60A C62A 74(16) . . . . ?
C56 C55 C59A C54B 69(10) . . . . ?
C56 C55 C59A C60A -57(12) . . . . ?
C56 C57 C62A C61B -66(12) . . . . ?
C56 C57 C62A C60A 61(14) . . . . ?
C58 C53 C54 C55A 64(7) . . . . ?
C58 C53 C61 C60 -62(7) . . . . ?
C58 C62 C57A C55A -44(11) . . . . ?
C58 C62 C62B C60 70(8) . . . . ?
C57 C56 C58B C53 -50(9) . . . . ?
C59 C60 C62B C62 38(8) . . . . ?
C61 C53 C54 C55A -57(7) . . . . ?
C61 C53 C58 C62 70(8) . . . . ?
C61 C60 C62B C62 -62(7) . . . . ?
C60 C59 C55A C54 -73(9) . . . . ?
C60 C59 C55A C57A 58(10) . . . . ?
C65 C66 C67 C68 -60(5) . . . . ?
C65 C66 C67 C71 55(5) . . . . ?
C66 C65 C70 C69 -61(5) . . . . ?
C66 C65 C73 C72 56(5) . . . . ?
C66 C67 C68 C69 69(5) . . . . ?
C66 C67 C71 C72 -63(6) . . . . ?
C67 C68 C69 C70 -66(6) . . . . ?
C67 C68 C69 C74 43(7) . . . . ?
C67 C71 C72 C73 60(6) . . . . ?
C67 C71 C72 C74 -50(7) . . . . ?
C68 C67 C71 C72 47(7) . . . . ?
C68 C69 C70 C65 61(6) . . . . ?
C68 C69 C74 C72 -44(7) . . . . ?
C70 C65 C66 C67 58(5) . . . . ?
C70 C65 C73 C72 -60(4) . . . . ?
C70 C69 C74 C72 64(6) . . . . ?
C71 C67 C68 C69 -42(6) . . . . ?
C71 C72 C73 C65 -52(5) . . . . ?
C71 C72 C74 C69 45(6) . . . . ?
C73 C65 C66 C67 -58(5) . . . . ?
C73 C65 C70 C69 57(5) . . . . ?
C73 C72 C74 C69 -68(5) . . . . ?
C74 C69 C70 C65 -56(6) . . . . ?
C74 C72 C73 C65 66(4) . . . . ?
C76 C77 C78 C79 61(5) . . . . ?
C76 C77 C78 C85 -59(4) . . . . ?
C77 C76 C81 C80 65(4) . . . . ?
C77 C76 C84 C83 -58(4) . . . . ?
C77 C78 C79 C80 -61(5) . . . . ?
C77 C78 C85 C83 64(4) . . . . ?
C78 C79 C80 C81 63(5) . . . . ?
C78 C79 C80 C82 -60(5) . . . . ?
C79 C78 C85 C83 -57(5) . . . . ?
C79 C80 C81 C76 -63(4) . . . . ?
C79 C80 C82 C83 55(4) . . . . ?
C80 C82 C83 C84 69(4) . . . . ?
C80 C82 C83 C85 -53(4) . . . . ?
C81 C76 C77 C78 -63(4) . . . . ?
C81 C76 C84 C83 62(4) . . . . ?
C81 C80 C82 C83 -68(4) . . . . ?
C82 C80 C81 C76 63(4) . . . . ?
C82 C83 C84 C76 -67(4) . . . . ?
C82 C83 C85 C78 57(4) . . . . ?
C84 C76 C77 C78 58(4) . . . . ?
C84 C76 C81 C80 -60(4) . . . . ?
C84 C83 C85 C78 -65(4) . . . . ?
C85 C78 C79 C80 58(5) . . . . ?
C85 C83 C84 C76 58(4) . . . . ?
O2 S1 C100 F1 -61(4) . . . . ?
O2 S1 C100 F2 -177(3) . . . . ?
O2 S1 C100 F3 66(4) . . . . ?
O3 S1 C100 F1 -178(3) . . . . ?
O3 S1 C100 F2 66(4) . . . . ?
O3 S1 C100 F3 -51(4) . . . . ?
O4 S2 C200 F4 65(8) . . . . ?
O4 S2 C200 F5 -176(5) . . . . ?
O4 S2 C200 F6 -73(6) . . . . ?
O5 S2 C200 F4 -174(7) . . . . ?
O5 S2 C200 F5 -54(6) . . . . ?
O5 S2 C200 F6 49(7) . . . . ?
O6 S2 C200 F4 -50(8) . . . . ?
O6 S2 C200 F5 69(6) . . . . ?
O6 S2 C200 F6 172(5) . . . . ?
C61B C53 C58B C56 63(9) . . . . ?
C61B C53 C54B C59A -43(11) . . . . ?
C58B C53 C61B C62A -66(8) . . . . ?
C58B C53 C54B C59A 78(9) . . . . ?
C58B C56 C57 C62A 52(11) . . . . ?
C54B C53 C61B C62A 55(9) . . . . ?
C54B C53 C58B C56 -65(9) . . . . ?
C54B C59A C60A C62A -39(21) . . . . ?
Cl7 Cl4 C63 Cl8 -129(4) . . . . ?
Cl4 Cl7 C63 Cl8 100(4) . . . . ?
O1 S1 C100 F1 58(4) . . . . ?
O1 S1 C100 F2 -58(4) . . . . ?
O1 S1 C100 F3 -175(3) . . . . ?
C62 C57A C55A C54 59(9) . . . . ?
C62 C57A C55A C59 -72(9) . . . . ?
C8 S6 O11 Ag1 -75(4) . . . . ?
F7 C8 S6 O8 -62(2) . . . . ?
F7 C8 S6 O10 55(2) . . . . ?
F7 C8 S6 O11 175(2) . . . . ?
F10 C8 S6 O8 178(3) . . . . ?
F10 C8 S6 O10 -65(2) . . . . ?
F10 C8 S6 O11 55(2) . . . . ?
F11 C8 S6 O8 57(2) . . . . ?
F11 C8 S6 O10 174(2) . . . . ?
F11 C8 S6 O11 -66(2) . . . . ?
O8 S6 O11 Ag1 172(3) . . . . ?
O10 S6 O11 Ag1 35(5) . . . . ?
C57A C62 C62B C60 -53(8) . . . . ?
C55A C59 C60 C61 60(8) . . . . ?
C55A C59 C60 C62B -39(9) . . . . ?
C59A C60A C62A C57 -73(17) . . . . ?
C59A C60A C62A C61B 52(18) . . . . ?
C62B C62 C57A C55A 70(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'


# start Validation Reply Form
_vrf_THETM01_lm010_0m            
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The crystals were small needles of very low quality. The one measured 
was not a true single crystal (high mosaicity) and due to the presence of 
chloroform and disordered trfiflate anions in the structure the maximum 
resolution was low. 
;
_vrf_PLAT023_lm010_0m            
;
PROBLEM: Resolution (too) Low [sin(theta)/Lambda < 0.6]..       0.48 Ang-1 
RESPONSE: see above
;
_vrf_PLAT201_lm010_0m            
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......        100 Report
RESPONSE: The number of measured reflections is too low, it does not allow 
the anisotropic refinement of atoms. Only the metallic ions were refined 
anisotropically.
;
# end Validation Reply Form
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_bl279-2
_database_code_depnum_ccdc_archive 'CCDC 2339433'
loop_
_audit_author_name
_audit_author_address
'Geoffrey Gontard'
;Sorbonne Universite, IPCM
France
;
_audit_update_record             
;
2024-03-11 deposited with the CCDC.	2024-06-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_formula_moiety         'C19 H18 Cl N3 Pt, C2 H3 N'
_chemical_formula_sum            'C21 H21 Cl N4 Pt'
_chemical_formula_weight         559.96

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 21/m'
_space_group_name_Hall           '-P 2yb'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   12.6144(9)
_cell_length_b                   6.7077(4)
_cell_length_c                   12.6960(8)
_cell_angle_alpha                90
_cell_angle_beta                 106.728(4)
_cell_angle_gamma                90
_cell_volume                     1028.79(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(1)
_cell_measurement_reflns_used    8270
_cell_measurement_theta_min      2.70
_cell_measurement_theta_max      30.45

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.02
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.808
_exptl_crystal_F_000             540
_exptl_absorpt_coefficient_mu    6.962
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.204
_exptl_absorpt_correction_T_max  0.433
_exptl_absorpt_process_details   
; 
 Sheldrick, G. M. (2012). TWINABS 2012/1. Bruker, Madison, Wisconsin, USA.
;

_diffrn_ambient_temperature      200(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'curved graphite'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_reflns_number            29225
_diffrn_reflns_av_unetI/netI     0.0751
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.697
_diffrn_reflns_theta_max         30.558
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             29225
_reflns_number_gt                24485
_reflns_threshold_expression     'I > 2σ(I)'

_reflns_special_details          
;
 Completeness statistics refer to single and composite
 reflections containing twin component 1 only.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'SXGRAPH (Farrugia, 2012)'

_refine_special_details          'Refined as a 2-component twin.,Twin'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+8.1085P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         29225
_refine_ls_number_parameters     161
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0558
_refine_ls_wR_factor_ref         0.1294
_refine_ls_wR_factor_gt          0.1227
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_restrained_S_all      1.111
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         5.350
_refine_diff_density_min         -3.754
_refine_diff_density_rms         0.272

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 0.93171(4) 0.250000 0.34156(3) 0.02966(15) Uani 1 2 d S T P . .
Cl1 Cl 1.0056(3) 0.250000 0.1873(3) 0.0546(9) Uani 1 2 d S T P . .
N1 N 1.0742(8) 0.250000 0.4684(7) 0.030(2) Uani 1 2 d S T P . .
N2 N 0.7668(8) 0.250000 0.2598(8) 0.034(2) Uani 1 2 d S T P . .
N3 N 0.7087(8) 0.250000 0.5246(8) 0.038(2) Uani 1 2 d S T P . .
N4 N 0.3164(16) 0.250000 -0.0484(14) 0.099(6) Uani 1 2 d S T P . .
C1 C 0.8702(9) 0.250000 0.4632(9) 0.027(2) Uani 1 2 d S T P . .
C2 C 0.7577(9) 0.250000 0.4438(9) 0.031(2) Uani 1 2 d S T P . .
C3 C 0.7763(11) 0.250000 0.6288(10) 0.038(3) Uani 1 2 d S T P . .
C4 C 0.8916(10) 0.250000 0.6536(9) 0.034(3) Uani 1 2 d S T P . .
H4 H 0.935871 0.250000 0.728128 0.041 Uiso 1 2 calc R U P . .
C5 C 0.9413(9) 0.250000 0.5695(8) 0.027(2) Uani 1 2 d S T P . .
C6 C 0.6977(10) 0.250000 0.3256(10) 0.037(3) Uani 1 2 d S T P . .
C7 C 0.5845(11) 0.250000 0.2825(12) 0.051(3) Uani 1 2 d S T P . .
H7 H 0.538301 0.250000 0.329779 0.061 Uiso 1 2 calc R U P . .
C8 C 0.5387(13) 0.250000 0.1702(13) 0.066(5) Uani 1 2 d S T P . .
H8 H 0.460639 0.250000 0.139114 0.079 Uiso 1 2 calc R U P . .
C9 C 0.6068(14) 0.250000 0.1044(13) 0.066(5) Uani 1 2 d S T P . .
H9 H 0.576025 0.250000 0.026724 0.079 Uiso 1 2 calc R U P . .
C10 C 0.7210(12) 0.250000 0.1498(10) 0.049(3) Uani 1 2 d S T P . .
H10 H 0.767493 0.250000 0.102721 0.059 Uiso 1 2 calc R U P . .
C11 C 1.0590(9) 0.250000 0.5717(9) 0.028(2) Uani 1 2 d S T P . .
C12 C 1.1491(10) 0.250000 0.6637(9) 0.036(3) Uani 1 2 d S T P . .
H12 H 1.138366 0.250000 0.734738 0.043 Uiso 1 2 calc R U P . .
C13 C 1.2546(11) 0.250000 0.6534(11) 0.043(3) Uani 1 2 d S T P . .
H13 H 1.316805 0.250000 0.716933 0.052 Uiso 1 2 calc R U P . .
C14 C 1.2692(10) 0.250000 0.5508(11) 0.043(3) Uani 1 2 d S T P . .
H14 H 1.341601 0.250000 0.542363 0.052 Uiso 1 2 calc R U P . .
C15 C 1.1778(10) 0.250000 0.4597(10) 0.036(3) Uani 1 2 d S T P . .
H15 H 1.188435 0.250000 0.388559 0.043 Uiso 1 2 calc R U P . .
C16 C 0.7162(13) 0.250000 0.7177(12) 0.051(3) Uani 1 2 d S T P . .
C17 C 0.6501(17) 0.065(2) 0.7082(14) 0.143(8) Uani 1 1 d . . . . .
H17A H 0.698975 -0.050996 0.715208 0.214 Uiso 1 1 calc R U . . .
H17B H 0.613632 0.061621 0.766658 0.214 Uiso 1 1 calc R U . . .
H17C H 0.594059 0.061622 0.636394 0.214 Uiso 1 1 calc R U . . .
C18 C 0.7987(18) 0.250000 0.8353(14) 0.109(8) Uani 1 2 d S T P . .
H18A H 0.845191 0.134180 0.844439 0.164 Uiso 1 1 d R U . . .
H18B H 0.758327 0.250000 0.888893 0.164 Uiso 1 2 d R U P . .
C19 C 0.2267(18) 0.250000 -0.0397(12) 0.065(5) Uani 1 2 d S T P . .
C20 C 0.1142(19) 0.250000 -0.0394(13) 0.086(6) Uani 1 2 d S T P . .
H20A H 0.099455 0.131724 -0.003407 0.128 Uiso 1 1 d R U . . .
H20B H 0.066867 0.250000 -0.113657 0.128 Uiso 1 2 d R U P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 1.917(11) . ?
Pt1 N1 2.039(9) . ?
Pt1 N2 2.041(10) . ?
Pt1 Cl1 2.399(3) . ?
N1 C15 1.343(15) . ?
N1 C11 1.379(14) . ?
N2 C10 1.349(15) . ?
N2 C6 1.369(16) . ?
N3 C2 1.342(15) . ?
N3 C3 1.352(15) . ?
N4 C19 1.17(2) . ?
C1 C2 1.369(16) . ?
C1 C5 1.389(14) . ?
C2 C6 1.473(15) . ?
C3 C4 1.397(17) . ?
C3 C16 1.529(18) . ?
C4 C5 1.387(16) . ?
C5 C11 1.477(16) . ?
C6 C7 1.375(17) . ?
C7 C8 1.375(19) . ?
C8 C9 1.36(2) . ?
C9 C10 1.39(2) . ?
C11 C12 1.375(15) . ?
C12 C13 1.374(18) . ?
C13 C14 1.367(19) . ?
C14 C15 1.378(16) . ?
C16 C17 1.481(16) . ?
C16 C17 1.481(16) 4_565 ?
C16 C18 1.56(2) . ?
C19 C20 1.42(3) . ?

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
C1 Pt1 N1 80.4(4) . . ?
C1 Pt1 N2 79.6(4) . . ?
N1 Pt1 N2 160.0(4) . . ?
C1 Pt1 Cl1 179.1(3) . . ?
N1 Pt1 Cl1 100.6(3) . . ?
N2 Pt1 Cl1 99.4(3) . . ?
C15 N1 C11 118.9(10) . . ?
C15 N1 Pt1 126.3(8) . . ?
C11 N1 Pt1 114.8(8) . . ?
C10 N2 C6 118.3(11) . . ?
C10 N2 Pt1 126.6(10) . . ?
C6 N2 Pt1 115.1(7) . . ?
C2 N3 C3 116.7(10) . . ?
C2 C1 C5 121.4(11) . . ?
C2 C1 Pt1 119.6(8) . . ?
C5 C1 Pt1 119.0(8) . . ?
N3 C2 C1 123.0(10) . . ?
N3 C2 C6 124.4(11) . . ?
C1 C2 C6 112.7(11) . . ?
N3 C3 C4 122.9(11) . . ?
N3 C3 C16 114.5(12) . . ?
C4 C3 C16 122.6(11) . . ?
C5 C4 C3 120.0(10) . . ?
C4 C5 C1 116.1(10) . . ?
C4 C5 C11 131.4(10) . . ?
C1 C5 C11 112.5(10) . . ?
N2 C6 C7 121.8(12) . . ?
N2 C6 C2 113.0(10) . . ?
C7 C6 C2 125.2(13) . . ?
C6 C7 C8 119.4(15) . . ?
C9 C8 C7 119.1(14) . . ?
C8 C9 C10 120.5(14) . . ?
N2 C10 C9 120.9(15) . . ?
C12 C11 N1 120.0(11) . . ?
C12 C11 C5 126.6(10) . . ?
N1 C11 C5 113.3(9) . . ?
C13 C12 C11 120.3(12) . . ?
C14 C13 C12 119.4(11) . . ?
C13 C14 C15 119.4(13) . . ?
N1 C15 C14 122.0(12) . . ?
C17 C16 C17 114(2) . 4_565 ?
C17 C16 C3 109.1(9) . . ?
C17 C16 C3 109.1(9) 4_565 . ?
C17 C16 C18 106.5(11) . . ?
C17 C16 C18 106.5(11) 4_565 . ?
C3 C16 C18 111.8(13) . . ?
N4 C19 C20 175.0(18) . . ?



