# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_1_amt744
_database_code_depnum_ccdc_archive 'CCDC 1858213'
_audit_update_record             
;
2018-07-25 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H47 Cl N2 Pt'
_chemical_formula_weight         702.27

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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   Pc

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

_cell_length_a                   9.84610(10)
_cell_length_b                   8.57880(10)
_cell_length_c                   18.1409(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.3000(10)
_cell_angle_gamma                90.00
_cell_volume                     1512.18(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    12282
_cell_measurement_theta_min      4.1515
_cell_measurement_theta_max      28.8360

_exptl_crystal_description       prismatic
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             708
_exptl_absorpt_coefficient_mu    4.752
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3205
_exptl_absorpt_correction_T_max  0.6480
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17133
_diffrn_reflns_av_R_equivalents  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0365
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         4.16
_diffrn_reflns_theta_max         28.90
_diffrn_orient_matrix_UB_11      -0.0522640000
_diffrn_orient_matrix_UB_12      -0.0522793000
_diffrn_orient_matrix_UB_13      0.0069795000
_diffrn_orient_matrix_UB_21      0.0017606000
_diffrn_orient_matrix_UB_22      0.0331717000
_diffrn_orient_matrix_UB_23      0.0359577000
_diffrn_orient_matrix_UB_31      -0.0509543000
_diffrn_orient_matrix_UB_32      0.0547894000
_diffrn_orient_matrix_UB_33      -0.0150841000
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   20.00   90.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928   57.0000  120.0000 70

#__ type_ start__ end____ width___ exp.time_
  2 omega   36.00   79.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  179.0000    0.0000 43

#__ type_ start__ end____ width___ exp.time_
  3 omega  -49.00   -2.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  -57.0000   30.0000 47

#__ type_ start__ end____ width___ exp.time_
  4 omega  -49.00   19.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  -57.0000  -30.0000 68

#__ type_ start__ end____ width___ exp.time_
  5 omega  -31.00   21.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615  -93.0000 -157.0000 52

#__ type_ start__ end____ width___ exp.time_
  6 omega -102.00  -32.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615  179.0000  -60.0000 70

#__ type_ start__ end____ width___ exp.time_
  7 omega  -25.00   25.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615  -99.0000    0.0000 50

#__ type_ start__ end____ width___ exp.time_
  8 omega  -11.00   17.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928   77.0000  -30.0000 28

#__ type_ start__ end____ width___ exp.time_
  9 omega  -49.00   46.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  -57.0000 -150.0000 95

#__ type_ start__ end____ width___ exp.time_
 10 omega  -52.00   54.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  -37.0000   90.0000 106

;
_reflns_number_total             6873
_reflns_number_gt                6368
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0250P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.018(5)
_refine_ls_number_reflns         6873
_refine_ls_number_parameters     334
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0261
_refine_ls_R_factor_gt           0.0221
_refine_ls_wR_factor_ref         0.0489
_refine_ls_wR_factor_gt          0.0465
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.381178(18) 0.371715(13) 0.289294(15) 0.01710(4) Uani 1 1 d . . .
Cl Cl 0.50859(17) 0.35178(13) 0.19274(8) 0.0260(3) Uani 1 1 d . . .
N1 N 0.2720(5) 0.3905(4) 0.3700(2) 0.0175(10) Uani 1 1 d . . .
C1 C 0.5349(4) 0.4510(4) 0.37297(19) 0.0185(8) Uani 1 1 d . . .
C2 C 0.6721(4) 0.4849(4) 0.3746(2) 0.0226(8) Uani 1 1 d . . .
H2 H 0.7120 0.4660 0.3312 0.027 Uiso 1 1 calc R . .
C3 C 0.7539(4) 0.5457(5) 0.4374(2) 0.0264(9) Uani 1 1 d . . .
H3 H 0.8476 0.5696 0.4358 0.032 Uiso 1 1 calc R . .
C4 C 0.7010(5) 0.5721(5) 0.5027(2) 0.0298(10) Uani 1 1 d . . .
H4 H 0.7579 0.6127 0.5457 0.036 Uiso 1 1 calc R . .
C5 C 0.5627(4) 0.5381(5) 0.5043(2) 0.0231(8) Uani 1 1 d . . .
H5 H 0.5244 0.5546 0.5485 0.028 Uiso 1 1 calc R . .
C6 C 0.4813(4) 0.4793(4) 0.43985(19) 0.0183(7) Uani 1 1 d . . .
C7 C 0.3345(4) 0.4464(4) 0.4373(2) 0.0195(8) Uani 1 1 d . . .
C8 C 0.2565(4) 0.4694(5) 0.4940(2) 0.0234(8) Uani 1 1 d . . .
H8 H 0.2975 0.5116 0.5407 0.028 Uiso 1 1 calc R . .
C9 C 0.1186(4) 0.4299(5) 0.4812(2) 0.0282(9) Uani 1 1 d . . .
H9 H 0.0648 0.4430 0.5197 0.034 Uiso 1 1 calc R . .
C10 C 0.0580(4) 0.3712(4) 0.4121(2) 0.0255(9) Uani 1 1 d . . .
H10 H -0.0363 0.3420 0.4038 0.031 Uiso 1 1 calc R . .
C11 C 0.1368(4) 0.3556(4) 0.3552(2) 0.0189(8) Uani 1 1 d . . .
C12 C 0.0896(4) 0.3073(4) 0.2781(2) 0.0207(8) Uani 1 1 d . . .
C13 C 0.1928(4) 0.3065(4) 0.2313(2) 0.0223(8) Uani 1 1 d . . .
C14 C 0.1492(4) 0.2670(4) 0.1567(2) 0.0257(9) Uani 1 1 d . . .
H14 H 0.2140 0.2682 0.1232 0.031 Uiso 1 1 calc R . .
C15 C 0.0146(5) 0.2261(5) 0.1300(2) 0.0342(11) Uani 1 1 d . . .
H15 H -0.0103 0.1974 0.0790 0.041 Uiso 1 1 calc R . .
C16 C -0.0837(5) 0.2263(5) 0.1756(2) 0.0325(10) Uani 1 1 d . . .
H16 H -0.1758 0.1977 0.1563 0.039 Uiso 1 1 calc R . .
C17 C -0.0475(4) 0.2686(4) 0.2504(2) 0.0282(9) Uani 1 1 d . . .
H17 H -0.1151 0.2712 0.2823 0.034 Uiso 1 1 calc R . .
N2 N 0.4863(3) 0.8703(3) 0.23609(19) 0.0175(6) Uani 1 1 d . . .
C18 C 0.5597(4) 0.9925(4) 0.28876(19) 0.0183(7) Uani 1 1 d . . .
H18A H 0.6236 1.0507 0.2620 0.022 Uiso 1 1 calc R . .
H18B H 0.4904 1.0675 0.3011 0.022 Uiso 1 1 calc R . .
C19 C 0.6400(4) 0.9315(4) 0.3607(2) 0.0226(8) Uani 1 1 d . . .
H19A H 0.7099 0.8558 0.3496 0.027 Uiso 1 1 calc R . .
H19B H 0.5771 0.8769 0.3895 0.027 Uiso 1 1 calc R . .
C20 C 0.7102(5) 1.0653(5) 0.4065(2) 0.0287(9) Uani 1 1 d . . .
H20A H 0.6396 1.1408 0.4168 0.034 Uiso 1 1 calc R . .
H20B H 0.7722 1.1197 0.3771 0.034 Uiso 1 1 calc R . .
C21 C 0.7931(5) 1.0117(6) 0.4801(2) 0.0369(11) Uani 1 1 d . . .
H21A H 0.8357 1.1021 0.5077 0.055 Uiso 1 1 calc R . .
H21B H 0.8650 0.9392 0.4703 0.055 Uiso 1 1 calc R . .
H21C H 0.7321 0.9591 0.5099 0.055 Uiso 1 1 calc R . .
C22 C 0.3761(5) 0.7879(4) 0.27060(19) 0.0188(9) Uani 1 1 d . . .
H22A H 0.4203 0.7387 0.3178 0.023 Uiso 1 1 calc R . .
H22B H 0.3376 0.7031 0.2365 0.023 Uiso 1 1 calc R . .
C23 C 0.2563(4) 0.8890(4) 0.2876(2) 0.0203(8) Uani 1 1 d . . .
H23A H 0.2919 0.9761 0.3210 0.024 Uiso 1 1 calc R . .
H23B H 0.2056 0.9333 0.2407 0.024 Uiso 1 1 calc R . .
C24 C 0.1608(4) 0.7870(5) 0.3252(2) 0.0227(9) Uani 1 1 d . . .
H24A H 0.2136 0.7397 0.3708 0.027 Uiso 1 1 calc R . .
H24B H 0.1244 0.7015 0.2910 0.027 Uiso 1 1 calc R . .
C25 C 0.0408(4) 0.8806(5) 0.3462(3) 0.0313(10) Uani 1 1 d . . .
H25A H -0.0183 0.8118 0.3703 0.047 Uiso 1 1 calc R . .
H25B H -0.0127 0.9258 0.3010 0.047 Uiso 1 1 calc R . .
H25C H 0.0765 0.9643 0.3807 0.047 Uiso 1 1 calc R . .
C26 C 0.4250(4) 0.9562(4) 0.16524(19) 0.0201(8) Uani 1 1 d . . .
H26A H 0.5003 1.0089 0.1449 0.024 Uiso 1 1 calc R . .
H26B H 0.3622 1.0381 0.1784 0.024 Uiso 1 1 calc R . .
C27 C 0.3458(5) 0.8540(4) 0.1043(2) 0.0290(10) Uani 1 1 d . . .
H27A H 0.2701 0.8002 0.1238 0.035 Uiso 1 1 calc R . .
H27B H 0.4081 0.7736 0.0892 0.035 Uiso 1 1 calc R . .
C28 C 0.2867(5) 0.9524(5) 0.0365(2) 0.0287(9) Uani 1 1 d . . .
H28A H 0.2318 0.8841 -0.0010 0.034 Uiso 1 1 calc R . .
H28B H 0.2236 1.0311 0.0522 0.034 Uiso 1 1 calc R . .
C29 C 0.3937(7) 1.0348(9) 0.0004(3) 0.077(2) Uani 1 1 d . . .
H29A H 0.3484 1.0966 -0.0419 0.115 Uiso 1 1 calc R . .
H29B H 0.4545 0.9577 -0.0172 0.115 Uiso 1 1 calc R . .
H29C H 0.4480 1.1037 0.0370 0.115 Uiso 1 1 calc R . .
C30 C 0.5840(4) 0.7441(5) 0.2197(2) 0.0199(8) Uani 1 1 d . . .
H30A H 0.5304 0.6660 0.1869 0.024 Uiso 1 1 calc R . .
H30B H 0.6205 0.6912 0.2673 0.024 Uiso 1 1 calc R . .
C31 C 0.7055(4) 0.7941(5) 0.1831(2) 0.0240(8) Uani 1 1 d . . .
H31A H 0.7488 0.8884 0.2081 0.029 Uiso 1 1 calc R . .
H31B H 0.6739 0.8189 0.1298 0.029 Uiso 1 1 calc R . .
C32 C 0.8103(4) 0.6598(5) 0.1900(2) 0.0248(9) Uani 1 1 d . . .
H32A H 0.8490 0.6447 0.2434 0.030 Uiso 1 1 calc R . .
H32B H 0.7620 0.5626 0.1718 0.030 Uiso 1 1 calc R . .
C33 C 0.9275(4) 0.6881(5) 0.1464(2) 0.0298(9) Uani 1 1 d . . .
H33A H 0.9904 0.5988 0.1526 0.045 Uiso 1 1 calc R . .
H33B H 0.9777 0.7825 0.1651 0.045 Uiso 1 1 calc R . .
H33C H 0.8902 0.7014 0.0933 0.045 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt N1 1.958(4) . ?
Pt C13 2.056(4) . ?
Pt C1 2.077(4) . ?
Pt Cl 2.3198(14) . ?
N1 C11 1.349(6) . ?
N1 C7 1.362(6) . ?
C1 C2 1.377(5) . ?
C1 C6 1.420(5) . ?
C2 C3 1.386(6) . ?
C3 C4 1.387(6) . ?
C4 C5 1.398(6) . ?
C5 C6 1.400(5) . ?
C6 C7 1.467(5) . ?
C7 C8 1.392(5) . ?
C8 C9 1.383(6) . ?
C9 C10 1.392(6) . ?
C10 C11 1.395(6) . ?
C11 C12 1.461(5) . ?
C12 C17 1.402(5) . ?
C12 C13 1.425(5) . ?
C13 C14 1.394(5) . ?
C14 C15 1.380(6) . ?
C15 C16 1.371(7) . ?
C16 C17 1.395(6) . ?
N2 C30 1.509(5) . ?
N2 C22 1.513(5) . ?
N2 C26 1.520(5) . ?
N2 C18 1.520(4) . ?
C18 C19 1.506(5) . ?
C19 C20 1.517(5) . ?
C20 C21 1.519(5) . ?
C22 C23 1.534(6) . ?
C23 C24 1.525(5) . ?
C24 C25 1.526(6) . ?
C26 C27 1.523(5) . ?
C27 C28 1.527(6) . ?
C28 C29 1.504(7) . ?
C30 C31 1.521(5) . ?
C31 C32 1.538(5) . ?
C32 C33 1.521(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt C13 81.15(18) . . ?
N1 Pt C1 81.35(17) . . ?
C13 Pt C1 162.40(15) . . ?
N1 Pt Cl 179.25(14) . . ?
C13 Pt Cl 98.45(12) . . ?
C1 Pt Cl 99.03(11) . . ?
C11 N1 C7 123.0(4) . . ?
C11 N1 Pt 118.4(3) . . ?
C7 N1 Pt 118.5(3) . . ?
C2 C1 C6 116.3(3) . . ?
C2 C1 Pt 133.0(3) . . ?
C6 C1 Pt 110.7(3) . . ?
C1 C2 C3 122.4(4) . . ?
C2 C3 C4 120.9(4) . . ?
C3 C4 C5 119.1(4) . . ?
C4 C5 C6 119.0(4) . . ?
C5 C6 C1 122.3(4) . . ?
C5 C6 C7 121.5(3) . . ?
C1 C6 C7 116.2(3) . . ?
N1 C7 C8 119.3(4) . . ?
N1 C7 C6 113.3(3) . . ?
C8 C7 C6 127.4(3) . . ?
C9 C8 C7 119.0(4) . . ?
C8 C9 C10 120.4(4) . . ?
C9 C10 C11 119.5(4) . . ?
N1 C11 C10 118.7(4) . . ?
N1 C11 C12 113.9(4) . . ?
C10 C11 C12 127.4(4) . . ?
C17 C12 C13 121.6(4) . . ?
C17 C12 C11 123.3(4) . . ?
C13 C12 C11 115.1(3) . . ?
C14 C13 C12 116.2(4) . . ?
C14 C13 Pt 132.3(3) . . ?
C12 C13 Pt 111.4(3) . . ?
C15 C14 C13 122.1(4) . . ?
C16 C15 C14 121.2(4) . . ?
C15 C16 C17 119.6(4) . . ?
C16 C17 C12 119.3(4) . . ?
C30 N2 C22 105.6(3) . . ?
C30 N2 C26 111.1(3) . . ?
C22 N2 C26 111.3(3) . . ?
C30 N2 C18 111.4(3) . . ?
C22 N2 C18 111.2(3) . . ?
C26 N2 C18 106.3(3) . . ?
C19 C18 N2 115.8(3) . . ?
C18 C19 C20 109.9(3) . . ?
C19 C20 C21 112.6(3) . . ?
N2 C22 C23 116.4(3) . . ?
C24 C23 C22 108.4(3) . . ?
C23 C24 C25 111.6(3) . . ?
N2 C26 C27 114.9(3) . . ?
C26 C27 C28 110.5(3) . . ?
C29 C28 C27 114.0(4) . . ?
N2 C30 C31 117.1(3) . . ?
C30 C31 C32 108.5(3) . . ?
C33 C32 C31 113.2(3) . . ?

_diffrn_measured_fraction_theta_max 0.923
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.003
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.091
####################################################################### 
# 
# 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_5'_amt989
_database_code_depnum_ccdc_archive 'CCDC 1858215'
_audit_update_record             
;
2018-11-06 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/4
_shelx_SHELXL_version_number     2016/4
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H30 Ag2 N4 Pt2 S2, C H2 Cl2'
_chemical_formula_sum            'C45 H32 Ag2 Cl2 N4 Pt2 S2'
_chemical_formula_weight         1369.68

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'
S S 0.1246 0.1234 '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'
Ag Ag -0.8971 1.1015 '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           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   10.5025(4)
_cell_length_b                   22.8137(11)
_cell_length_c                   16.7653(5)
_cell_angle_alpha                90
_cell_angle_beta                 97.478(3)
_cell_angle_gamma                90
_cell_volume                     3982.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6178
_cell_measurement_theta_min      3.3120
_cell_measurement_theta_max      29.8180

_exptl_crystal_description       needle
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.284
_exptl_crystal_F_000             2584
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    8.251
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.28291
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41r (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_reflns_number            18849
_diffrn_reflns_av_unetI/netI     0.0612
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.317
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0319768000
_diffrn_orient_matrix_UB_12      -0.0024690000
_diffrn_orient_matrix_UB_13      -0.0397981000
_diffrn_orient_matrix_UB_21      -0.0312212000
_diffrn_orient_matrix_UB_22      -0.0258068000
_diffrn_orient_matrix_UB_23      0.0109668000
_diffrn_orient_matrix_UB_31      -0.0513939000
_diffrn_orient_matrix_UB_32      0.0171926000
_diffrn_orient_matrix_UB_33      0.0107341000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -35.00  14.00   1.00  103.98    --  -18.31  77.00 -60.00   49
  2  ω    -17.00  48.00   1.00  103.98    --  -18.31  77.00 -30.00   65
  3  ω     20.00  64.00   1.00  103.98    --   20.34  77.00-180.00   44
  4  ω     -4.00  90.00   1.00  103.98    --   20.34  77.00  90.00   94
;
_reflns_number_total             7788
_reflns_number_gt                6422
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0515P)²+2.2041P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7788
_refine_ls_number_parameters     514
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0429
_refine_ls_wR_factor_ref         0.1026
_refine_ls_wR_factor_gt          0.0950
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
PT1 Pt 0.82810(3) 0.90601(2) 0.54167(2) 0.01882(9) Uani 1 1 d . . . . .
PT2 Pt 0.81638(3) 0.72025(2) 0.69864(2) 0.01511(9) Uani 1 1 d . . . . .
AG1 Ag 0.72994(5) 0.78078(3) 0.53938(3) 0.01923(14) Uani 1 1 d . . . . .
AG2 Ag 0.94816(6) 0.81924(3) 0.65005(3) 0.01981(14) Uani 1 1 d . . . . .
S1 S 0.94880(18) 0.76804(9) 0.51147(12) 0.0185(4) Uani 1 1 d . . . . .
S2 S 0.66141(19) 0.78594(9) 0.72163(12) 0.0219(4) Uani 1 1 d . . . . .
N1 N 0.7421(7) 0.9384(3) 0.6289(4) 0.0242(16) Uani 1 1 d . . . . .
N2 N 0.9213(6) 0.8776(3) 0.4487(4) 0.0206(15) Uani 1 1 d . . . . .
N3 N 0.9669(6) 0.6697(3) 0.6856(4) 0.0174(14) Uani 1 1 d . . . . .
N4 N 0.5359(6) 0.7756(3) 0.5709(4) 0.0179(14) Uani 1 1 d . . . . .
C1 C 0.8139(9) 0.9557(3) 0.6979(5) 0.028(2) Uani 1 1 d . . . . .
C2 C 0.7541(9) 0.9807(4) 0.7580(5) 0.033(2) Uani 1 1 d . . . . .
H2 H 0.803119 0.992462 0.807040 0.040 Uiso 1 1 calc R U . . .
C3 C 0.6238(9) 0.9887(4) 0.7467(5) 0.032(2) Uani 1 1 d . . . . .
H3 H 0.582525 1.006268 0.787850 0.039 Uiso 1 1 calc R U . . .
C4 C 0.5515(8) 0.9711(4) 0.6752(5) 0.029(2) Uani 1 1 d . . . . .
H4 H 0.461013 0.976593 0.667483 0.035 Uiso 1 1 calc R U . . .
C5 C 0.6127(8) 0.9454(3) 0.6151(5) 0.0220(18) Uani 1 1 d . . . . .
C6 C 0.9523(8) 0.9450(4) 0.6979(5) 0.029(2) Uani 1 1 d . . . . .
C7 C 0.9886(8) 0.9203(4) 0.6265(5) 0.027(2) Uani 1 1 d . . . . .
C8 C 1.1193(8) 0.9093(4) 0.6272(6) 0.030(2) Uani 1 1 d . . . . .
H8 H 1.147508 0.892874 0.580447 0.036 Uiso 1 1 calc R U . . .
C9 C 1.2090(10) 0.9212(4) 0.6918(7) 0.045(3) Uani 1 1 d . . . . .
H9 H 1.296944 0.912638 0.689434 0.054 Uiso 1 1 calc R U . . .
C10 C 1.1715(9) 0.9457(4) 0.7613(7) 0.043(3) Uani 1 1 d . . . . .
H10 H 1.233844 0.954013 0.806126 0.051 Uiso 1 1 calc R U . . .
C11 C 1.0439(9) 0.9579(4) 0.7647(6) 0.037(2) Uani 1 1 d . . . . .
H11 H 1.017809 0.974857 0.811690 0.044 Uiso 1 1 calc R U . . .
C12 C 0.5546(8) 0.9255(3) 0.5354(5) 0.0217(18) Uani 1 1 d . . . . .
C13 C 0.6414(8) 0.9037(3) 0.4848(5) 0.0225(18) Uani 1 1 d . . . . .
C14 C 0.5886(8) 0.8848(3) 0.4093(5) 0.0241(18) Uani 1 1 d . . . . .
H14 H 0.644069 0.870347 0.373328 0.029 Uiso 1 1 calc R U . . .
C15 C 0.4560(8) 0.8861(4) 0.3839(5) 0.031(2) Uani 1 1 d . . . . .
H15 H 0.422298 0.872175 0.332098 0.037 Uiso 1 1 calc R U . . .
C16 C 0.3745(9) 0.9083(4) 0.4359(6) 0.031(2) Uani 1 1 d . . . . .
H16 H 0.284484 0.909502 0.419444 0.038 Uiso 1 1 calc R U . . .
C17 C 0.4238(8) 0.9283(4) 0.5105(5) 0.0247(18) Uani 1 1 d . . . . .
H17 H 0.368119 0.944156 0.545319 0.030 Uiso 1 1 calc R U . . .
C18 C 0.9708(7) 0.8232(3) 0.4426(4) 0.0164(16) Uani 1 1 d . . . . .
C19 C 1.0377(7) 0.8090(4) 0.3775(4) 0.0210(18) Uani 1 1 d . . . . .
H19 H 1.069820 0.770494 0.372408 0.025 Uiso 1 1 calc R U . . .
C20 C 1.0563(7) 0.8512(4) 0.3215(5) 0.0223(18) Uani 1 1 d . . . . .
H20 H 1.103785 0.842355 0.278510 0.027 Uiso 1 1 calc R U . . .
C21 C 1.0058(8) 0.9057(4) 0.3283(5) 0.0260(19) Uani 1 1 d . . . . .
H21 H 1.015859 0.934844 0.289163 0.031 Uiso 1 1 calc R U . . .
C22 C 0.9410(8) 0.9181(4) 0.3914(5) 0.027(2) Uani 1 1 d . . . . .
H22 H 0.908052 0.956549 0.395865 0.032 Uiso 1 1 calc R U . . .
C23 C 1.0856(7) 0.6850(4) 0.7239(5) 0.0196(17) Uani 1 1 d . . . . .
C24 C 1.1902(8) 0.6517(4) 0.7107(5) 0.0244(18) Uani 1 1 d . . . . .
H24 H 1.273021 0.661545 0.737066 0.029 Uiso 1 1 calc R U . . .
C25 C 1.1756(9) 0.6039(4) 0.6593(5) 0.030(2) Uani 1 1 d . . . . .
H25 H 1.248261 0.581214 0.650156 0.036 Uiso 1 1 calc R U . . .
C26 C 1.0543(8) 0.5892(4) 0.6213(5) 0.027(2) Uani 1 1 d . . . . .
H26 H 1.043495 0.556625 0.585726 0.033 Uiso 1 1 calc R U . . .
C27 C 0.9475(7) 0.6230(3) 0.6358(4) 0.0191(17) Uani 1 1 d . . . . .
C28 C 1.0799(7) 0.7370(4) 0.7753(5) 0.0201(17) Uani 1 1 d . . . . .
C29 C 0.9603(7) 0.7657(4) 0.7709(4) 0.0196(17) Uani 1 1 d . . . . .
C30 C 0.9514(8) 0.8137(4) 0.8221(5) 0.0228(18) Uani 1 1 d . . . . .
H30 H 0.872710 0.834554 0.820141 0.027 Uiso 1 1 calc R U . . .
C31 C 1.0588(8) 0.8313(4) 0.8765(5) 0.027(2) Uani 1 1 d . . . . .
H31 H 1.052056 0.864013 0.910829 0.033 Uiso 1 1 calc R U . . .
C32 C 1.1723(8) 0.8016(4) 0.8800(5) 0.034(2) Uani 1 1 d . . . . .
H32 H 1.243071 0.812951 0.918073 0.041 Uiso 1 1 calc R U . . .
C33 C 1.1851(8) 0.7552(4) 0.8288(5) 0.0258(19) Uani 1 1 d . . . . .
H33 H 1.265323 0.735732 0.830128 0.031 Uiso 1 1 calc R U . . .
C34 C 0.8115(7) 0.6125(3) 0.6054(4) 0.0182(17) Uani 1 1 d . . . . .
C35 C 0.7246(7) 0.6534(3) 0.6310(4) 0.0186(17) Uani 1 1 d . . . . .
C36 C 0.5935(7) 0.6388(3) 0.6116(4) 0.0189(17) Uani 1 1 d . . . . .
H36 H 0.530721 0.664375 0.628380 0.023 Uiso 1 1 calc R U . . .
C37 C 0.5534(8) 0.5890(3) 0.5694(5) 0.0228(18) Uani 1 1 d . . . . .
H37 H 0.464315 0.580194 0.559427 0.027 Uiso 1 1 calc R U . . .
C38 C 0.6431(8) 0.5510(3) 0.5406(5) 0.0254(19) Uani 1 1 d . . . . .
H38 H 0.615163 0.518213 0.507953 0.030 Uiso 1 1 calc R U . . .
C39 C 0.7716(8) 0.5623(3) 0.5610(5) 0.0244(18) Uani 1 1 d . . . . .
H39 H 0.833664 0.536047 0.544818 0.029 Uiso 1 1 calc R U . . .
C40 C 0.5229(8) 0.7798(3) 0.6509(5) 0.0211(18) Uani 1 1 d . . . . .
C41 C 0.4032(8) 0.7814(3) 0.6757(5) 0.0250(19) Uani 1 1 d . . . . .
H41 H 0.394978 0.785242 0.731221 0.030 Uiso 1 1 calc R U . . .
C42 C 0.2948(8) 0.7774(4) 0.6195(6) 0.030(2) Uani 1 1 d . . . . .
H42 H 0.211604 0.779446 0.635716 0.036 Uiso 1 1 calc R U . . .
C43 C 0.3094(8) 0.7704(4) 0.5391(6) 0.031(2) Uani 1 1 d . . . . .
H43 H 0.236678 0.765694 0.499634 0.037 Uiso 1 1 calc R U . . .
C44 C 0.4297(7) 0.7705(3) 0.5180(5) 0.0219(18) Uani 1 1 d . . . . .
H44 H 0.439022 0.766708 0.462643 0.026 Uiso 1 1 calc R U . . .
CL1 Cl 1.0335(3) 0.41117(16) 0.6015(2) 0.0703(10) Uani 1 1 d . . . . .
CL2 Cl 0.7616(2) 0.39734(13) 0.55157(15) 0.0480(7) Uani 1 1 d . . . . .
C45 C 0.9044(10) 0.3619(4) 0.5881(6) 0.046(3) Uani 1 1 d . . . . .
H45A H 0.922439 0.330918 0.549827 0.055 Uiso 1 1 calc R U . . .
H45B H 0.895009 0.342998 0.640150 0.055 Uiso 1 1 calc R U . . .


_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 N1 1.960(7) . ?
PT1 N2 2.051(6) . ?
PT1 C13 2.067(8) . ?
PT1 C7 2.084(8) . ?
PT1 AG2 2.8659(7) . ?
PT1 AG1 3.0360(7) . ?
PT2 N3 1.991(6) . ?
PT2 C35 2.063(8) . ?
PT2 C29 2.085(7) . ?
PT2 S2 2.282(2) . ?
PT2 AG2 2.8237(7) . ?
PT2 AG1 3.0380(7) . ?
AG1 N4 2.174(6) . ?
AG1 S1 2.422(2) . ?
AG1 AG2 2.8910(8) . ?
AG2 C29 2.355(8) . ?
AG2 C7 2.386(8) . ?
AG2 S1 2.601(2) . ?
S1 C18 1.743(8) . ?
S2 C40 1.759(8) . ?
N1 C1 1.355(10) . ?
N1 C5 1.358(10) . ?
N2 C18 1.355(9) . ?
N2 C22 1.367(10) . ?
N3 C27 1.353(10) . ?
N3 C23 1.371(9) . ?
N4 C44 1.337(10) . ?
N4 C40 1.368(10) . ?
C1 C2 1.379(12) . ?
C1 C6 1.474(12) . ?
C2 C3 1.369(13) . ?
C3 C4 1.392(12) . ?
C4 C5 1.393(11) . ?
C5 C12 1.467(11) . ?
C6 C11 1.408(12) . ?
C6 C7 1.421(12) . ?
C7 C8 1.395(12) . ?
C8 C9 1.367(13) . ?
C9 C10 1.394(15) . ?
C10 C11 1.377(13) . ?
C12 C17 1.384(11) . ?
C12 C13 1.414(11) . ?
C13 C14 1.383(11) . ?
C14 C15 1.402(11) . ?
C15 C16 1.393(12) . ?
C16 C17 1.369(12) . ?
C18 C19 1.410(10) . ?
C19 C20 1.376(11) . ?
C20 C21 1.362(11) . ?
C21 C22 1.360(12) . ?
C23 C24 1.377(11) . ?
C23 C28 1.472(11) . ?
C24 C25 1.386(12) . ?
C25 C26 1.389(12) . ?
C26 C27 1.409(11) . ?
C27 C34 1.472(10) . ?
C28 C33 1.393(11) . ?
C28 C29 1.410(11) . ?
C29 C30 1.403(11) . ?
C30 C31 1.414(11) . ?
C31 C32 1.366(12) . ?
C32 C33 1.381(13) . ?
C34 C39 1.400(11) . ?
C34 C35 1.410(11) . ?
C35 C36 1.413(10) . ?
C36 C37 1.375(11) . ?
C37 C38 1.412(11) . ?
C38 C39 1.373(11) . ?
C40 C41 1.375(11) . ?
C41 C42 1.383(12) . ?
C42 C43 1.384(13) . ?
C43 C44 1.355(12) . ?
CL1 C45 1.752(11) . ?
CL2 C45 1.744(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 PT1 N2 176.3(3) . . ?
N1 PT1 C13 81.5(3) . . ?
N2 PT1 C13 99.1(3) . . ?
N1 PT1 C7 81.0(3) . . ?
N2 PT1 C7 98.3(3) . . ?
C13 PT1 C7 162.4(3) . . ?
N1 PT1 AG2 89.70(19) . . ?
N2 PT1 AG2 92.87(18) . . ?
C13 PT1 AG2 126.0(2) . . ?
C7 PT1 AG2 54.9(2) . . ?
N1 PT1 AG1 100.10(19) . . ?
N2 PT1 AG1 83.58(18) . . ?
C13 PT1 AG1 70.7(2) . . ?
C7 PT1 AG1 113.5(2) . . ?
AG2 PT1 AG1 58.576(17) . . ?
N3 PT2 C35 80.4(3) . . ?
N3 PT2 C29 79.9(3) . . ?
C35 PT2 C29 159.7(3) . . ?
N3 PT2 S2 173.00(19) . . ?
C35 PT2 S2 106.6(2) . . ?
C29 PT2 S2 93.1(2) . . ?
N3 PT2 AG2 90.30(17) . . ?
C35 PT2 AG2 130.1(2) . . ?
C29 PT2 AG2 54.9(2) . . ?
S2 PT2 AG2 84.87(6) . . ?
N3 PT2 AG1 108.50(17) . . ?
C35 PT2 AG1 77.8(2) . . ?
C29 PT2 AG1 113.3(2) . . ?
S2 PT2 AG1 73.25(5) . . ?
AG2 PT2 AG1 58.968(17) . . ?
N4 AG1 S1 169.59(17) . . ?
N4 AG1 AG2 123.38(17) . . ?
S1 AG1 AG2 57.82(5) . . ?
N4 AG1 PT1 112.07(16) . . ?
S1 AG1 PT1 77.65(5) . . ?
AG2 AG1 PT1 57.772(17) . . ?
N4 AG1 PT2 86.77(17) . . ?
S1 AG1 PT2 86.14(5) . . ?
AG2 AG1 PT2 56.816(17) . . ?
PT1 AG1 PT2 110.764(19) . . ?
C29 AG2 C7 130.8(3) . . ?
C29 AG2 S1 121.9(2) . . ?
C7 AG2 S1 105.3(2) . . ?
C29 AG2 PT2 46.40(19) . . ?
C7 AG2 PT2 157.7(2) . . ?
S1 AG2 PT2 87.53(5) . . ?
C29 AG2 PT1 150.9(2) . . ?
C7 AG2 PT1 45.6(2) . . ?
S1 AG2 PT1 78.23(5) . . ?
PT2 AG2 PT1 122.93(2) . . ?
C29 AG2 AG1 110.13(19) . . ?
C7 AG2 AG1 109.3(2) . . ?
S1 AG2 AG1 52.01(4) . . ?
PT2 AG2 AG1 64.216(18) . . ?
PT1 AG2 AG1 63.652(18) . . ?
C18 S1 AG1 104.6(3) . . ?
C18 S1 AG2 106.4(3) . . ?
AG1 S1 AG2 70.17(5) . . ?
C40 S2 PT2 112.3(3) . . ?
C1 N1 C5 123.0(7) . . ?
C1 N1 PT1 119.2(6) . . ?
C5 N1 PT1 117.8(5) . . ?
C18 N2 C22 118.1(7) . . ?
C18 N2 PT1 124.9(5) . . ?
C22 N2 PT1 116.9(5) . . ?
C27 N3 C23 122.9(7) . . ?
C27 N3 PT2 117.7(5) . . ?
C23 N3 PT2 119.3(5) . . ?
C44 N4 C40 118.4(7) . . ?
C44 N4 AG1 124.8(5) . . ?
C40 N4 AG1 116.8(5) . . ?
N1 C1 C2 119.2(8) . . ?
N1 C1 C6 113.1(7) . . ?
C2 C1 C6 127.7(8) . . ?
C3 C2 C1 119.7(8) . . ?
C2 C3 C4 120.3(8) . . ?
C3 C4 C5 119.5(8) . . ?
N1 C5 C4 118.2(8) . . ?
N1 C5 C12 114.0(7) . . ?
C4 C5 C12 127.8(8) . . ?
C11 C6 C7 121.5(9) . . ?
C11 C6 C1 122.5(9) . . ?
C7 C6 C1 116.0(7) . . ?
C8 C7 C6 115.8(8) . . ?
C8 C7 PT1 133.3(7) . . ?
C6 C7 PT1 110.8(6) . . ?
C8 C7 AG2 91.3(5) . . ?
C6 C7 AG2 99.8(6) . . ?
PT1 C7 AG2 79.4(3) . . ?
C9 C8 C7 123.2(10) . . ?
C8 C9 C10 120.1(10) . . ?
C11 C10 C9 119.9(9) . . ?
C10 C11 C6 119.5(9) . . ?
C17 C12 C13 121.8(7) . . ?
C17 C12 C5 122.6(8) . . ?
C13 C12 C5 115.6(7) . . ?
C14 C13 C12 116.5(7) . . ?
C14 C13 PT1 132.4(6) . . ?
C12 C13 PT1 111.2(6) . . ?
C13 C14 C15 122.3(8) . . ?
C16 C15 C14 119.1(8) . . ?
C17 C16 C15 120.1(8) . . ?
C16 C17 C12 120.2(8) . . ?
N2 C18 C19 120.1(7) . . ?
N2 C18 S1 121.8(6) . . ?
C19 C18 S1 118.0(6) . . ?
C20 C19 C18 119.9(8) . . ?
C21 C20 C19 119.3(8) . . ?
C22 C21 C20 119.6(8) . . ?
C21 C22 N2 122.9(8) . . ?
N3 C23 C24 118.7(7) . . ?
N3 C23 C28 112.0(7) . . ?
C24 C23 C28 129.2(7) . . ?
C23 C24 C25 120.6(8) . . ?
C24 C25 C26 119.7(8) . . ?
C25 C26 C27 119.5(8) . . ?
N3 C27 C26 118.6(7) . . ?
N3 C27 C34 113.8(7) . . ?
C26 C27 C34 127.5(7) . . ?
C33 C28 C29 121.4(8) . . ?
C33 C28 C23 121.9(7) . . ?
C29 C28 C23 116.6(7) . . ?
C30 C29 C28 117.4(7) . . ?
C30 C29 PT2 130.0(6) . . ?
C28 C29 PT2 111.9(6) . . ?
C30 C29 AG2 96.9(5) . . ?
C28 C29 AG2 103.6(5) . . ?
PT2 C29 AG2 78.7(2) . . ?
C29 C30 C31 120.4(8) . . ?
C32 C31 C30 120.4(8) . . ?
C31 C32 C33 120.6(8) . . ?
C32 C33 C28 119.8(8) . . ?
C39 C34 C35 122.9(7) . . ?
C39 C34 C27 121.8(7) . . ?
C35 C34 C27 115.0(7) . . ?
C34 C35 C36 115.1(7) . . ?
C34 C35 PT2 112.5(5) . . ?
C36 C35 PT2 132.2(6) . . ?
C37 C36 C35 122.5(8) . . ?
C36 C37 C38 120.7(7) . . ?
C39 C38 C37 118.5(7) . . ?
C38 C39 C34 120.2(8) . . ?
N4 C40 C41 120.7(7) . . ?
N4 C40 S2 119.1(6) . . ?
C41 C40 S2 120.2(7) . . ?
C40 C41 C42 119.7(8) . . ?
C41 C42 C43 119.0(8) . . ?
C44 C43 C42 118.6(8) . . ?
N4 C44 C43 123.5(8) . . ?
CL2 C45 CL1 111.4(5) . . ?

_refine_diff_density_max         2.100
_refine_diff_density_min         -2.353
_refine_diff_density_rms         0.230

####################################################################### 
# 
# 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_4_amt890
_database_code_depnum_ccdc_archive 'CCDC 1858214'
_audit_update_record             
;
2019-02-05 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C72 H44 Ag4 N8 Pt4, 3(C3 H7 N O)'
_chemical_formula_sum            'C81 H65 Ag4 N11 O3 Pt4'
_chemical_formula_weight         2452.28

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   22.7941(4)
_cell_length_b                   14.0196(2)
_cell_length_c                   24.1626(5)
_cell_angle_alpha                90
_cell_angle_beta                 112.702(2)
_cell_angle_gamma                90
_cell_volume                     7123.3(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    21942
_cell_measurement_theta_min      4.3380
_cell_measurement_theta_max      29.2000

_exptl_crystal_description       plate
_exptl_crystal_colour            'translucent intense red'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.287
_exptl_crystal_F_000             4608
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.3200
_exptl_crystal_size_mid          0.2700
_exptl_crystal_size_min          0.0300
_exptl_absorpt_coefficient_mu    8.958
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.25218
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
'Thu Apr 16 11:20:49 2015'
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_reflns_number            60680
_diffrn_reflns_av_unetI/netI     0.0460
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         4.355
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             15948
_reflns_number_gt                13041
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       
;
'Thu Apr 16 11:20:49 2015'
;
_computing_cell_refinement       
;
'Thu Apr 16 11:20:49 2015'
;
_computing_data_reduction        
;
'Thu Apr 16 11:20:49 2015'
;
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0354P)²+8.7357P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15948
_refine_ls_number_parameters     1167
_refine_ls_number_restraints     594
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0340
_refine_ls_wR_factor_ref         0.0807
_refine_ls_wR_factor_gt          0.0728
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.42777(2) 0.71785(3) 1.04275(2) 0.03620(11) Uani 1 1 d . . . . .
Ag2 Ag 0.34517(2) 0.82915(3) 1.11984(2) 0.03663(12) Uani 1 1 d . . . . .
Ag3 Ag 0.24479(2) 0.52256(3) 1.02969(2) 0.02477(9) Uani 1 1 d . . . . .
Ag4 Ag 0.19352(2) 0.71240(3) 0.93897(2) 0.02895(10) Uani 1 1 d . . . . .
Pt1A Pt 0.44800(2) 0.69433(2) 1.16717(2) 0.02475(6) Uani 1 1 d D . . . .
N1A N 0.5210(2) 0.7809(3) 1.2115(2) 0.0299(11) Uani 1 1 d D . . . .
C1A C 0.5756(2) 0.7694(4) 1.2017(3) 0.0304(13) Uani 1 1 d D . . . .
C2A C 0.6294(3) 0.8209(4) 1.2380(3) 0.0391(16) Uani 1 1 d D . . . .
H2A H 0.6681 0.8152 1.2320 0.047 Uiso 1 1 calc R U . . .
C3A C 0.6261(3) 0.8802(5) 1.2825(3) 0.0459(18) Uani 1 1 d D . . . .
H3A H 0.6626 0.9145 1.3075 0.055 Uiso 1 1 calc R U . . .
C4A C 0.5696(3) 0.8893(4) 1.2903(3) 0.0419(16) Uani 1 1 d D . . . .
H4A H 0.5669 0.9309 1.3204 0.050 Uiso 1 1 calc R U . . .
C5A C 0.5167(3) 0.8380(4) 1.2545(3) 0.0342(14) Uani 1 1 d D . . . .
C6A C 0.5708(3) 0.6978(4) 1.1561(3) 0.0330(14) Uani 1 1 d D . . . .
C7A C 0.5123(3) 0.6460(4) 1.1320(2) 0.0269(12) Uani 1 1 d D . . . .
C8A C 0.5090(3) 0.5726(4) 1.0916(3) 0.0348(14) Uani 1 1 d D . . . .
H8A H 0.4710 0.5363 1.0746 0.042 Uiso 1 1 calc R U . . .
C9A C 0.5603(3) 0.5515(5) 1.0757(3) 0.0427(17) Uani 1 1 d D . . . .
H9A H 0.5569 0.5007 1.0486 0.051 Uiso 1 1 calc R U . . .
C10A C 0.6156(3) 0.6034(5) 1.0987(3) 0.0503(19) Uani 1 1 d D . . . .
H10A H 0.6498 0.5898 1.0868 0.060 Uiso 1 1 calc R U . . .
C11A C 0.6210(3) 0.6760(5) 1.1397(3) 0.0416(16) Uani 1 1 d D . . . .
H11A H 0.6596 0.7110 1.1565 0.050 Uiso 1 1 calc R U . . .
C12A C 0.4545(3) 0.8323(5) 1.2596(3) 0.0411(16) Uani 1 1 d D . . . .
C13A C 0.4106(3) 0.7649(4) 1.2215(3) 0.0316(13) Uani 1 1 d D . . . .
C14A C 0.3546(3) 0.7524(5) 1.2306(3) 0.0435(17) Uani 1 1 d D . . . .
H14A H 0.3241 0.7079 1.2063 0.052 Uiso 1 1 calc R U . . .
C15A C 0.3420(3) 0.8033(7) 1.2743(3) 0.067(3) Uani 1 1 d D . . . .
H15A H 0.3036 0.7916 1.2798 0.081 Uiso 1 1 calc R U . . .
C16A C 0.3834(4) 0.8691(7) 1.3090(4) 0.073(3) Uani 1 1 d D U . . .
H16A H 0.3737 0.9047 1.3379 0.088 Uiso 1 1 calc R U . . .
C17A C 0.4405(3) 0.8834(6) 1.3016(4) 0.065(3) Uani 1 1 d D . . . .
H17A H 0.4701 0.9291 1.3258 0.078 Uiso 1 1 calc R U . . .
C18A C 0.3779(3) 0.6079(4) 1.1275(2) 0.0283(12) Uani 1 1 d D . . . .
N2A N 0.3359(2) 0.5566(3) 1.1039(2) 0.0284(10) Uani 1 1 d D . . . .
Pt1B Pt 0.38413(11) 0.92357(9) 1.03900(4) 0.0262(2) Uani 0.531(5) 1 d D . P A 1
N1B N 0.4620(4) 0.9821(7) 1.1008(4) 0.032(2) Uani 0.531(5) 1 d D U P A 1
C1B C 0.5185(5) 0.9641(9) 1.0960(5) 0.032(3) Uani 0.531(5) 1 d D U P A 1
C2B C 0.5726(6) 1.0066(10) 1.1393(6) 0.050(4) Uani 0.531(5) 1 d D U P A 1
H2B H 0.6131 0.9989 1.1373 0.060 Uiso 0.531(5) 1 calc R U P A 1
C3B C 0.5664(7) 1.0596(18) 1.1847(9) 0.047(3) Uani 0.531(5) 1 d D U P A 1
H3B H 0.6036 1.0847 1.2151 0.057 Uiso 0.531(5) 1 calc R U P A 1
C4B C 0.5082(5) 1.0774(9) 1.1875(5) 0.044(3) Uani 0.531(5) 1 d D U P A 1
H4B H 0.5045 1.1160 1.2183 0.052 Uiso 0.531(5) 1 calc R U P A 1
C5B C 0.4556(6) 1.0368(11) 1.1437(6) 0.032(3) Uani 0.531(5) 1 d D U P A 1
C6B C 0.5137(5) 0.9060(10) 1.0445(5) 0.039(3) Uani 0.531(5) 1 d D U P A 1
C7B C 0.4511(5) 0.8733(10) 1.0080(5) 0.029(2) Uani 0.531(5) 1 d D U P A 1
C8B C 0.4484(7) 0.8228(11) 0.9576(7) 0.038(4) Uani 0.531(5) 1 d D U P A 1
H8B H 0.4078 0.8030 0.9300 0.045 Uiso 0.531(5) 1 calc R U P A 1
C9B C 0.5008(6) 0.7993(10) 0.9447(6) 0.040(4) Uani 0.531(5) 1 d D U P A 1
H9B H 0.4950 0.7629 0.9098 0.048 Uiso 0.531(5) 1 calc R U P A 1
C10B C 0.5608(7) 0.8276(12) 0.9815(7) 0.046(4) Uani 0.531(5) 1 d D U P A 1
H10B H 0.5972 0.8094 0.9740 0.055 Uiso 0.531(5) 1 calc R U P A 1
C11B C 0.5660(6) 0.8850(11) 1.0311(6) 0.044(3) Uani 0.531(5) 1 d D U P A 1
H11B H 0.6064 0.9099 1.0559 0.053 Uiso 0.531(5) 1 calc R U P A 1
C12B C 0.3888(5) 1.0511(8) 1.1357(4) 0.030(3) Uani 0.531(5) 1 d D U P A 1
C13B C 0.3424(6) 1.0013(9) 1.0878(5) 0.028(3) Uani 0.531(5) 1 d D U P A 1
C14B C 0.2781(6) 1.0170(7) 1.0773(5) 0.028(3) Uani 0.531(5) 1 d D U P A 1
H14B H 0.2461 0.9830 1.0462 0.033 Uiso 0.531(5) 1 calc R U P A 1
C15B C 0.2607(6) 1.0821(7) 1.1120(5) 0.032(3) Uani 0.531(5) 1 d D U P A 1
H15B H 0.2170 1.0929 1.1039 0.039 Uiso 0.531(5) 1 calc R U P A 1
C16B C 0.3060(6) 1.1301(9) 1.1572(6) 0.045(3) Uani 0.531(5) 1 d D U P A 1
H16B H 0.2936 1.1746 1.1803 0.054 Uiso 0.531(5) 1 calc R U P A 1
C17B C 0.3716(7) 1.1147(13) 1.1706(7) 0.038(4) Uani 0.531(5) 1 d D U P A 1
H17B H 0.4031 1.1473 1.2030 0.045 Uiso 0.531(5) 1 calc R U P A 1
C18B C 0.3062(6) 0.8631(18) 0.9858(10) 0.026(2) Uani 0.531(5) 1 d D U P A 1
N2B N 0.2565(11) 0.829(3) 0.9564(19) 0.028(3) Uani 0.469(5) 1 d D U P A 1
Pt1Z Pt 0.40650(12) 0.90524(12) 1.03910(4) 0.0265(3) Uani 0.469(5) 1 d D . P A
2
N1Z N 0.4915(5) 0.9550(9) 1.0948(5) 0.032(2) Uani 0.469(5) 1 d D U P A 2
C1Z C 0.5424(5) 0.9332(9) 1.0818(5) 0.029(3) Uani 0.469(5) 1 d D U P A 2
C2Z C 0.6014(6) 0.9718(10) 1.1197(6) 0.046(4) Uani 0.469(5) 1 d D U P A 2
H2Z H 0.6387 0.9588 1.1124 0.055 Uiso 0.469(5) 1 calc R U P A 2
C3Z C 0.6047(6) 1.0284(10) 1.1673(6) 0.047(4) Uani 0.469(5) 1 d D U P A 2
H3Z H 0.6445 1.0542 1.1929 0.056 Uiso 0.469(5) 1 calc R U P A 2
C4Z C 0.5506(7) 1.048(2) 1.1786(11) 0.047(3) Uani 0.469(5) 1 d D U P A 2
H4Z H 0.5533 1.0876 1.2115 0.057 Uiso 0.469(5) 1 calc R U P A 2
C5Z C 0.4928(6) 1.0104(8) 1.1413(5) 0.031(3) Uani 0.469(5) 1 d D U P A 2
C6Z C 0.5285(6) 0.8729(11) 1.0289(6) 0.039(4) Uani 0.469(5) 1 d D U P A 2
C7Z C 0.4633(5) 0.8473(11) 0.9977(6) 0.029(2) Uani 0.469(5) 1 d D U P A 2
C8Z C 0.4485(6) 0.7929(12) 0.9455(7) 0.029(4) Uani 0.469(5) 1 d D U P A 2
H8Z H 0.4056 0.7751 0.9233 0.035 Uiso 0.469(5) 1 calc R U P A 2
C9Z C 0.4950(6) 0.7645(11) 0.9256(7) 0.033(4) Uani 0.469(5) 1 d D U P A 2
H9Z H 0.4836 0.7268 0.8903 0.040 Uiso 0.469(5) 1 calc R U P A 2
C10Z C 0.5573(6) 0.7896(12) 0.9559(7) 0.047(4) Uani 0.469(5) 1 d D U P A 2
H10Z H 0.5888 0.7686 0.9420 0.057 Uiso 0.469(5) 1 calc R U P A 2
C11Z C 0.5744(6) 0.8466(12) 1.0077(7) 0.032(4) Uani 0.469(5) 1 d D U P A 2
H11Z H 0.6172 0.8668 1.0279 0.038 Uiso 0.469(5) 1 calc R U P A 2
C12Z C 0.4295(6) 1.0310(12) 1.1418(6) 0.032(4) Uani 0.469(5) 1 d D U P A 2
C13Z C 0.3774(6) 0.9874(8) 1.0951(5) 0.028(3) Uani 0.469(5) 1 d D U P A 2
C14Z C 0.3161(7) 1.0085(10) 1.0922(6) 0.026(3) Uani 0.469(5) 1 d D U P A 2
H14Z H 0.2800 0.9817 1.0613 0.031 Uiso 0.469(5) 1 calc R U P A 2
C15Z C 0.3077(7) 1.0688(10) 1.1346(6) 0.043(4) Uani 0.469(5) 1 d D U P A 2
H15Z H 0.2658 1.0830 1.1316 0.052 Uiso 0.469(5) 1 calc R U P A 2
C16Z C 0.3576(8) 1.1074(17) 1.1798(9) 0.048(6) Uani 0.469(5) 1 d D U P A 2
H16Z H 0.3508 1.1485 1.2080 0.057 Uiso 0.469(5) 1 calc R U P A 2
C17Z C 0.4202(7) 1.0862(9) 1.1851(6) 0.041(3) Uani 0.469(5) 1 d D U P A 2
H17Z H 0.4556 1.1099 1.2181 0.049 Uiso 0.469(5) 1 calc R U P A 2
C18Z C 0.3232(6) 0.860(2) 0.9882(11) 0.026(2) Uani 0.469(5) 1 d D U P A 2
N2Z N 0.2712(9) 0.829(3) 0.9637(16) 0.028(3) Uani 0.531(5) 1 d D . P A 2
Pt1C Pt 0.14031(2) 0.63394(2) 1.02097(2) 0.02449(6) Uani 1 1 d . . . . .
N1C N 0.0777(2) 0.5323(3) 0.9766(2) 0.0271(10) Uani 1 1 d . . . . .
C1C C 0.0310(3) 0.5571(5) 0.9234(2) 0.0353(15) Uani 1 1 d . . . . .
C2C C -0.0160(3) 0.4908(6) 0.8945(3) 0.0441(17) Uani 1 1 d . . . . .
H2C H -0.0495 0.5062 0.8575 0.053 Uiso 1 1 calc R U . . .
C3C C -0.0135(3) 0.4012(6) 0.9205(3) 0.0434(17) Uani 1 1 d . . . . .
H3C H -0.0453 0.3551 0.9008 0.052 Uiso 1 1 calc R U . . .
C4C C 0.0350(3) 0.3791(5) 0.9746(3) 0.0370(15) Uani 1 1 d . . . . .
H4C H 0.0369 0.3179 0.9921 0.044 Uiso 1 1 calc R U . . .
C5C C 0.0810(2) 0.4472(4) 1.0030(2) 0.0268(12) Uani 1 1 d . . . . .
C6C C 0.0363(3) 0.6549(5) 0.9050(3) 0.0391(16) Uani 1 1 d . . . . .
C7C C 0.0865(3) 0.7113(5) 0.9452(3) 0.0365(15) Uani 1 1 d . . . . .
C8C C 0.0894(4) 0.8081(5) 0.9298(4) 0.051(2) Uani 1 1 d . . . . .
H8C H 0.1222 0.8477 0.9560 0.061 Uiso 1 1 calc R U . . .
C9C C 0.0451(4) 0.8465(7) 0.8770(4) 0.067(2) Uani 1 1 d . U . . .
H9C H 0.0483 0.9113 0.8669 0.081 Uiso 1 1 calc R U . . .
C10C C -0.0020(4) 0.7918(7) 0.8406(4) 0.074(3) Uani 1 1 d . U . . .
H10C H -0.0321 0.8188 0.8049 0.089 Uiso 1 1 calc R U . . .
C11C C -0.0085(3) 0.6963(6) 0.8535(3) 0.059(2) Uani 1 1 d . U . . .
H11C H -0.0432 0.6596 0.8274 0.070 Uiso 1 1 calc R U . . .
C12C C 0.1312(2) 0.4425(4) 1.0640(2) 0.0242(11) Uani 1 1 d . . . . .
C13C C 0.1682(2) 0.5268(4) 1.0851(2) 0.0238(11) Uani 1 1 d . . . . .
C14C C 0.2093(3) 0.5286(4) 1.1450(2) 0.0281(12) Uani 1 1 d . . . . .
H14C H 0.2347 0.5836 1.1605 0.034 Uiso 1 1 calc R U . . .
C15C C 0.2140(3) 0.4515(5) 1.1826(3) 0.0340(14) Uani 1 1 d . . . . .
H15C H 0.2406 0.4558 1.2240 0.041 Uiso 1 1 calc R U . . .
C16C C 0.1803(3) 0.3684(4) 1.1603(3) 0.0363(15) Uani 1 1 d . . . . .
H16C H 0.1859 0.3146 1.1858 0.044 Uiso 1 1 calc R U . . .
C17C C 0.1386(3) 0.3636(4) 1.1013(3) 0.0308(13) Uani 1 1 d . . . . .
H17C H 0.1151 0.3069 1.0860 0.037 Uiso 1 1 calc R U . . .
Pt1D Pt 0.22651(2) 0.53752(2) 0.90247(2) 0.02278(6) Uani 1 1 d . . . . .
N1D N 0.1394(2) 0.4855(4) 0.8550(2) 0.0305(11) Uani 1 1 d . . . . .
C1D C 0.1004(3) 0.5366(5) 0.8080(3) 0.0335(14) Uani 1 1 d . . . . .
C2D C 0.0421(3) 0.4975(6) 0.7738(3) 0.0496(19) Uani 1 1 d . . . . .
H2D H 0.0133 0.5323 0.7407 0.060 Uiso 1 1 calc R U . . .
C3D C 0.0252(4) 0.4087(7) 0.7869(3) 0.059(2) Uani 1 1 d . . . . .
H3D H -0.0152 0.3827 0.7630 0.071 Uiso 1 1 calc R U . . .
C4D C 0.0665(4) 0.3579(6) 0.8342(3) 0.052(2) Uani 1 1 d . . . . .
H4D H 0.0554 0.2960 0.8429 0.062 Uiso 1 1 calc R U . . .
C5D C 0.1252(3) 0.3979(4) 0.8695(3) 0.0362(14) Uani 1 1 d . . . . .
C6D C 0.1280(3) 0.6265(4) 0.7991(3) 0.0332(14) Uani 1 1 d . . . . .
C7D C 0.1911(3) 0.6457(4) 0.8404(3) 0.0291(13) Uani 1 1 d . . . . .
C8D C 0.2194(3) 0.7295(4) 0.8297(3) 0.0331(14) Uani 1 1 d . . . . .
H8D H 0.2616 0.7455 0.8554 0.040 Uiso 1 1 calc R U . . .
C9D C 0.1854(4) 0.7898(5) 0.7811(3) 0.0448(18) Uani 1 1 d . . . . .
H9D H 0.2051 0.8460 0.7746 0.054 Uiso 1 1 calc R U . . .
C10D C 0.1250(4) 0.7689(6) 0.7434(3) 0.050(2) Uani 1 1 d . . . . .
H10D H 0.1029 0.8106 0.7110 0.061 Uiso 1 1 calc R U . . .
C11D C 0.0954(3) 0.6874(5) 0.7519(3) 0.0451(18) Uani 1 1 d . . . . .
H11D H 0.0531 0.6731 0.7256 0.054 Uiso 1 1 calc R U . . .
C12D C 0.1758(3) 0.3561(4) 0.9224(3) 0.0397(16) Uani 1 1 d . . . . .
C13D C 0.2335(3) 0.4079(4) 0.9468(3) 0.0315(13) Uani 1 1 d . . . . .
C14D C 0.2837(3) 0.3655(4) 0.9947(3) 0.0404(16) Uani 1 1 d . . . . .
H14D H 0.3236 0.3970 1.0112 0.048 Uiso 1 1 calc R U . . .
C15D C 0.2757(5) 0.2783(6) 1.0182(4) 0.067(3) Uani 1 1 d . . . . .
H15D H 0.3098 0.2514 1.0512 0.080 Uiso 1 1 calc R U . . .
C16D C 0.2181(6) 0.2305(5) 0.9936(4) 0.078(3) Uani 1 1 d . . . . .
H16D H 0.2125 0.1718 1.0106 0.094 Uiso 1 1 calc R U . . .
C17D C 0.1688(5) 0.2673(5) 0.9447(4) 0.063(2) Uani 1 1 d . . . . .
H17D H 0.1304 0.2323 0.9264 0.076 Uiso 1 1 calc R U . . .
N2C N 0.2436(3) 0.7812(3) 1.0911(2) 0.0360(12) Uani 1 1 d . . . . .
C18C C 0.2040(3) 0.7288(4) 1.0653(3) 0.0298(13) Uani 1 1 d . . . . .
N2D N 0.3601(2) 0.6214(4) 0.9750(2) 0.0322(11) Uani 1 1 d . . . . .
C18D C 0.3105(3) 0.5901(4) 0.9477(2) 0.0255(12) Uani 1 1 d . . . . .
N3A N 0.1959(3) 0.4772(5) 0.7114(3) 0.0526(16) Uani 1 1 d . . . . .
C19A C 0.1420(9) 0.4316(13) 0.6806(8) 0.055(4) Uani 0.565(9) 1 d . . P B 1
H19A H 0.1367 0.3722 0.6970 0.066 Uiso 0.565(9) 1 calc R U P B 1
O1A O 0.0996(5) 0.4541(9) 0.6356(5) 0.088(3) Uani 0.565(9) 1 d . U P B 1
C20A C 0.1897(13) 0.562(3) 0.6786(19) 0.065(6) Uani 0.565(9) 1 d . U P B 1
H20D H 0.1514 0.5589 0.6416 0.098 Uiso 0.565(9) 1 calc R U P B 1
H20E H 0.2271 0.5708 0.6686 0.098 Uiso 0.565(9) 1 calc R U P B 1
H20F H 0.1862 0.6164 0.7028 0.098 Uiso 0.565(9) 1 calc R U P B 1
C21A C 0.251(3) 0.464(3) 0.764(3) 0.056(6) Uani 0.565(9) 1 d . U P B 1
H21D H 0.2887 0.4626 0.7542 0.084 Uiso 0.565(9) 1 calc R U P B 1
H21E H 0.2478 0.4044 0.7837 0.084 Uiso 0.565(9) 1 calc R U P B 1
H21F H 0.2550 0.5176 0.7919 0.084 Uiso 0.565(9) 1 calc R U P B 1
C19Z C 0.1520(12) 0.4038(17) 0.7037(10) 0.055(4) Uani 0.435(9) 1 d . U P B 2
H19Z H 0.1139 0.4107 0.6690 0.066 Uiso 0.435(9) 1 calc R U P B 2
O1Z O 0.1534(7) 0.3305(12) 0.7339(7) 0.088(3) Uani 0.435(9) 1 d . U P B 2
C20Z C 0.2082(19) 0.568(5) 0.686(3) 0.065(6) Uani 0.435(9) 1 d . U P B 2
H20M H 0.1737 0.5791 0.6467 0.098 Uiso 0.435(9) 1 calc R U P B 2
H20N H 0.2487 0.5625 0.6804 0.098 Uiso 0.435(9) 1 calc R U P B 2
H20O H 0.2104 0.6204 0.7129 0.098 Uiso 0.435(9) 1 calc R U P B 2
C21Z C 0.246(4) 0.445(4) 0.766(4) 0.056(6) Uani 0.435(9) 1 d . U P B 2
H21M H 0.2422 0.3763 0.7701 0.084 Uiso 0.435(9) 1 calc R U P B 2
H21N H 0.2427 0.4782 0.8002 0.084 Uiso 0.435(9) 1 calc R U P B 2
H21O H 0.2873 0.4596 0.7639 0.084 Uiso 0.435(9) 1 calc R U P B 2
N3B N 0.0305(6) 0.1136(14) 0.9643(8) 0.046(3) Uani 0.613(9) 1 d . U P C 1
O1B O 0.0420(4) 0.1149(5) 0.8729(4) 0.051(2) Uani 0.613(9) 1 d . U P C 1
C19B C 0.0099(7) 0.1247(9) 0.9025(6) 0.053(3) Uani 0.613(9) 1 d . U P C 1
H19D H -0.0335 0.1416 0.8814 0.063 Uiso 0.613(9) 1 calc R U P C 1
C20B C 0.0927(9) 0.0774(11) 0.9972(7) 0.086(5) Uani 0.613(9) 1 d . U P C 1
H20G H 0.1121 0.0575 0.9693 0.129 Uiso 0.613(9) 1 calc R U P C 1
H20H H 0.0899 0.0225 1.0212 0.129 Uiso 0.613(9) 1 calc R U P C 1
H20I H 0.1188 0.1272 1.0238 0.129 Uiso 0.613(9) 1 calc R U P C 1
C21B C -0.0116(9) 0.1266(9) 0.9942(8) 0.078(5) Uani 0.613(9) 1 d . U P C 1
H21G H -0.0071 0.0731 1.0217 0.117 Uiso 0.613(9) 1 calc R U P C 1
H21H H -0.0554 0.1293 0.9646 0.117 Uiso 0.613(9) 1 calc R U P C 1
H21I H -0.0013 0.1863 1.0170 0.117 Uiso 0.613(9) 1 calc R U P C 1
N3Y N 0.0081(11) 0.115(2) 0.9535(13) 0.046(3) Uani 0.387(9) 1 d . U P C 2
O1Y O 0.0962(6) 0.0993(10) 1.0499(6) 0.060(4) Uani 0.387(9) 1 d . U P C 2
C19Y C 0.0427(9) 0.1319(13) 1.0200(8) 0.041(4) Uani 0.387(9) 1 d . U P C 2
H19E H 0.0223 0.1698 1.0399 0.049 Uiso 0.387(9) 1 calc R U P C 2
C20Y C 0.0426(13) 0.068(2) 0.9261(12) 0.079(8) Uani 0.387(9) 1 d . U P C 2
H20P H 0.0832 0.0466 0.9565 0.119 Uiso 0.387(9) 1 calc R U P C 2
H20Q H 0.0506 0.1110 0.8979 0.119 Uiso 0.387(9) 1 calc R U P C 2
H20R H 0.0185 0.0123 0.9043 0.119 Uiso 0.387(9) 1 calc R U P C 2
C21Y C -0.0509(10) 0.1568(15) 0.9273(10) 0.067(7) Uani 0.387(9) 1 d . U P C 2
H21J H -0.0512 0.1994 0.8951 0.101 Uiso 0.387(9) 1 calc R U P C 2
H21K H -0.0600 0.1935 0.9576 0.101 Uiso 0.387(9) 1 calc R U P C 2
H21L H -0.0833 0.1073 0.9107 0.101 Uiso 0.387(9) 1 calc R U P C 2
N3C N 0.1925(3) 0.1029(4) 0.8443(3) 0.0499(15) Uani 1 1 d . U . . .
C21C C 0.2065(5) 0.0323(6) 0.8888(5) 0.091(3) Uani 1 1 d . U . . .
H21A H 0.1673 0.0138 0.8938 0.136 Uiso 1 1 calc R U . . .
H21B H 0.2371 0.0575 0.9269 0.136 Uiso 1 1 calc R U . . .
H21C H 0.2247 -0.0235 0.8769 0.136 Uiso 1 1 calc R U . . .
C19C C 0.2368(4) 0.1690(6) 0.8452(4) 0.0537(19) Uani 1 1 d . U . . .
H19W H 0.2761 0.1729 0.8788 0.064 Uiso 0.599(12) 1 calc R U P D 1
H19J H 0.2662 0.1407 0.8290 0.081 Uiso 0.401(12) 1 calc R U P D 2
H19B H 0.2606 0.1898 0.8866 0.081 Uiso 0.401(12) 1 calc R U P D 2
H19C H 0.2155 0.2240 0.8207 0.081 Uiso 0.401(12) 1 calc R U P D 2
C20C C 0.1378(6) 0.0810(10) 0.7959(5) 0.048(3) Uani 0.599(12) 1 d . U P D 1
H20A H 0.1030 0.0706 0.8096 0.073 Uiso 0.599(12) 1 calc R U P D 1
H20B H 0.1445 0.0229 0.7766 0.073 Uiso 0.599(12) 1 calc R U P D 1
H20C H 0.1269 0.1338 0.7672 0.073 Uiso 0.599(12) 1 calc R U P D 1
O1C O 0.2257(5) 0.2238(7) 0.8023(4) 0.063(3) Uani 0.599(12) 1 d . U P D 1
C19X C 0.1261(8) 0.1473(13) 0.8122(7) 0.039(4) Uani 0.401(12) 1 d . U P D 2
H19X H 0.1244 0.2075 0.7937 0.046 Uiso 0.401(12) 1 calc R U P D 2
O1X O 0.0766(7) 0.1137(11) 0.8082(6) 0.069(5) Uani 0.401(12) 1 d . U P D 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2D 2.222(5) . ?
Ag1 C7Z 2.412(17) . ?
Ag1 C7B 2.466(14) . ?
Ag1 C7A 2.483(6) . ?
Ag1 Pt1Z 2.667(2) . ?
Ag1 C8A 2.698(6) . ?
Ag1 Pt1A 2.8792(5) . ?
Ag1 Pt1B 3.0408(19) . ?
Ag2 N2C 2.248(6) . ?
Ag2 C13Z 2.481(12) . ?
Ag2 C13A 2.499(6) . ?
Ag2 C13B 2.527(14) . ?
Ag2 C14Z 2.621(14) . ?
Ag2 Pt1B 2.7740(11) . ?
Ag2 Pt1A 2.8819(5) . ?
Ag2 Pt1Z 3.0005(18) . ?
Ag3 N2A 2.209(5) . ?
Ag3 C13D 2.503(5) . ?
Ag3 C13C 2.577(5) . ?
Ag3 C14D 2.632(6) . ?
Ag3 Pt1C 2.7869(4) . ?
Ag3 Pt1D 2.9460(5) . ?
Ag3 Ag4 3.3580(6) . ?
Ag4 N2B 2.11(3) . ?
Ag4 N2Z 2.31(2) . ?
Ag4 C7C 2.501(6) . ?
Ag4 C7D 2.539(5) . ?
Ag4 C8C 2.660(6) . ?
Ag4 Pt1D 2.8046(5) . ?
Ag4 Pt1C 2.9088(5) . ?
Pt1A C18A 1.939(6) . ?
Pt1A N1A 2.004(4) . ?
Pt1A C7A 2.072(5) . ?
Pt1A C13A 2.073(5) . ?
N1A C5A 1.346(7) . ?
N1A C1A 1.362(6) . ?
C1A C2A 1.402(8) . ?
C1A C6A 1.464(8) . ?
C2A C3A 1.384(9) . ?
C3A C4A 1.379(9) . ?
C4A C5A 1.384(8) . ?
C5A C12A 1.471(8) . ?
C6A C11A 1.382(8) . ?
C6A C7A 1.430(7) . ?
C7A C8A 1.400(7) . ?
C8A C9A 1.396(8) . ?
C9A C10A 1.373(9) . ?
C10A C11A 1.391(9) . ?
C12A C17A 1.377(8) . ?
C12A C13A 1.425(8) . ?
C13A C14A 1.386(7) . ?
C14A C15A 1.393(8) . ?
C15A C16A 1.354(10) . ?
C16A C17A 1.396(10) . ?
C18A N2A 1.156(6) . ?
Pt1B C18B 1.940(10) . ?
Pt1B N1B 2.002(8) . ?
Pt1B C7B 2.067(9) . ?
Pt1B C13B 2.085(10) . ?
N1B C5B 1.342(13) . ?
N1B C1B 1.361(12) . ?
C1B C2B 1.405(13) . ?
C1B C6B 1.455(13) . ?
C2B C3B 1.375(16) . ?
C3B C4B 1.377(16) . ?
C4B C5B 1.379(13) . ?
C5B C12B 1.472(13) . ?
C6B C11B 1.382(14) . ?
C6B C7B 1.434(12) . ?
C7B C8B 1.389(13) . ?
C8B C9B 1.384(13) . ?
C9B C10B 1.372(15) . ?
C10B C11B 1.410(15) . ?
C12B C17B 1.384(14) . ?
C12B C13B 1.416(13) . ?
C13B C14B 1.404(12) . ?
C14B C15B 1.396(12) . ?
C15B C16B 1.358(14) . ?
C16B C17B 1.418(16) . ?
C18B N2B 1.182(13) . ?
Pt1Z C18Z 1.928(10) . ?
Pt1Z N1Z 2.010(9) . ?
Pt1Z C13Z 2.071(10) . ?
Pt1Z C7Z 2.083(10) . ?
N1Z C1Z 1.349(13) . ?
N1Z C5Z 1.356(13) . ?
C1Z C2Z 1.411(13) . ?
C1Z C6Z 1.462(14) . ?
C2Z C3Z 1.377(15) . ?
C3Z C4Z 1.388(17) . ?
C4Z C5Z 1.384(15) . ?
C5Z C12Z 1.477(13) . ?
C6Z C11Z 1.381(15) . ?
C6Z C7Z 1.429(13) . ?
C7Z C8Z 1.399(13) . ?
C8Z C9Z 1.381(13) . ?
C9Z C10Z 1.368(14) . ?
C10Z C11Z 1.407(15) . ?
C12Z C17Z 1.380(14) . ?
C12Z C13Z 1.423(13) . ?
C13Z C14Z 1.404(13) . ?
C14Z C15Z 1.396(14) . ?
C15Z C16Z 1.349(16) . ?
C16Z C17Z 1.414(17) . ?
C18Z N2Z 1.187(12) . ?
Pt1C C18C 1.956(7) . ?
Pt1C N1C 2.009(5) . ?
Pt1C C7C 2.073(6) . ?
Pt1C C13C 2.073(5) . ?
N1C C5C 1.342(7) . ?
N1C C1C 1.360(7) . ?
C1C C2C 1.386(9) . ?
C1C C6C 1.460(10) . ?
C2C C3C 1.396(10) . ?
C3C C4C 1.383(9) . ?
C4C C5C 1.389(8) . ?
C5C C12C 1.478(7) . ?
C6C C11C 1.395(9) . ?
C6C C7C 1.422(9) . ?
C7C C8C 1.416(9) . ?
C8C C9C 1.395(10) . ?
C9C C10C 1.336(13) . ?
C10C C11C 1.396(12) . ?
C12C C17C 1.394(8) . ?
C12C C13C 1.428(8) . ?
C13C C14C 1.388(7) . ?
C14C C15C 1.390(8) . ?
C15C C16C 1.386(9) . ?
C16C C17C 1.377(8) . ?
Pt1D C18D 1.946(6) . ?
Pt1D N1D 2.007(5) . ?
Pt1D C7D 2.065(6) . ?
Pt1D C13D 2.084(6) . ?
N1D C1D 1.348(7) . ?
N1D C5D 1.351(8) . ?
C1D C2D 1.378(9) . ?
C1D C6D 1.462(9) . ?
C2D C3D 1.376(11) . ?
C3D C4D 1.368(11) . ?
C4D C5D 1.396(9) . ?
C5D C12D 1.473(10) . ?
C6D C11D 1.387(8) . ?
C6D C7D 1.426(8) . ?
C7D C8D 1.412(8) . ?
C8D C9D 1.411(8) . ?
C9D C10D 1.357(10) . ?
C10D C11D 1.382(10) . ?
C12D C17D 1.391(9) . ?
C12D C13D 1.416(9) . ?
C13D C14D 1.407(8) . ?
C14D C15D 1.388(10) . ?
C15D C16D 1.388(13) . ?
C16D C17D 1.378(13) . ?
N2C C18C 1.143(7) . ?
N2D C18D 1.153(7) . ?
N3A C19A 1.329(18) . ?
N3A C19Z 1.40(2) . ?
N3A C20A 1.41(5) . ?
N3A C21A 1.42(6) . ?
N3A C21Z 1.44(8) . ?
N3A C20Z 1.48(6) . ?
C19A O1A 1.185(18) . ?
C19Z O1Z 1.25(2) . ?
N3B C19B 1.39(2) . ?
N3B C21B 1.42(2) . ?
N3B C20B 1.42(2) . ?
O1B C19B 1.212(14) . ?
N3Y C20Y 1.37(4) . ?
N3Y C21Y 1.38(3) . ?
N3Y C19Y 1.51(3) . ?
O1Y C19Y 1.24(2) . ?
N3C C19C 1.364(9) . ?
N3C C20C 1.376(12) . ?
N3C C21C 1.405(10) . ?
N3C C19X 1.542(18) . ?
C19C O1C 1.237(11) . ?
C19X O1X 1.19(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
N2D Ag1 C7Z 112.6(3) . . ?
N2D Ag1 C7B 117.8(3) . . ?
N2D Ag1 C7A 118.56(18) . . ?
C7Z Ag1 C7A 114.4(3) . . ?
C7B Ag1 C7A 117.2(3) . . ?
N2D Ag1 Pt1Z 120.62(13) . . ?
C7Z Ag1 Pt1Z 48.1(3) . . ?
C7A Ag1 Pt1Z 119.89(13) . . ?
N2D Ag1 C8A 91.55(19) . . ?
C7Z Ag1 C8A 118.2(3) . . ?
C7B Ag1 C8A 127.9(3) . . ?
C7A Ag1 C8A 31.00(17) . . ?
Pt1Z Ag1 C8A 147.48(15) . . ?
N2D Ag1 Pt1A 119.03(13) . . ?
C7Z Ag1 Pt1A 127.7(3) . . ?
C7B Ag1 Pt1A 119.2(3) . . ?
C7A Ag1 Pt1A 44.71(11) . . ?
Pt1Z Ag1 Pt1A 95.80(3) . . ?
C8A Ag1 Pt1A 69.56(12) . . ?
N2D Ag1 Pt1B 115.40(13) . . ?
C7B Ag1 Pt1B 42.5(2) . . ?
C7A Ag1 Pt1B 123.08(12) . . ?
C8A Ag1 Pt1B 152.90(14) . . ?
Pt1A Ag1 Pt1B 93.35(2) . . ?
N2C Ag2 C13Z 123.9(3) . . ?
N2C Ag2 C13A 110.38(18) . . ?
C13Z Ag2 C13A 116.1(3) . . ?
N2C Ag2 C13B 106.9(3) . . ?
C13A Ag2 C13B 125.5(3) . . ?
N2C Ag2 C14Z 94.5(3) . . ?
C13Z Ag2 C14Z 31.8(3) . . ?
C13A Ag2 C14Z 126.3(3) . . ?
N2C Ag2 Pt1B 119.79(13) . . ?
C13A Ag2 Pt1B 129.25(14) . . ?
C13B Ag2 Pt1B 46.0(2) . . ?
N2C Ag2 Pt1A 120.62(12) . . ?
C13Z Ag2 Pt1A 114.3(3) . . ?
C13A Ag2 Pt1A 44.61(12) . . ?
C13B Ag2 Pt1A 131.9(3) . . ?
C14Z Ag2 Pt1A 144.8(3) . . ?
Pt1B Ag2 Pt1A 99.21(5) . . ?
N2C Ag2 Pt1Z 126.05(13) . . ?
C13Z Ag2 Pt1Z 43.1(2) . . ?
C13A Ag2 Pt1Z 121.10(13) . . ?
C14Z Ag2 Pt1Z 68.2(3) . . ?
Pt1A Ag2 Pt1Z 88.83(5) . . ?
N2A Ag3 C13D 124.22(19) . . ?
N2A Ag3 C13C 100.75(17) . . ?
C13D Ag3 C13C 123.32(19) . . ?
N2A Ag3 C14D 96.5(2) . . ?
C13D Ag3 C14D 31.68(19) . . ?
C13C Ag3 C14D 124.44(19) . . ?
N2A Ag3 Pt1C 116.64(12) . . ?
C13D Ag3 Pt1C 118.58(14) . . ?
C13C Ag3 Pt1C 45.26(12) . . ?
C14D Ag3 Pt1C 145.93(17) . . ?
N2A Ag3 Pt1D 122.79(12) . . ?
C13D Ag3 Pt1D 44.05(13) . . ?
C13C Ag3 Pt1D 133.52(12) . . ?
C14D Ag3 Pt1D 69.76(13) . . ?
Pt1C Ag3 Pt1D 96.235(13) . . ?
N2A Ag3 Ag4 109.86(12) . . ?
C13D Ag3 Ag4 94.83(13) . . ?
C13C Ag3 Ag4 100.70(12) . . ?
C14D Ag3 Ag4 121.93(13) . . ?
Pt1C Ag3 Ag4 55.572(11) . . ?
Pt1D Ag3 Ag4 52.337(10) . . ?
N2B Ag4 C7C 126.7(12) . . ?
N2Z Ag4 C7C 131.1(10) . . ?
N2B Ag4 C7D 103.8(13) . . ?
N2Z Ag4 C7D 103.9(10) . . ?
C7C Ag4 C7D 112.7(2) . . ?
N2B Ag4 C8C 98.2(12) . . ?
N2Z Ag4 C8C 103.6(10) . . ?
C7C Ag4 C8C 31.7(2) . . ?
C7D Ag4 C8C 114.3(2) . . ?
N2B Ag4 Pt1D 119.7(12) . . ?
N2Z Ag4 Pt1D 115.3(10) . . ?
C7C Ag4 Pt1D 113.54(16) . . ?
C7D Ag4 Pt1D 45.13(13) . . ?
C8C Ag4 Pt1D 138.92(19) . . ?
N2B Ag4 Pt1C 126.1(13) . . ?
N2Z Ag4 Pt1C 124.8(10) . . ?
C7C Ag4 Pt1C 44.26(13) . . ?
C7D Ag4 Pt1C 129.48(14) . . ?
C8C Ag4 Pt1C 69.77(14) . . ?
Pt1D Ag4 Pt1C 96.695(14) . . ?
N2B Ag4 Ag3 116.5(11) . . ?
N2Z Ag4 Ag3 110.6(9) . . ?
C7C Ag4 Ag3 93.29(13) . . ?
C7D Ag4 Ag3 101.33(13) . . ?
C8C Ag4 Ag3 121.91(14) . . ?
Pt1D Ag4 Ag3 56.255(11) . . ?
Pt1C Ag4 Ag3 52.211(10) . . ?
C18A Pt1A N1A 177.5(2) . . ?
C18A Pt1A C7A 99.9(2) . . ?
N1A Pt1A C7A 81.0(2) . . ?
C18A Pt1A C13A 98.6(2) . . ?
N1A Pt1A C13A 80.4(2) . . ?
C7A Pt1A C13A 161.0(2) . . ?
C18A Pt1A Ag1 77.67(15) . . ?
N1A Pt1A Ag1 104.71(14) . . ?
C7A Pt1A Ag1 57.47(16) . . ?
C13A Pt1A Ag1 131.91(16) . . ?
C18A Pt1A Ag2 79.91(17) . . ?
N1A Pt1A Ag2 101.28(13) . . ?
C7A Pt1A Ag2 130.34(15) . . ?
C13A Pt1A Ag2 57.86(16) . . ?
Ag1 Pt1A Ag2 74.489(15) . . ?
C5A N1A C1A 123.3(5) . . ?
C5A N1A Pt1A 118.6(4) . . ?
C1A N1A Pt1A 117.5(4) . . ?
N1A C1A C2A 117.9(5) . . ?
N1A C1A C6A 113.8(5) . . ?
C2A C1A C6A 128.1(5) . . ?
C3A C2A C1A 119.8(6) . . ?
C4A C3A C2A 119.8(6) . . ?
C3A C4A C5A 120.0(6) . . ?
N1A C5A C4A 119.1(6) . . ?
N1A C5A C12A 113.1(5) . . ?
C4A C5A C12A 127.6(6) . . ?
C11A C6A C7A 121.1(6) . . ?
C11A C6A C1A 122.5(6) . . ?
C7A C6A C1A 116.2(5) . . ?
C8A C7A C6A 116.6(5) . . ?
C8A C7A Pt1A 132.1(4) . . ?
C6A C7A Pt1A 111.3(4) . . ?
C8A C7A Ag1 83.0(4) . . ?
C6A C7A Ag1 115.9(4) . . ?
Pt1A C7A Ag1 77.83(17) . . ?
C9A C8A C7A 121.5(6) . . ?
C9A C8A Ag1 123.1(4) . . ?
C7A C8A Ag1 66.0(3) . . ?
C10A C9A C8A 120.7(6) . . ?
C9A C10A C11A 119.6(6) . . ?
C6A C11A C10A 120.6(6) . . ?
C17A C12A C13A 121.0(6) . . ?
C17A C12A C5A 122.6(6) . . ?
C13A C12A C5A 116.2(5) . . ?
C14A C13A C12A 116.3(5) . . ?
C14A C13A Pt1A 131.9(5) . . ?
C12A C13A Pt1A 111.5(4) . . ?
C14A C13A Ag2 88.0(4) . . ?
C12A C13A Ag2 113.5(4) . . ?
Pt1A C13A Ag2 77.53(18) . . ?
C13A C14A C15A 121.8(6) . . ?
C16A C15A C14A 121.4(7) . . ?
C15A C16A C17A 118.6(6) . . ?
C12A C17A C16A 120.9(7) . . ?
N2A C18A Pt1A 179.7(6) . . ?
C18A N2A Ag3 151.0(4) . . ?
C18B Pt1B N1B 174.2(8) . . ?
C18B Pt1B C7B 103.0(5) . . ?
N1B Pt1B C7B 81.0(4) . . ?
C18B Pt1B C13B 95.9(6) . . ?
N1B Pt1B C13B 80.3(4) . . ?
C7B Pt1B C13B 161.0(4) . . ?
C18B Pt1B Ag2 78.4(8) . . ?
N1B Pt1B Ag2 95.9(3) . . ?
C7B Pt1B Ag2 125.1(4) . . ?
C13B Pt1B Ag2 60.7(4) . . ?
C18B Pt1B Ag1 79.1(7) . . ?
N1B Pt1B Ag1 100.4(3) . . ?
C7B Pt1B Ag1 53.7(4) . . ?
C13B Pt1B Ag1 133.9(4) . . ?
Ag2 Pt1B Ag1 73.52(3) . . ?
C5B N1B C1B 124.1(9) . . ?
C5B N1B Pt1B 118.8(7) . . ?
C1B N1B Pt1B 117.1(7) . . ?
N1B C1B C2B 116.3(11) . . ?
N1B C1B C6B 114.6(9) . . ?
C2B C1B C6B 129.1(11) . . ?
C3B C2B C1B 119.6(13) . . ?
C2B C3B C4B 122.3(13) . . ?
C3B C4B C5B 117.1(12) . . ?
N1B C5B C4B 120.5(11) . . ?
N1B C5B C12B 113.0(9) . . ?
C4B C5B C12B 126.4(11) . . ?
C11B C6B C7B 122.1(11) . . ?
C11B C6B C1B 122.2(11) . . ?
C7B C6B C1B 115.7(10) . . ?
C8B C7B C6B 113.6(10) . . ?
C8B C7B Pt1B 134.6(8) . . ?
C6B C7B Pt1B 111.5(7) . . ?
C8B C7B Ag1 84.6(9) . . ?
C6B C7B Ag1 111.6(9) . . ?
Pt1B C7B Ag1 83.8(4) . . ?
C9B C8B C7B 124.6(12) . . ?
C10B C9B C8B 121.1(13) . . ?
C9B C10B C11B 116.9(13) . . ?
C6B C11B C10B 121.5(12) . . ?
C17B C12B C13B 121.2(11) . . ?
C17B C12B C5B 122.0(11) . . ?
C13B C12B C5B 116.7(9) . . ?
C14B C13B C12B 118.0(10) . . ?
C14B C13B Pt1B 130.7(8) . . ?
C12B C13B Pt1B 111.1(7) . . ?
C14B C13B Ag2 96.1(8) . . ?
C12B C13B Ag2 107.4(9) . . ?
Pt1B C13B Ag2 73.2(4) . . ?
C15B C14B C13B 120.8(10) . . ?
C16B C15B C14B 120.3(11) . . ?
C15B C16B C17B 121.0(12) . . ?
C12B C17B C16B 118.7(12) . . ?
N2B C18B Pt1B 175(3) . . ?
C18B N2B Ag4 149(4) . . ?
C18Z Pt1Z N1Z 177.2(7) . . ?
C18Z Pt1Z C13Z 96.5(6) . . ?
N1Z Pt1Z C13Z 80.7(5) . . ?
C18Z Pt1Z C7Z 102.0(6) . . ?
N1Z Pt1Z C7Z 80.8(5) . . ?
C13Z Pt1Z C7Z 161.1(5) . . ?
C18Z Pt1Z Ag1 79.6(9) . . ?
N1Z Pt1Z Ag1 101.8(4) . . ?
C13Z Pt1Z Ag1 128.8(3) . . ?
C7Z Pt1Z Ag1 59.5(5) . . ?
C18Z Pt1Z Ag2 72.9(9) . . ?
N1Z Pt1Z Ag2 105.0(3) . . ?
C13Z Pt1Z Ag2 55.0(3) . . ?
C7Z Pt1Z Ag2 134.9(5) . . ?
Ag1 Pt1Z Ag2 75.68(3) . . ?
C1Z N1Z C5Z 125.2(10) . . ?
C1Z N1Z Pt1Z 117.3(8) . . ?
C5Z N1Z Pt1Z 117.4(8) . . ?
N1Z C1Z C2Z 116.9(11) . . ?
N1Z C1Z C6Z 114.8(10) . . ?
C2Z C1Z C6Z 128.3(12) . . ?
C3Z C2Z C1Z 119.6(13) . . ?
C2Z C3Z C4Z 121.0(14) . . ?
C5Z C4Z C3Z 119.3(15) . . ?
N1Z C5Z C4Z 118.0(12) . . ?
N1Z C5Z C12Z 114.2(10) . . ?
C4Z C5Z C12Z 127.4(12) . . ?
C11Z C6Z C7Z 121.3(11) . . ?
C11Z C6Z C1Z 122.7(11) . . ?
C7Z C6Z C1Z 115.9(11) . . ?
C8Z C7Z C6Z 116.9(10) . . ?
C8Z C7Z Pt1Z 131.8(9) . . ?
C6Z C7Z Pt1Z 111.2(8) . . ?
C8Z C7Z Ag1 89.4(10) . . ?
C6Z C7Z Ag1 114.4(11) . . ?
Pt1Z C7Z Ag1 72.4(4) . . ?
C9Z C8Z C7Z 121.4(12) . . ?
C10Z C9Z C8Z 121.1(13) . . ?
C9Z C10Z C11Z 119.8(13) . . ?
C6Z C11Z C10Z 119.4(12) . . ?
C17Z C12Z C13Z 121.1(11) . . ?
C17Z C12Z C5Z 123.5(11) . . ?
C13Z C12Z C5Z 115.3(10) . . ?
C14Z C13Z C12Z 117.3(10) . . ?
C14Z C13Z Pt1Z 130.5(8) . . ?
C12Z C13Z Pt1Z 112.2(8) . . ?
C14Z C13Z Ag2 79.6(8) . . ?
C12Z C13Z Ag2 115.2(10) . . ?
Pt1Z C13Z Ag2 81.9(4) . . ?
C15Z C14Z C13Z 120.4(12) . . ?
C15Z C14Z Ag2 119.1(10) . . ?
C13Z C14Z Ag2 68.6(8) . . ?
C16Z C15Z C14Z 121.7(14) . . ?
C15Z C16Z C17Z 119.6(15) . . ?
C12Z C17Z C16Z 119.6(13) . . ?
N2Z C18Z Pt1Z 171(3) . . ?
C18Z N2Z Ag4 156(3) . . ?
C18C Pt1C N1C 177.6(2) . . ?
C18C Pt1C C7C 100.9(3) . . ?
N1C Pt1C C7C 81.0(2) . . ?
C18C Pt1C C13C 97.8(2) . . ?
N1C Pt1C C13C 80.5(2) . . ?
C7C Pt1C C13C 160.9(2) . . ?
C18C Pt1C Ag3 84.68(16) . . ?
N1C Pt1C Ag3 93.07(12) . . ?
C7C Pt1C Ag3 123.82(15) . . ?
C13C Pt1C Ag3 62.01(14) . . ?
C18C Pt1C Ag4 72.47(16) . . ?
N1C Pt1C Ag4 107.56(13) . . ?
C7C Pt1C Ag4 57.36(16) . . ?
C13C Pt1C Ag4 133.97(14) . . ?
Ag3 Pt1C Ag4 72.217(13) . . ?
C5C N1C C1C 123.9(5) . . ?
C5C N1C Pt1C 118.6(4) . . ?
C1C N1C Pt1C 117.3(4) . . ?
N1C C1C C2C 118.3(6) . . ?
N1C C1C C6C 113.7(6) . . ?
C2C C1C C6C 127.9(6) . . ?
C1C C2C C3C 119.2(6) . . ?
C4C C3C C2C 120.4(6) . . ?
C3C C4C C5C 119.3(6) . . ?
N1C C5C C4C 118.9(5) . . ?
N1C C5C C12C 113.3(5) . . ?
C4C C5C C12C 127.5(6) . . ?
C11C C6C C7C 119.9(7) . . ?
C11C C6C C1C 123.0(7) . . ?
C7C C6C C1C 116.9(5) . . ?
C8C C7C C6C 117.4(6) . . ?
C8C C7C Pt1C 131.4(6) . . ?
C6C C7C Pt1C 111.0(4) . . ?
C8C C7C Ag4 80.4(4) . . ?
C6C C7C Ag4 120.6(4) . . ?
Pt1C C7C Ag4 78.38(19) . . ?
C9C C8C C7C 121.3(8) . . ?
C9C C8C Ag4 125.4(5) . . ?
C7C C8C Ag4 68.0(3) . . ?
C10C C9C C8C 119.7(8) . . ?
C9C C10C C11C 122.1(8) . . ?
C6C C11C C10C 119.6(8) . . ?
C17C C12C C13C 121.3(5) . . ?
C17C C12C C5C 122.3(5) . . ?
C13C C12C C5C 116.2(5) . . ?
C14C C13C C12C 117.0(5) . . ?
C14C C13C Pt1C 130.9(4) . . ?
C12C C13C Pt1C 111.4(4) . . ?
C14C C13C Ag3 102.8(3) . . ?
C12C C13C Ag3 102.8(3) . . ?
Pt1C C13C Ag3 72.72(15) . . ?
C13C C14C C15C 121.3(5) . . ?
C16C C15C C14C 120.5(5) . . ?
C17C C16C C15C 120.1(5) . . ?
C16C C17C C12C 119.6(5) . . ?
C18D Pt1D N1D 179.0(2) . . ?
C18D Pt1D C7D 98.8(2) . . ?
N1D Pt1D C7D 80.2(2) . . ?
C18D Pt1D C13D 100.3(2) . . ?
N1D Pt1D C13D 80.8(2) . . ?
C7D Pt1D C13D 160.8(3) . . ?
C18D Pt1D Ag4 79.50(15) . . ?
N1D Pt1D Ag4 99.84(14) . . ?
C7D Pt1D Ag4 60.61(15) . . ?
C13D Pt1D Ag4 125.26(14) . . ?
C18D Pt1D Ag3 74.28(15) . . ?
N1D Pt1D Ag3 106.28(13) . . ?
C7D Pt1D Ag3 131.91(15) . . ?
C13D Pt1D Ag3 56.61(15) . . ?
Ag4 Pt1D Ag3 71.408(13) . . ?
C1D N1D C5D 123.7(5) . . ?
C1D N1D Pt1D 118.3(4) . . ?
C5D N1D Pt1D 117.8(4) . . ?
N1D C1D C2D 117.7(6) . . ?
N1D C1D C6D 113.6(5) . . ?
C2D C1D C6D 128.6(6) . . ?
C3D C2D C1D 120.8(7) . . ?
C4D C3D C2D 120.0(7) . . ?
C3D C4D C5D 119.3(7) . . ?
N1D C5D C4D 118.4(6) . . ?
N1D C5D C12D 113.6(5) . . ?
C4D C5D C12D 128.0(6) . . ?
C11D C6D C7D 122.3(6) . . ?
C11D C6D C1D 121.8(6) . . ?
C7D C6D C1D 115.8(5) . . ?
C8D C7D C6D 115.9(5) . . ?
C8D C7D Pt1D 131.8(4) . . ?
C6D C7D Pt1D 112.1(4) . . ?
C8D C7D Ag4 91.2(3) . . ?
C6D C7D Ag4 112.2(4) . . ?
Pt1D C7D Ag4 74.26(17) . . ?
C9D C8D C7D 120.6(6) . . ?
C10D C9D C8D 121.2(7) . . ?
C9D C10D C11D 120.3(6) . . ?
C10D C11D C6D 119.6(7) . . ?
C17D C12D C13D 121.7(7) . . ?
C17D C12D C5D 121.5(7) . . ?
C13D C12D C5D 116.6(5) . . ?
C14D C13D C12D 117.1(6) . . ?
C14D C13D Pt1D 131.9(5) . . ?
C12D C13D Pt1D 111.0(4) . . ?
C14D C13D Ag3 79.2(3) . . ?
C12D C13D Ag3 117.0(4) . . ?
Pt1D C13D Ag3 79.34(17) . . ?
C15D C14D C13D 121.0(8) . . ?
C15D C14D Ag3 119.5(4) . . ?
C13D C14D Ag3 69.1(3) . . ?
C16D C15D C14D 120.1(8) . . ?
C17D C16D C15D 120.7(7) . . ?
C16D C17D C12D 119.3(8) . . ?
C18C N2C Ag2 149.5(5) . . ?
N2C C18C Pt1C 176.5(5) . . ?
C18D N2D Ag1 154.4(4) . . ?
N2D C18D Pt1D 179.2(5) . . ?
C19A N3A C20A 102.8(16) . . ?
C19A N3A C21A 139(2) . . ?
C20A N3A C21A 118(2) . . ?
C19Z N3A C21Z 100(3) . . ?
C19Z N3A C20Z 144(2) . . ?
C21Z N3A C20Z 116(3) . . ?
O1A C19A N3A 129.5(16) . . ?
O1Z C19Z N3A 132(2) . . ?
C19B N3B C21B 121.2(15) . . ?
C19B N3B C20B 119.5(15) . . ?
C21B N3B C20B 118.9(16) . . ?
O1B C19B N3B 126.0(15) . . ?
C20Y N3Y C21Y 128(3) . . ?
C20Y N3Y C19Y 115(2) . . ?
C21Y N3Y C19Y 116(2) . . ?
O1Y C19Y N3Y 123(2) . . ?
C19C N3C C20C 126.0(8) . . ?
C19C N3C C21C 121.3(7) . . ?
C20C N3C C21C 110.9(8) . . ?
C19C N3C C19X 108.1(8) . . ?
C21C N3C C19X 123.9(9) . . ?
O1C C19C N3C 119.9(8) . . ?
O1X C19X N3C 126.7(16) . . ?

_refine_diff_density_max         1.297
_refine_diff_density_min         -1.222
_refine_diff_density_rms         0.170

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_6'_amt870
_database_code_depnum_ccdc_archive 'CCDC 1858216'
_audit_update_record             
;
2018-11-06 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C72 H52 Ag2 N4 P2 Pt2, C H2 Cl2'
_chemical_formula_sum            'C73 H54 Ag2 Cl2 N4 P2 Pt2'
_chemical_formula_weight         1725.96

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   17.7051(4)
_cell_length_b                   16.6937(3)
_cell_length_c                   22.3552(5)
_cell_angle_alpha                90
_cell_angle_beta                 110.664(3)
_cell_angle_gamma                90
_cell_volume                     6182.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    10218
_cell_measurement_theta_min      4.3830
_cell_measurement_theta_max      29.2120

_exptl_crystal_description       block
_exptl_crystal_colour            'translucent light red'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.854
_exptl_crystal_F_000             3336
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2400
_exptl_crystal_size_mid          0.1600
_exptl_crystal_size_min          0.1200
_exptl_absorpt_coefficient_mu    5.321
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.83444
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_reflns_number            27936
_diffrn_reflns_av_unetI/netI     0.0820
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         4.242
_diffrn_reflns_theta_max         29.697
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.879
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.879
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.879
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_orient_matrix_UB_11      0.0325660000
_diffrn_orient_matrix_UB_12      0.0232611000
_diffrn_orient_matrix_UB_13      0.0201900000
_diffrn_orient_matrix_UB_21      -0.0039377000
_diffrn_orient_matrix_UB_22      -0.0187317000
_diffrn_orient_matrix_UB_23      0.0272043000
_diffrn_orient_matrix_UB_31      0.0275301000
_diffrn_orient_matrix_UB_32      -0.0302162000
_diffrn_orient_matrix_UB_33      -0.0013832000
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -8.00   56.00   1.0000   16.5900
omega____ theta____ kappa____ phi______ frames
    -       24.2116  -37.0000 -180.0000 64

#__ type_ start__ end____ width___ exp.time_
  2 omega  -28.00   82.00   1.0000   16.5900
omega____ theta____ kappa____ phi______ frames
    -       24.2116   19.0000   60.0000 110

#__ type_ start__ end____ width___ exp.time_
  3 omega  -26.00   32.00   1.0000   16.5900
omega____ theta____ kappa____ phi______ frames
    -       24.2116  -77.0000 -180.0000 58

;
_reflns_number_total             15404
_reflns_number_gt                11806
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0264P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15404
_refine_ls_number_parameters     766
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0478
_refine_ls_wR_factor_ref         0.0949
_refine_ls_wR_factor_gt          0.0850
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.57156(2) 0.60189(2) 0.22793(2) 0.01493(6) Uani 1 1 d . . . . .
Pt2 Pt 0.42267(2) 0.24143(2) 0.21770(2) 0.01568(6) Uani 1 1 d . . . . .
Ag1 Ag 0.63513(3) 0.45101(3) 0.20122(2) 0.01726(10) Uani 1 1 d . . . . .
Ag2 Ag 0.34891(3) 0.39644(3) 0.20340(2) 0.01862(10) Uani 1 1 d . . . . .
P1 P 0.70568(10) 0.45692(9) 0.12754(7) 0.0173(3) Uani 1 1 d . . . . .
P2 P 0.21205(10) 0.38498(9) 0.13422(7) 0.0177(3) Uani 1 1 d . . . . .
N1 N 0.6589(3) 0.6709(3) 0.2175(2) 0.0176(11) Uani 1 1 d . . . . .
N2 N 0.4319(3) 0.4970(3) 0.2363(2) 0.0195(11) Uani 1 1 d . . . . .
N3 N 0.3295(3) 0.1692(3) 0.2115(2) 0.0190(11) Uani 1 1 d . . . . .
N4 N 0.5615(3) 0.3559(3) 0.2193(2) 0.0196(12) Uani 1 1 d . . . . .
C1 C 0.7370(4) 0.6534(4) 0.2513(3) 0.0173(13) Uani 1 1 d . . . . .
C2 C 0.7973(4) 0.6982(4) 0.2408(3) 0.0295(16) Uani 1 1 d . . . . .
H2 H 0.8526 0.6858 0.2626 0.035 Uiso 1 1 calc R U . . .
C3 C 0.7747(4) 0.7614(4) 0.1978(3) 0.0295(16) Uani 1 1 d . . . . .
H3 H 0.8154 0.7931 0.1907 0.035 Uiso 1 1 calc R U . . .
C4 C 0.6947(4) 0.7793(4) 0.1652(3) 0.0283(16) Uani 1 1 d . . . . .
H4 H 0.6804 0.8227 0.1358 0.034 Uiso 1 1 calc R U . . .
C5 C 0.6351(4) 0.7333(4) 0.1756(3) 0.0204(14) Uani 1 1 d . . . . .
C6 C 0.7446(4) 0.5854(4) 0.2945(3) 0.0184(13) Uani 1 1 d . . . . .
C7 C 0.6723(4) 0.5463(3) 0.2939(3) 0.0143(12) Uani 1 1 d . . . . .
C8 C 0.6813(4) 0.4865(4) 0.3393(3) 0.0178(13) Uani 1 1 d . . . . .
H8 H 0.6344 0.4597 0.3402 0.021 Uiso 1 1 calc R U . . .
C9 C 0.7557(4) 0.4645(4) 0.3830(3) 0.0222(14) Uani 1 1 d . . . . .
H9 H 0.7589 0.4241 0.4137 0.027 Uiso 1 1 calc R U . . .
C10 C 0.8258(4) 0.5015(4) 0.3822(3) 0.0225(14) Uani 1 1 d . . . . .
H10 H 0.8769 0.4862 0.4120 0.027 Uiso 1 1 calc R U . . .
C11 C 0.8204(4) 0.5611(4) 0.3376(3) 0.0210(14) Uani 1 1 d . . . . .
H11 H 0.8682 0.5855 0.3360 0.025 Uiso 1 1 calc R U . . .
C12 C 0.5475(4) 0.7416(4) 0.1457(3) 0.0194(13) Uani 1 1 d . . . . .
C13 C 0.5000(4) 0.6810(3) 0.1614(3) 0.0142(12) Uani 1 1 d . . . . .
C14 C 0.4162(4) 0.6860(4) 0.1312(3) 0.0214(14) Uani 1 1 d . . . . .
H14 H 0.3829 0.6459 0.1393 0.026 Uiso 1 1 calc R U . . .
C15 C 0.3802(4) 0.7490(4) 0.0891(3) 0.0238(15) Uani 1 1 d . . . . .
H15 H 0.3231 0.7508 0.0689 0.029 Uiso 1 1 calc R U . . .
C16 C 0.4278(4) 0.8089(4) 0.0770(3) 0.0258(15) Uani 1 1 d . . . . .
H16 H 0.4033 0.8526 0.0499 0.031 Uiso 1 1 calc R U . . .
C17 C 0.5115(4) 0.8042(4) 0.1048(3) 0.0236(15) Uani 1 1 d . . . . .
H17 H 0.5442 0.8441 0.0957 0.028 Uiso 1 1 calc R U . . .
C18 C 0.4849(4) 0.5364(4) 0.2343(3) 0.0188(13) Uani 1 1 d . . . . .
C19 C 0.7285(4) 0.3568(4) 0.1060(3) 0.0183(13) Uani 1 1 d . . . . .
C20 C 0.6674(4) 0.2980(4) 0.0926(3) 0.0221(14) Uani 1 1 d . . . . .
H20 H 0.6158 0.3121 0.0934 0.027 Uiso 1 1 calc R U . . .
C21 C 0.6814(4) 0.2215(4) 0.0785(3) 0.0238(15) Uani 1 1 d . . . . .
H21 H 0.6395 0.1828 0.0693 0.029 Uiso 1 1 calc R U . . .
C22 C 0.7566(4) 0.1997(4) 0.0773(3) 0.0261(16) Uani 1 1 d . . . . .
H22 H 0.7660 0.1462 0.0672 0.031 Uiso 1 1 calc R U . . .
C23 C 0.8172(5) 0.2552(4) 0.0908(3) 0.0346(18) Uani 1 1 d . . . . .
H23 H 0.8688 0.2403 0.0904 0.042 Uiso 1 1 calc R U . . .
C24 C 0.8027(4) 0.3340(4) 0.1050(3) 0.0257(15) Uani 1 1 d . . . . .
H24 H 0.8448 0.3724 0.1142 0.031 Uiso 1 1 calc R U . . .
C25 C 0.6469(4) 0.5071(4) 0.0535(3) 0.0210(14) Uani 1 1 d . . . . .
C26 C 0.6315(4) 0.5881(4) 0.0572(3) 0.0304(17) Uani 1 1 d . . . . .
H26 H 0.6523 0.6147 0.0972 0.037 Uiso 1 1 calc R U . . .
C27 C 0.5865(5) 0.6305(4) 0.0037(3) 0.0326(18) Uani 1 1 d . . . . .
H27 H 0.5774 0.6861 0.0071 0.039 Uiso 1 1 calc R U . . .
C28 C 0.5546(4) 0.5930(4) -0.0548(3) 0.0251(15) Uani 1 1 d . . . . .
H28 H 0.5240 0.6226 -0.0916 0.030 Uiso 1 1 calc R U . . .
C29 C 0.5676(4) 0.5109(4) -0.0595(3) 0.0296(16) Uani 1 1 d . . . . .
H29 H 0.5454 0.4840 -0.0993 0.035 Uiso 1 1 calc R U . . .
C30 C 0.6137(4) 0.4694(4) -0.0049(3) 0.0229(14) Uani 1 1 d . . . . .
H30 H 0.6226 0.4137 -0.0079 0.027 Uiso 1 1 calc R U . . .
C31 C 0.8039(4) 0.5063(4) 0.1538(3) 0.0180(13) Uani 1 1 d . . . . .
C32 C 0.8295(4) 0.5559(4) 0.1149(3) 0.0295(16) Uani 1 1 d . . . . .
H32 H 0.7947 0.5675 0.0725 0.035 Uiso 1 1 calc R U . . .
C33 C 0.9069(5) 0.5883(4) 0.1388(4) 0.0373(19) Uani 1 1 d . . . . .
H33 H 0.9246 0.6227 0.1125 0.045 Uiso 1 1 calc R U . . .
C34 C 0.9580(4) 0.5715(4) 0.1996(4) 0.0341(18) Uani 1 1 d . . . . .
H34 H 1.0110 0.5932 0.2147 0.041 Uiso 1 1 calc R U . . .
C35 C 0.9328(4) 0.5232(4) 0.2390(3) 0.0305(17) Uani 1 1 d . . . . .
H35 H 0.9681 0.5121 0.2813 0.037 Uiso 1 1 calc R U . . .
C36 C 0.8555(4) 0.4908(4) 0.2164(3) 0.0231(14) Uani 1 1 d . . . . .
H36 H 0.8377 0.4581 0.2435 0.028 Uiso 1 1 calc R U . . .
C37 C 0.2874(4) 0.1818(4) 0.2508(3) 0.0212(14) Uani 1 1 d . . . . .
C38 C 0.2223(4) 0.1331(4) 0.2463(3) 0.0250(15) Uani 1 1 d . . . . .
H38 H 0.1935 0.1396 0.2747 0.030 Uiso 1 1 calc R U . . .
C39 C 0.2004(4) 0.0744(4) 0.1992(3) 0.0289(16) Uani 1 1 d . . . . .
H39 H 0.1549 0.0415 0.1947 0.035 Uiso 1 1 calc R U . . .
C40 C 0.2429(4) 0.0630(4) 0.1593(3) 0.0246(15) Uani 1 1 d . . . . .
H40 H 0.2265 0.0228 0.1272 0.030 Uiso 1 1 calc R U . . .
C41 C 0.3104(4) 0.1104(4) 0.1657(3) 0.0202(14) Uani 1 1 d . . . . .
C42 C 0.3210(4) 0.2482(4) 0.2966(3) 0.0198(14) Uani 1 1 d . . . . .
C43 C 0.3906(4) 0.2876(4) 0.2913(3) 0.0199(14) Uani 1 1 d . . . . .
C44 C 0.4265(4) 0.3472(4) 0.3372(3) 0.0224(14) Uani 1 1 d . . . . .
H44 H 0.4737 0.3734 0.3364 0.027 Uiso 1 1 calc R U . . .
C45 C 0.3945(5) 0.3689(4) 0.3839(3) 0.0281(16) Uani 1 1 d . . . . .
H45 H 0.4205 0.4089 0.4144 0.034 Uiso 1 1 calc R U . . .
C46 C 0.3242(5) 0.3316(4) 0.3859(3) 0.0293(17) Uani 1 1 d . . . . .
H46 H 0.3013 0.3476 0.4166 0.035 Uiso 1 1 calc R U . . .
C47 C 0.2885(4) 0.2706(4) 0.3420(3) 0.0272(16) Uani 1 1 d . . . . .
H47 H 0.2415 0.2444 0.3434 0.033 Uiso 1 1 calc R U . . .
C48 C 0.3653(4) 0.1078(4) 0.1299(3) 0.0190(13) Uani 1 1 d . . . . .
C49 C 0.4263(4) 0.1690(4) 0.1445(3) 0.0168(13) Uani 1 1 d . . . . .
C50 C 0.4755(4) 0.1675(4) 0.1089(3) 0.0206(14) Uani 1 1 d . . . . .
H50 H 0.5157 0.2078 0.1163 0.025 Uiso 1 1 calc R U . . .
C51 C 0.4693(4) 0.1093(4) 0.0620(3) 0.0270(15) Uani 1 1 d . . . . .
H51 H 0.5043 0.1112 0.0381 0.032 Uiso 1 1 calc R U . . .
C52 C 0.4123(4) 0.0493(4) 0.0508(3) 0.0282(16) Uani 1 1 d . . . . .
H52 H 0.4094 0.0085 0.0204 0.034 Uiso 1 1 calc R U . . .
C53 C 0.3588(4) 0.0488(4) 0.0842(3) 0.0263(15) Uani 1 1 d . . . . .
H53 H 0.3184 0.0086 0.0759 0.032 Uiso 1 1 calc R U . . .
C54 C 0.5102(4) 0.3117(4) 0.2196(3) 0.0184(13) Uani 1 1 d . . . . .
C55 C 0.1469(4) 0.3605(3) 0.1793(3) 0.0173(13) Uani 1 1 d . . . . .
C56 C 0.1030(4) 0.2896(4) 0.1724(3) 0.0238(15) Uani 1 1 d . . . . .
H56 H 0.1045 0.2504 0.1420 0.029 Uiso 1 1 calc R U . . .
C57 C 0.0568(4) 0.2774(4) 0.2108(3) 0.0276(16) Uani 1 1 d . . . . .
H57 H 0.0261 0.2297 0.2062 0.033 Uiso 1 1 calc R U . . .
C58 C 0.0552(4) 0.3337(4) 0.2553(3) 0.0300(17) Uani 1 1 d . . . . .
H58 H 0.0228 0.3251 0.2807 0.036 Uiso 1 1 calc R U . . .
C59 C 0.1002(4) 0.4021(4) 0.2630(3) 0.0275(16) Uani 1 1 d . . . . .
H59 H 0.0993 0.4405 0.2942 0.033 Uiso 1 1 calc R U . . .
C60 C 0.1464(4) 0.4157(4) 0.2261(3) 0.0271(16) Uani 1 1 d . . . . .
H60 H 0.1783 0.4629 0.2325 0.033 Uiso 1 1 calc R U . . .
C61 C 0.1886(4) 0.3146(3) 0.0680(3) 0.0200(14) Uani 1 1 d . . . . .
C62 C 0.1092(4) 0.2975(4) 0.0283(3) 0.0237(15) Uani 1 1 d . . . . .
H62 H 0.0655 0.3210 0.0373 0.028 Uiso 1 1 calc R U . . .
C63 C 0.0935(5) 0.2471(4) -0.0235(3) 0.0283(16) Uani 1 1 d . . . . .
H63 H 0.0393 0.2353 -0.0494 0.034 Uiso 1 1 calc R U . . .
C64 C 0.1564(5) 0.2137(4) -0.0378(3) 0.0299(17) Uani 1 1 d . . . . .
H64 H 0.1456 0.1798 -0.0740 0.036 Uiso 1 1 calc R U . . .
C65 C 0.2362(5) 0.2301(4) 0.0013(3) 0.0332(17) Uani 1 1 d . . . . .
H65 H 0.2797 0.2074 -0.0083 0.040 Uiso 1 1 calc R U . . .
C66 C 0.2513(4) 0.2797(4) 0.0542(3) 0.0254(15) Uani 1 1 d . . . . .
H66 H 0.3054 0.2897 0.0813 0.031 Uiso 1 1 calc R U . . .
C67 C 0.1725(4) 0.4802(4) 0.0951(3) 0.0184(13) Uani 1 1 d . . . . .
C68 C 0.0949(4) 0.5067(4) 0.0858(3) 0.0318(17) Uani 1 1 d . . . . .
H68 H 0.0598 0.4750 0.0998 0.038 Uiso 1 1 calc R U . . .
C69 C 0.0690(5) 0.5787(5) 0.0563(4) 0.041(2) Uani 1 1 d . . . . .
H69 H 0.0163 0.5971 0.0510 0.050 Uiso 1 1 calc R U . . .
C70 C 0.1182(5) 0.6250(4) 0.0344(3) 0.0365(19) Uani 1 1 d . . . . .
H70 H 0.0991 0.6742 0.0131 0.044 Uiso 1 1 calc R U . . .
C71 C 0.1953(5) 0.5993(4) 0.0437(3) 0.0344(18) Uani 1 1 d . . . . .
H71 H 0.2300 0.6308 0.0290 0.041 Uiso 1 1 calc R U . . .
C72 C 0.2218(4) 0.5277(4) 0.0743(3) 0.0286(16) Uani 1 1 d . . . . .
H72 H 0.2754 0.5106 0.0812 0.034 Uiso 1 1 calc R U . . .
Cl1 Cl 0.88804(16) -0.00143(13) 0.02947(10) 0.0581(7) Uani 1 1 d . . . . .
Cl2 Cl 1.00173(12) 0.13088(12) 0.06477(9) 0.0403(5) Uani 1 1 d . . . . .
C73 C 0.9500(5) 0.0575(4) 0.0924(3) 0.0299(17) Uani 1 1 d . . . . .
H73A H 0.9897 0.0228 0.1241 0.036 Uiso 1 1 calc R U . . .
H73B H 0.9167 0.0841 0.1140 0.036 Uiso 1 1 calc R U . . .


_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 C18 1.930(7) . ?
Pt1 N1 2.006(5) . ?
Pt1 C13 2.058(5) . ?
Pt1 C7 2.088(6) . ?
Pt1 Ag1 2.9055(5) . ?
Pt2 C54 1.932(7) . ?
Pt2 N3 2.007(5) . ?
Pt2 C49 2.055(6) . ?
Pt2 C43 2.070(6) . ?
Pt2 Ag2 2.8652(5) . ?
Ag1 N4 2.181(5) . ?
Ag1 P1 2.3947(17) . ?
Ag1 C7 2.509(5) . ?
Ag2 N2 2.181(5) . ?
Ag2 P2 2.3780(17) . ?
Ag2 C43 2.586(6) . ?
P1 C25 1.819(6) . ?
P1 C19 1.824(6) . ?
P1 C31 1.825(6) . ?
P2 C61 1.820(6) . ?
P2 C55 1.826(7) . ?
P2 C67 1.831(6) . ?
N1 C1 1.353(7) . ?
N1 C5 1.364(7) . ?
N2 C18 1.159(8) . ?
N3 C37 1.354(8) . ?
N3 C41 1.371(7) . ?
N4 C54 1.172(8) . ?
C1 C2 1.389(9) . ?
C1 C6 1.465(8) . ?
C2 C3 1.389(9) . ?
C3 C4 1.378(9) . ?
C4 C5 1.391(9) . ?
C5 C12 1.463(9) . ?
C6 C11 1.408(8) . ?
C6 C7 1.434(8) . ?
C7 C8 1.391(8) . ?
C8 C9 1.385(8) . ?
C9 C10 1.393(9) . ?
C10 C11 1.387(8) . ?
C12 C17 1.386(8) . ?
C12 C13 1.437(8) . ?
C13 C14 1.398(8) . ?
C14 C15 1.405(8) . ?
C15 C16 1.395(9) . ?
C16 C17 1.393(9) . ?
C19 C24 1.374(9) . ?
C19 C20 1.412(8) . ?
C20 C21 1.359(8) . ?
C21 C22 1.389(10) . ?
C22 C23 1.369(9) . ?
C23 C24 1.397(9) . ?
C25 C30 1.380(8) . ?
C25 C26 1.387(8) . ?
C26 C27 1.377(9) . ?
C27 C28 1.377(9) . ?
C28 C29 1.400(9) . ?
C29 C30 1.389(8) . ?
C31 C32 1.387(9) . ?
C31 C36 1.399(8) . ?
C32 C33 1.393(10) . ?
C33 C34 1.370(10) . ?
C34 C35 1.379(10) . ?
C35 C36 1.390(9) . ?
C37 C38 1.385(9) . ?
C37 C42 1.484(9) . ?
C38 C39 1.389(9) . ?
C39 C40 1.370(9) . ?
C40 C41 1.398(9) . ?
C41 C48 1.463(9) . ?
C42 C47 1.382(9) . ?
C42 C43 1.438(9) . ?
C43 C44 1.409(8) . ?
C44 C45 1.400(9) . ?
C45 C46 1.406(10) . ?
C46 C47 1.402(9) . ?
C48 C53 1.393(8) . ?
C48 C49 1.438(8) . ?
C49 C50 1.372(8) . ?
C50 C51 1.405(8) . ?
C51 C52 1.381(9) . ?
C52 C53 1.398(10) . ?
C55 C56 1.394(8) . ?
C55 C60 1.397(9) . ?
C56 C57 1.395(9) . ?
C57 C58 1.375(9) . ?
C58 C59 1.368(9) . ?
C59 C60 1.371(9) . ?
C61 C66 1.382(9) . ?
C61 C62 1.401(8) . ?
C62 C63 1.379(9) . ?
C63 C64 1.379(10) . ?
C64 C65 1.401(10) . ?
C65 C66 1.391(9) . ?
C67 C72 1.375(9) . ?
C67 C68 1.389(9) . ?
C68 C69 1.369(9) . ?
C69 C70 1.378(10) . ?
C70 C71 1.374(11) . ?
C71 C72 1.376(9) . ?
Cl1 C73 1.749(7) . ?
Cl2 C73 1.766(7) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C18 Pt1 N1 177.6(2) . . ?
C18 Pt1 C13 96.5(2) . . ?
N1 Pt1 C13 81.4(2) . . ?
C18 Pt1 C7 101.5(2) . . ?
N1 Pt1 C7 80.6(2) . . ?
C13 Pt1 C7 161.9(2) . . ?
C18 Pt1 Ag1 84.26(17) . . ?
N1 Pt1 Ag1 95.95(14) . . ?
C13 Pt1 Ag1 126.35(15) . . ?
C7 Pt1 Ag1 57.56(15) . . ?
C54 Pt2 N3 177.4(2) . . ?
C54 Pt2 C49 97.2(2) . . ?
N3 Pt2 C49 81.2(2) . . ?
C54 Pt2 C43 101.5(2) . . ?
N3 Pt2 C43 80.2(2) . . ?
C49 Pt2 C43 161.3(2) . . ?
C54 Pt2 Ag2 77.54(18) . . ?
N3 Pt2 Ag2 101.75(14) . . ?
C49 Pt2 Ag2 125.74(16) . . ?
C43 Pt2 Ag2 60.69(16) . . ?
N4 Ag1 P1 130.43(14) . . ?
N4 Ag1 C7 107.93(19) . . ?
P1 Ag1 C7 119.59(14) . . ?
N4 Ag1 Pt1 107.01(13) . . ?
P1 Ag1 Pt1 116.08(4) . . ?
C7 Ag1 Pt1 44.63(13) . . ?
N2 Ag2 P2 133.77(14) . . ?
N2 Ag2 C43 107.92(19) . . ?
P2 Ag2 C43 112.93(15) . . ?
N2 Ag2 Pt2 115.56(14) . . ?
P2 Ag2 Pt2 108.64(4) . . ?
C43 Ag2 Pt2 44.26(14) . . ?
C25 P1 C19 106.9(3) . . ?
C25 P1 C31 105.0(3) . . ?
C19 P1 C31 102.9(3) . . ?
C25 P1 Ag1 112.0(2) . . ?
C19 P1 Ag1 111.3(2) . . ?
C31 P1 Ag1 117.8(2) . . ?
C61 P2 C55 107.3(3) . . ?
C61 P2 C67 103.4(3) . . ?
C55 P2 C67 104.4(3) . . ?
C61 P2 Ag2 118.0(2) . . ?
C55 P2 Ag2 110.86(19) . . ?
C67 P2 Ag2 111.8(2) . . ?
C1 N1 C5 123.7(5) . . ?
C1 N1 Pt1 119.3(4) . . ?
C5 N1 Pt1 117.0(4) . . ?
C18 N2 Ag2 151.9(5) . . ?
C37 N3 C41 123.2(6) . . ?
C37 N3 Pt2 119.3(4) . . ?
C41 N3 Pt2 117.5(4) . . ?
C54 N4 Ag1 167.0(5) . . ?
N1 C1 C2 119.0(6) . . ?
N1 C1 C6 111.9(5) . . ?
C2 C1 C6 129.0(6) . . ?
C3 C2 C1 118.4(7) . . ?
C4 C3 C2 121.5(6) . . ?
C3 C4 C5 119.4(6) . . ?
N1 C5 C4 117.9(6) . . ?
N1 C5 C12 114.1(5) . . ?
C4 C5 C12 128.0(6) . . ?
C11 C6 C7 120.5(6) . . ?
C11 C6 C1 121.2(6) . . ?
C7 C6 C1 118.2(5) . . ?
C8 C7 C6 116.6(5) . . ?
C8 C7 Pt1 133.1(5) . . ?
C6 C7 Pt1 110.0(4) . . ?
C8 C7 Ag1 94.4(4) . . ?
C6 C7 Ag1 105.6(4) . . ?
Pt1 C7 Ag1 77.81(17) . . ?
C9 C8 C7 122.7(6) . . ?
C8 C9 C10 120.2(6) . . ?
C11 C10 C9 119.5(6) . . ?
C10 C11 C6 120.3(6) . . ?
C17 C12 C13 121.3(6) . . ?
C17 C12 C5 122.7(6) . . ?
C13 C12 C5 116.0(5) . . ?
C14 C13 C12 116.9(5) . . ?
C14 C13 Pt1 131.7(5) . . ?
C12 C13 Pt1 111.4(4) . . ?
C13 C14 C15 121.4(6) . . ?
C16 C15 C14 120.3(6) . . ?
C15 C16 C17 119.6(6) . . ?
C12 C17 C16 120.4(6) . . ?
N2 C18 Pt1 178.1(6) . . ?
C24 C19 C20 118.0(6) . . ?
C24 C19 P1 124.1(5) . . ?
C20 C19 P1 117.9(5) . . ?
C21 C20 C19 120.9(6) . . ?
C20 C21 C22 120.3(6) . . ?
C23 C22 C21 120.0(6) . . ?
C22 C23 C24 119.6(7) . . ?
C19 C24 C23 121.2(6) . . ?
C30 C25 C26 118.2(6) . . ?
C30 C25 P1 124.5(5) . . ?
C26 C25 P1 117.2(5) . . ?
C27 C26 C25 121.1(6) . . ?
C26 C27 C28 120.5(6) . . ?
C27 C28 C29 119.5(6) . . ?
C30 C29 C28 118.9(6) . . ?
C25 C30 C29 121.7(6) . . ?
C32 C31 C36 119.7(6) . . ?
C32 C31 P1 123.6(5) . . ?
C36 C31 P1 116.8(5) . . ?
C31 C32 C33 119.1(6) . . ?
C34 C33 C32 121.1(7) . . ?
C33 C34 C35 120.3(7) . . ?
C34 C35 C36 119.6(7) . . ?
C35 C36 C31 120.2(6) . . ?
N3 C37 C38 119.8(6) . . ?
N3 C37 C42 112.7(6) . . ?
C38 C37 C42 127.5(6) . . ?
C37 C38 C39 118.1(6) . . ?
C40 C39 C38 121.4(6) . . ?
C39 C40 C41 120.0(6) . . ?
N3 C41 C40 117.3(6) . . ?
N3 C41 C48 113.2(5) . . ?
C40 C41 C48 129.5(6) . . ?
C47 C42 C43 121.8(6) . . ?
C47 C42 C37 122.7(6) . . ?
C43 C42 C37 115.5(6) . . ?
C44 C43 C42 116.2(6) . . ?
C44 C43 Pt2 131.4(5) . . ?
C42 C43 Pt2 112.3(4) . . ?
C44 C43 Ag2 89.5(4) . . ?
C42 C43 Ag2 111.2(4) . . ?
Pt2 C43 Ag2 75.05(18) . . ?
C45 C44 C43 121.9(6) . . ?
C44 C45 C46 120.3(6) . . ?
C47 C46 C45 119.0(6) . . ?
C42 C47 C46 120.6(7) . . ?
C53 C48 C49 122.0(6) . . ?
C53 C48 C41 121.5(6) . . ?
C49 C48 C41 116.4(5) . . ?
C50 C49 C48 115.8(5) . . ?
C50 C49 Pt2 132.7(5) . . ?
C48 C49 Pt2 111.5(4) . . ?
C49 C50 C51 123.2(6) . . ?
C52 C51 C50 119.7(6) . . ?
C51 C52 C53 119.9(6) . . ?
C48 C53 C52 119.3(6) . . ?
N4 C54 Pt2 177.8(6) . . ?
C56 C55 C60 119.5(6) . . ?
C56 C55 P2 124.4(5) . . ?
C60 C55 P2 116.0(5) . . ?
C55 C56 C57 118.7(6) . . ?
C58 C57 C56 120.8(7) . . ?
C59 C58 C57 120.1(7) . . ?
C60 C59 C58 120.4(7) . . ?
C59 C60 C55 120.3(6) . . ?
C66 C61 C62 118.7(6) . . ?
C66 C61 P2 118.8(5) . . ?
C62 C61 P2 122.4(5) . . ?
C63 C62 C61 121.0(7) . . ?
C64 C63 C62 120.1(7) . . ?
C63 C64 C65 119.7(6) . . ?
C66 C65 C64 119.8(7) . . ?
C61 C66 C65 120.7(6) . . ?
C72 C67 C68 118.6(6) . . ?
C72 C67 P2 118.7(5) . . ?
C68 C67 P2 122.6(5) . . ?
C69 C68 C67 119.8(7) . . ?
C68 C69 C70 121.2(7) . . ?
C71 C70 C69 119.3(6) . . ?
C72 C71 C70 119.5(7) . . ?
C67 C72 C71 121.5(7) . . ?
Cl1 C73 Cl2 111.4(4) . . ?

_refine_diff_density_max         2.474
_refine_diff_density_min         -1.702
_refine_diff_density_rms         0.200

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_7_amt889
_database_code_depnum_ccdc_archive 'CCDC 1858217'
_audit_update_record             
;
2019-02-05 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT307_7_amt889            
;
PROBLEM: Isolated Metal Atom found in Structure (Unusual) Tl1D Check
RESPONSE: This Tl atom is bonded to a Pt center and also it is interacting with two N atoms of CN ligands, thus it is not isolated at all
;
_vrf_PLAT308_7_amt889            
;
PROBLEM: Single Bonded Metal Atom in Structure (Unusual) Tl1B Check
RESPONSE: This Tl atom is bonded to a Pt center and also it is interacting with two N atoms of CN ligands, and this coordination mode is not unusual
;
# end Validation Reply Form


_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C17 H11 Cl N Pt Tl, 0.283(C3 H6 O), 0.192(H2 O)'
_chemical_formula_sum            'C17.85 H13.08 Cl N O0.47 Pt Tl'
_chemical_formula_weight         684.09

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'
Tl Tl -2.8358 9.6688 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   21.1251(4)
_cell_length_b                   19.1790(4)
_cell_length_c                   24.3449(5)
_cell_angle_alpha                90
_cell_angle_beta                 102.180(2)
_cell_angle_gamma                90
_cell_volume                     9641.5(4)
_cell_formula_units_Z            24
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    16661
_cell_measurement_theta_min      4.3060
_cell_measurement_theta_max      28.8560

_exptl_crystal_description       prism
_exptl_crystal_colour            'translucent light red'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.828
_exptl_crystal_F_000             7368
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2670
_exptl_crystal_size_mid          0.2005
_exptl_crystal_size_min          0.0744
_exptl_absorpt_coefficient_mu    18.875
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.08442
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
'Tue Oct 25 11:34:29 2016'
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_reflns_number            54965
_diffrn_reflns_av_unetI/netI     0.0702
_diffrn_reflns_av_R_equivalents  0.0650
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         4.284
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             16855
_reflns_number_gt                12675
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       
;
'Tue Oct 25 11:34:29 2016'
;
_computing_cell_refinement       
;
'Tue Oct 25 11:34:29 2016'
;
_computing_data_reduction        
;
'Tue Oct 25 11:34:29 2016'
;
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0960P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16855
_refine_ls_number_parameters     1220
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0648
_refine_ls_wR_factor_ref         0.1765
_refine_ls_wR_factor_gt          0.1582
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1A Pt 0.44977(3) -0.17411(4) 0.23999(3) 0.04218(17) Uani 1 1 d . . . . .
Tl1A Tl 0.36651(3) -0.18759(4) 0.32032(3) 0.05057(19) Uani 1 1 d . . . . .
Cl1A Cl 0.5317(2) -0.1777(2) 0.32111(16) 0.0485(10) Uani 1 1 d . . . . .
N1A N 0.3814(6) -0.1713(6) 0.1710(5) 0.036(3) Uani 1 1 d . . . . .
C1A C 0.4224(8) -0.0715(9) 0.2435(7) 0.048(4) Uani 1 1 d . . . . .
C2A C 0.4448(8) -0.0185(11) 0.2818(7) 0.052(4) Uani 1 1 d . . . . .
H2A H 0.4751 -0.0287 0.3157 0.062 Uiso 1 1 calc R U . . .
C3A C 0.4220(7) 0.0515(9) 0.2700(7) 0.043(4) Uani 1 1 d . . . . .
C4A C 0.3758(10) 0.0686(9) 0.2217(7) 0.054(5) Uani 1 1 d . . . . .
C5A C 0.3510(8) 0.0130(10) 0.1857(8) 0.053(4) Uani 1 1 d . . . . .
H5A H 0.3193 0.0224 0.1526 0.064 Uiso 1 1 calc R U . . .
C6A C 0.3718(7) -0.0551(8) 0.1970(7) 0.041(4) Uani 1 1 d . . . . .
C7A C 0.3476(7) -0.1103(8) 0.1584(6) 0.038(3) Uani 1 1 d . . . . .
C8A C 0.2985(8) -0.1123(9) 0.1115(6) 0.045(4) Uani 1 1 d . . . . .
H8A H 0.2755 -0.0703 0.1004 0.054 Uiso 1 1 calc R U . . .
C9A C 0.2805(8) -0.1698(10) 0.0799(6) 0.044(4) Uani 1 1 d . . . . .
H9A H 0.2444 -0.1695 0.0491 0.053 Uiso 1 1 calc R U . . .
C10A C 0.3171(8) -0.2287(10) 0.0946(6) 0.048(4) Uani 1 1 d . . . . .
H10A H 0.3066 -0.2696 0.0725 0.058 Uiso 1 1 calc R U . . .
C11A C 0.3688(8) -0.2310(8) 0.1404(5) 0.038(4) Uani 1 1 d . . . . .
C12A C 0.4149(8) -0.2875(9) 0.1598(7) 0.046(4) Uani 1 1 d . . . . .
C13A C 0.4622(8) -0.2742(9) 0.2097(6) 0.042(4) Uani 1 1 d . . . . .
C14A C 0.5089(7) -0.3245(10) 0.2291(8) 0.051(4) Uani 1 1 d . . . . .
H14A H 0.5407 -0.3170 0.2625 0.061 Uiso 1 1 calc R U . . .
C15A C 0.5082(8) -0.3855(9) 0.1990(8) 0.050(4) Uani 1 1 d . . . . .
H15A H 0.5396 -0.4203 0.2123 0.060 Uiso 1 1 calc R U . . .
C16A C 0.4636(9) -0.3970(10) 0.1509(7) 0.054(5) Uani 1 1 d . . . . .
H16A H 0.4654 -0.4391 0.1306 0.065 Uiso 1 1 calc R U . . .
C17A C 0.4157(7) -0.3488(10) 0.1308(7) 0.048(4) Uani 1 1 d . . . . .
H17A H 0.3841 -0.3578 0.0976 0.058 Uiso 1 1 calc R U . . .
Pt1B Pt 0.22761(3) -0.23818(4) 0.30490(3) 0.04539(18) Uani 1 1 d . . . . .
Tl1B Tl 0.09242(3) -0.25341(4) 0.23776(3) 0.04850(18) Uani 1 1 d . . . . .
Cl1B Cl 0.2420(2) -0.1755(3) 0.22596(17) 0.0537(11) Uani 1 1 d . . . . .
N1B N 0.2195(6) -0.2863(8) 0.3749(5) 0.049(4) Uani 1 1 d . . . . .
C1B C 0.2796(7) -0.3316(8) 0.2972(6) 0.037(4) Uani 1 1 d . . . . .
C2B C 0.3094(9) -0.3482(11) 0.2528(8) 0.062(5) Uani 1 1 d . . . . .
H2B H 0.3058 -0.3197 0.2203 0.074 Uiso 1 1 calc R U . . .
C3B C 0.3444(9) -0.4094(12) 0.2600(9) 0.067(6) Uani 1 1 d . . . . .
H3B H 0.3682 -0.4208 0.2323 0.080 Uiso 1 1 calc R U . . .
C4B C 0.3479(9) -0.4566(13) 0.3053(8) 0.067(6) Uani 1 1 d . . . . .
H4B H 0.3706 -0.4997 0.3078 0.081 Uiso 1 1 calc R U . . .
C5B C 0.3160(8) -0.4348(10) 0.3445(7) 0.051(4) Uani 1 1 d . . . . .
H5B H 0.3165 -0.4639 0.3761 0.061 Uiso 1 1 calc R U . . .
C6B C 0.2818(7) -0.3712(10) 0.3415(8) 0.054(5) Uani 1 1 d . . . . .
C7B C 0.2496(7) -0.3507(8) 0.3870(6) 0.040(4) Uani 1 1 d . . . . .
C8B C 0.2426(8) -0.3837(9) 0.4347(6) 0.045(4) Uani 1 1 d . . . . .
H8B H 0.2626 -0.4278 0.4441 0.054 Uiso 1 1 calc R U . . .
C9B C 0.2060(8) -0.3531(9) 0.4701(6) 0.047(4) Uani 1 1 d . . . . .
H9B H 0.2006 -0.3767 0.5031 0.056 Uiso 1 1 calc R U . . .
C10B C 0.1781(7) -0.2890(9) 0.4571(7) 0.045(4) Uani 1 1 d . . . . .
H10B H 0.1538 -0.2684 0.4815 0.054 Uiso 1 1 calc R U . . .
C11B C 0.1847(8) -0.2529(9) 0.4077(7) 0.044(4) Uani 1 1 d . . . . .
C12B C 0.1637(9) -0.1832(9) 0.3910(6) 0.046(4) Uani 1 1 d . . . . .
C13B C 0.1791(7) -0.1618(9) 0.3393(6) 0.042(4) Uani 1 1 d . . . . .
C14B C 0.1623(7) -0.0940(10) 0.3218(7) 0.051(4) Uani 1 1 d . . . . .
H14B H 0.1689 -0.0785 0.2863 0.061 Uiso 1 1 calc R U . . .
C15B C 0.1368(8) -0.0498(11) 0.3546(8) 0.060(5) Uani 1 1 d . . . . .
H15B H 0.1266 -0.0035 0.3421 0.072 Uiso 1 1 calc R U . . .
C16B C 0.1253(10) -0.0706(10) 0.4058(8) 0.060(5) Uani 1 1 d . . . . .
H16B H 0.1086 -0.0384 0.4288 0.072 Uiso 1 1 calc R U . . .
C17B C 0.1382(8) -0.1388(9) 0.4234(7) 0.047(4) Uani 1 1 d . . . . .
H17B H 0.1291 -0.1541 0.4581 0.057 Uiso 1 1 calc R U . . .
Pt1C Pt -0.05196(3) -0.27624(4) 0.25704(3) 0.04317(17) Uani 1 1 d . . . . .
Tl1C Tl -0.14213(3) -0.26302(5) 0.33062(3) 0.0574(2) Uani 1 1 d . . . . .
Cl1C Cl 0.0274(2) -0.2821(2) 0.33957(16) 0.0496(10) Uani 1 1 d . . . . .
N1C N -0.1159(7) -0.2730(8) 0.1862(5) 0.046(3) Uani 1 1 d . . . . .
C1C C -0.0414(8) -0.1729(9) 0.2366(7) 0.052(4) Uani 1 1 d . . . . .
C2C C 0.0012(8) -0.1205(10) 0.2606(7) 0.052(4) Uani 1 1 d . . . . .
H2C H 0.0305 -0.1296 0.2951 0.062 Uiso 1 1 calc R U . . .
C3C C 0.0024(8) -0.0561(11) 0.2363(8) 0.061(5) Uani 1 1 d . . . . .
H3C H 0.0323 -0.0220 0.2544 0.073 Uiso 1 1 calc R U . . .
C4C C -0.0399(8) -0.0394(10) 0.1849(8) 0.063(5) Uani 1 1 d . . . . .
H4C H -0.0394 0.0054 0.1683 0.075 Uiso 1 1 calc R U . . .
C5C C -0.0822(9) -0.0906(10) 0.1597(8) 0.057(5) Uani 1 1 d . . . . .
H5C H -0.1109 -0.0802 0.1251 0.068 Uiso 1 1 calc R U . . .
C6C C -0.0847(8) -0.1568(9) 0.1826(7) 0.050(4) Uani 1 1 d . . . . .
C7C C -0.1247(7) -0.2118(10) 0.1578(7) 0.048(4) Uani 1 1 d . . . . .
C8C C -0.1697(9) -0.2085(10) 0.1060(8) 0.057(5) Uani 1 1 d . . . . .
H8C H -0.1762 -0.1665 0.0849 0.069 Uiso 1 1 calc R U . . .
C9C C -0.2046(9) -0.2692(10) 0.0865(7) 0.054(5) Uani 1 1 d . . . . .
H9C H -0.2356 -0.2682 0.0520 0.065 Uiso 1 1 calc R U . . .
C10C C -0.1940(8) -0.3311(8) 0.1177(6) 0.043(4) Uani 1 1 d . . . . .
H10C H -0.2187 -0.3716 0.1051 0.052 Uiso 1 1 calc R U . . .
C11C C -0.1482(8) -0.3327(10) 0.1661(6) 0.047(4) Uani 1 1 d . . . . .
C12C C -0.1245(8) -0.3939(10) 0.2009(6) 0.049(4) Uani 1 1 d . . . . .
C13C C -0.0777(7) -0.3817(8) 0.2528(6) 0.039(4) Uani 1 1 d . . . . .
C14C C -0.0540(8) -0.4371(9) 0.2843(7) 0.048(4) Uani 1 1 d . . . . .
H14C H -0.0260 -0.4294 0.3199 0.057 Uiso 1 1 calc R U . . .
C15C C -0.0687(8) -0.5040(10) 0.2670(7) 0.048(4) Uani 1 1 d . . . . .
H15C H -0.0485 -0.5415 0.2895 0.058 Uiso 1 1 calc R U . . .
C16C C -0.1127(8) -0.5185(9) 0.2172(6) 0.046(4) Uani 1 1 d . . . . .
H16C H -0.1225 -0.5650 0.2050 0.055 Uiso 1 1 calc R U . . .
C17C C -0.1411(8) -0.4627(10) 0.1867(7) 0.048(4) Uani 1 1 d . . . . .
H17C H -0.1739 -0.4714 0.1542 0.058 Uiso 1 1 calc R U . . .
Pt1D Pt -0.26335(3) -0.17825(4) 0.31443(3) 0.04553(18) Uani 1 1 d . . . . .
Tl1D Tl 0.60279(3) -0.18613(4) 0.22151(3) 0.04815(18) Uani 1 1 d . . . . .
Cl1D Cl -0.2293(2) -0.1421(3) 0.23428(18) 0.0573(11) Uani 1 1 d . . . . .
N1D N -0.2990(6) -0.2040(7) 0.3792(5) 0.043(3) Uani 1 1 d . . . . .
C1D C -0.2348(7) -0.0915(10) 0.3645(7) 0.050(4) Uani 1 1 d . . . . .
C2D C -0.1958(10) -0.0346(11) 0.3572(8) 0.065(5) Uani 1 1 d . . . . .
H2D H -0.1797 -0.0317 0.3236 0.078 Uiso 1 1 calc R U . . .
C3D C -0.1792(11) 0.0188(10) 0.3979(8) 0.063(5) Uani 1 1 d . . . . .
H3D H -0.1521 0.0565 0.3923 0.076 Uiso 1 1 calc R U . . .
C4D C -0.2044(10) 0.0141(13) 0.4467(8) 0.071(6) Uani 1 1 d . . . . .
H4D H -0.1953 0.0496 0.4744 0.085 Uiso 1 1 calc R U . . .
C5D C -0.2436(9) -0.0443(11) 0.4546(7) 0.059(5) Uani 1 1 d . . . . .
H5D H -0.2601 -0.0471 0.4879 0.071 Uiso 1 1 calc R U . . .
C6D C -0.2579(7) -0.0956(10) 0.4156(6) 0.050(4) Uani 1 1 d . . . . .
C7D C -0.2943(7) -0.1578(10) 0.4230(7) 0.050(4) Uani 1 1 d . . . . .
C8D C -0.3224(9) -0.1744(11) 0.4685(7) 0.055(5) Uani 1 1 d . . . . .
H8D H -0.3211 -0.1427 0.4987 0.066 Uiso 1 1 calc R U . . .
C9D C -0.3515(9) -0.2377(11) 0.4678(6) 0.055(5) Uani 1 1 d . . . . .
H9D H -0.3714 -0.2490 0.4982 0.066 Uiso 1 1 calc R U . . .
C10D C -0.3541(8) -0.2867(10) 0.4254(7) 0.050(4) Uani 1 1 d . . . . .
H10D H -0.3737 -0.3310 0.4271 0.060 Uiso 1 1 calc R U . . .
C11D C -0.3268(8) -0.2679(9) 0.3808(6) 0.044(4) Uani 1 1 d . . . . .
C12D C -0.3243(9) -0.3104(10) 0.3306(7) 0.051(4) Uani 1 1 d . . . . .
C13D C -0.2947(8) -0.2798(8) 0.2884(7) 0.043(4) Uani 1 1 d . . . . .
C14D C -0.2925(7) -0.3166(10) 0.2412(6) 0.047(4) Uani 1 1 d . . . . .
H14D H -0.2757 -0.2956 0.2119 0.056 Uiso 1 1 calc R U . . .
C15D C -0.3145(9) -0.3839(10) 0.2357(8) 0.058(5) Uani 1 1 d . . . . .
H15D H -0.3133 -0.4087 0.2021 0.069 Uiso 1 1 calc R U . . .
C16D C -0.3387(10) -0.4172(12) 0.2784(8) 0.069(6) Uani 1 1 d . . . . .
H16D H -0.3512 -0.4649 0.2753 0.083 Uiso 1 1 calc R U . . .
C17D C -0.3438(8) -0.3783(10) 0.3250(7) 0.054(5) Uani 1 1 d . . . . .
H17D H -0.3614 -0.3993 0.3538 0.065 Uiso 1 1 calc R U . . .
Pt1E Pt -0.35704(3) -0.01308(4) 0.08115(3) 0.04207(17) Uani 1 1 d . . . . .
Tl1E Tl -0.29735(3) 0.00451(5) 0.19701(3) 0.0622(2) Uani 1 1 d . . . . .
Cl1E Cl -0.24646(19) -0.0269(2) 0.08351(17) 0.0494(10) Uani 1 1 d . . . . .
N1E N -0.4520(6) 0.0000(7) 0.0752(5) 0.039(3) Uani 1 1 d . . . . .
C1E C -0.3622(8) 0.0926(8) 0.0662(6) 0.041(4) Uani 1 1 d . . . . .
C2E C -0.3168(8) 0.1388(9) 0.0560(6) 0.047(4) Uani 1 1 d . . . . .
H2E H -0.2734 0.1237 0.0588 0.056 Uiso 1 1 calc R U . . .
C3E C -0.3334(10) 0.2088(11) 0.0415(7) 0.059(5) Uani 1 1 d . . . . .
H3E H -0.3005 0.2406 0.0369 0.070 Uiso 1 1 calc R U . . .
C4E C -0.3956(9) 0.2313(10) 0.0339(7) 0.051(4) Uani 1 1 d . . . . .
H4E H -0.4069 0.2776 0.0219 0.062 Uiso 1 1 calc R U . . .
C5E C -0.4419(8) 0.1851(10) 0.0441(6) 0.047(4) Uani 1 1 d . . . . .
H5E H -0.4850 0.2012 0.0412 0.056 Uiso 1 1 calc R U . . .
C6E C -0.4278(8) 0.1166(8) 0.0584(6) 0.041(4) Uani 1 1 d . . . . .
C7E C -0.4761(7) 0.0630(9) 0.0646(6) 0.044(4) Uani 1 1 d . . . . .
C8E C -0.5408(9) 0.0735(10) 0.0587(7) 0.057(5) Uani 1 1 d . . . . .
H8E H -0.5594 0.1186 0.0514 0.068 Uiso 1 1 calc R U . . .
C9E C -0.5799(7) 0.0138(11) 0.0637(6) 0.048(4) Uani 1 1 d . . . . .
H9E H -0.6252 0.0195 0.0603 0.058 Uiso 1 1 calc R U . . .
C10E C -0.5533(9) -0.0516(11) 0.0732(7) 0.058(5) Uani 1 1 d . . . . .
H10E H -0.5798 -0.0910 0.0757 0.070 Uiso 1 1 calc R U . . .
C11E C -0.4862(7) -0.0587(8) 0.0793(6) 0.038(3) Uani 1 1 d . . . . .
C12E C -0.4491(7) -0.1236(9) 0.0877(6) 0.043(4) Uani 1 1 d . . . . .
C13E C -0.3811(6) -0.1138(8) 0.0915(5) 0.032(3) Uani 1 1 d . . . . .
C14E C -0.3453(8) -0.1767(9) 0.0984(7) 0.046(4) Uani 1 1 d . . . . .
H14E H -0.2999 -0.1741 0.1007 0.055 Uiso 1 1 calc R U . . .
C15E C -0.3735(7) -0.2446(8) 0.1021(6) 0.040(4) Uani 1 1 d . . . . .
H15E H -0.3472 -0.2853 0.1084 0.048 Uiso 1 1 calc R U . . .
C16E C -0.4408(8) -0.2488(10) 0.0962(7) 0.052(4) Uani 1 1 d . . . . .
H16E H -0.4615 -0.2927 0.0966 0.062 Uiso 1 1 calc R U . . .
C17E C -0.4764(8) -0.1879(10) 0.0897(6) 0.045(4) Uani 1 1 d . . . . .
H17E H -0.5219 -0.1908 0.0866 0.054 Uiso 1 1 calc R U . . .
Pt1F Pt 0.36302(3) 0.05928(4) 0.40850(3) 0.04498(18) Uani 1 1 d . . . . .
Tl1F Tl 0.29402(3) -0.00364(4) 0.30253(3) 0.0543(2) Uani 1 1 d . . . . .
Cl1F Cl 0.2532(2) 0.0833(2) 0.39672(17) 0.0509(10) Uani 1 1 d . . . . .
N1F N 0.4561(6) 0.0402(8) 0.4192(5) 0.045(3) Uani 1 1 d . . . . .
C1F C 0.3928(8) 0.1614(10) 0.3973(7) 0.051(4) Uani 1 1 d . . . . .
C2F C 0.3595(8) 0.2209(10) 0.3890(7) 0.051(4) Uani 1 1 d . . . . .
H2F H 0.3136 0.2202 0.3838 0.061 Uiso 1 1 calc R U . . .
C3F C 0.3916(9) 0.2842(11) 0.3877(7) 0.057(5) Uani 1 1 d . . . . .
H3F H 0.3673 0.3262 0.3823 0.068 Uiso 1 1 calc R U . . .
C4F C 0.4562(10) 0.2870(10) 0.3939(8) 0.060(5) Uani 1 1 d . . . . .
H4F H 0.4774 0.3304 0.3922 0.071 Uiso 1 1 calc R U . . .
C5F C 0.4906(9) 0.2275(11) 0.4024(7) 0.061(5) Uani 1 1 d . . . . .
H5F H 0.5362 0.2292 0.4059 0.073 Uiso 1 1 calc R U . . .
C6F C 0.4612(9) 0.1640(10) 0.4063(6) 0.048(4) Uani 1 1 d . . . . .
C7F C 0.4941(8) 0.0961(10) 0.4147(6) 0.045(4) Uani 1 1 d . . . . .
C8F C 0.5619(9) 0.0827(11) 0.4234(7) 0.056(5) Uani 1 1 d . . . . .
H8F H 0.5906 0.1206 0.4223 0.067 Uiso 1 1 calc R U . . .
C9F C 0.5856(10) 0.0206(12) 0.4327(8) 0.063(5) Uani 1 1 d . . . . .
H9F H 0.6309 0.0130 0.4378 0.076 Uiso 1 1 calc R U . . .
C10F C 0.5433(9) -0.0357(11) 0.4352(6) 0.052(4) Uani 1 1 d . . . . .
H10F H 0.5599 -0.0818 0.4402 0.063 Uiso 1 1 calc R U . . .
C11F C 0.4780(8) -0.0238(10) 0.4303(6) 0.045(4) Uani 1 1 d . . . . .
C12F C 0.4271(8) -0.0754(9) 0.4346(6) 0.048(4) Uani 1 1 d . . . . .
C13F C 0.3630(8) -0.0478(9) 0.4254(6) 0.046(4) Uani 1 1 d . . . . .
C14F C 0.3148(8) -0.0929(9) 0.4358(6) 0.044(4) Uani 1 1 d . . . . .
H14F H 0.2714 -0.0768 0.4307 0.053 Uiso 1 1 calc R U . . .
C15F C 0.3295(9) -0.1607(11) 0.4535(7) 0.058(5) Uani 1 1 d . . . . .
H15F H 0.2965 -0.1903 0.4615 0.070 Uiso 1 1 calc R U . . .
C16F C 0.3923(9) -0.1858(10) 0.4596(7) 0.054(5) Uani 1 1 d . . . . .
H16F H 0.4009 -0.2333 0.4694 0.064 Uiso 1 1 calc R U . . .
C17F C 0.4417(9) -0.1443(11) 0.4521(7) 0.057(5) Uani 1 1 d . . . . .
H17F H 0.4849 -0.1614 0.4585 0.069 Uiso 1 1 calc R U . . .
O1 O -0.0483(9) 0.0760(10) 0.0596(8) 0.109(6) Uani 1 1 d D . . . .
C18 C 0.0043(12) 0.1082(14) 0.0635(10) 0.090(8) Uani 1 1 d D . . . .
C19 C 0.0235(12) 0.1562(12) 0.1102(9) 0.084(7) Uani 1 1 d D . . . .
H19A H 0.0650 0.1777 0.1083 0.126 Uiso 1 1 calc R U . . .
H19B H 0.0278 0.1308 0.1457 0.126 Uiso 1 1 calc R U . . .
H19C H -0.0095 0.1926 0.1081 0.126 Uiso 1 1 calc R U . . .
C20 C 0.0426(12) 0.0997(15) 0.0221(10) 0.098(8) Uani 1 1 d D . . . .
H20A H 0.0816 0.1287 0.0320 0.147 Uiso 1 1 calc R U . . .
H20B H 0.0174 0.1140 -0.0147 0.147 Uiso 1 1 calc R U . . .
H20C H 0.0552 0.0507 0.0206 0.147 Uiso 1 1 calc R U . . .
O2 O 0.0324(12) -0.1333(16) 0.4983(8) 0.112(9) Uani 0.7 1 d D . P A 1
C21 C -0.0143(13) -0.1037(19) 0.4675(13) 0.098(13) Uani 0.7 1 d D . P A 1
C22 C -0.0353(12) -0.1190(16) 0.4078(11) 0.071(9) Uani 0.7 1 d D . P A 1
H22A H -0.0728 -0.0899 0.3918 0.106 Uiso 0.7 1 calc R U P A 1
H22B H -0.0475 -0.1683 0.4029 0.106 Uiso 0.7 1 calc R U P A 1
H22C H 0.0001 -0.1092 0.3886 0.106 Uiso 0.7 1 calc R U P A 1
C23B C -0.055(2) -0.063(2) 0.4940(16) 0.130(17) Uani 0.7 1 d D . P A 1
H23A H -0.0901 -0.0428 0.4654 0.194 Uiso 0.7 1 calc R U P A 1
H23B H -0.0303 -0.0259 0.5159 0.194 Uiso 0.7 1 calc R U P A 1
H23C H -0.0744 -0.0930 0.5190 0.194 Uiso 0.7 1 calc R U P A 1
O3 O -0.1727(8) 0.0392(9) -0.0132(6) 0.091(5) Uani 1 1 d . . . . .
H3A H -0.2070 0.0264 -0.0014 0.137 Uiso 1 1 d R U . . .
H3G H -0.1396 0.0402 0.0150 0.137 Uiso 1 1 d R U . . .
O4 O -0.006(5) -0.018(5) 0.491(4) 0.07(3) Uiso 0.15 1 d . . P B 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1A N1A 1.971(12) . ?
Pt1A C1A 2.057(18) . ?
Pt1A C13A 2.094(16) . ?
Pt1A Cl1A 2.337(4) . ?
Pt1A Tl1A 2.9044(9) . ?
Pt1A Tl1D 3.3644(9) . ?
Tl1A Pt1B 3.0376(9) . ?
Tl1A Cl1B 3.115(4) . ?
Cl1A Tl1D 3.114(4) . ?
N1A C11A 1.361(18) . ?
N1A C7A 1.372(19) . ?
C1A C2A 1.39(2) . ?
C1A C6A 1.42(2) . ?
C2A C3A 1.44(2) . ?
C3A C4A 1.40(2) . ?
C4A C5A 1.41(2) . ?
C5A C6A 1.39(2) . ?
C6A C7A 1.44(2) . ?
C7A C8A 1.37(2) . ?
C8A C9A 1.35(2) . ?
C9A C10A 1.37(2) . ?
C10A C11A 1.39(2) . ?
C11A C12A 1.47(2) . ?
C12A C17A 1.37(2) . ?
C12A C13A 1.42(2) . ?
C13A C14A 1.39(2) . ?
C14A C15A 1.38(2) . ?
C15A C16A 1.36(2) . ?
C16A C17A 1.38(2) . ?
Pt1B N1B 1.978(15) . ?
Pt1B C13B 2.064(15) . ?
Pt1B C1B 2.132(16) . ?
Pt1B Cl1B 2.340(4) . ?
Pt1B Tl1B 2.9906(9) . ?
Tl1B Cl1C 3.125(4) . ?
Tl1B Pt1C 3.2124(9) . ?
N1B C11B 1.35(2) . ?
N1B C7B 1.39(2) . ?
C1B C6B 1.31(2) . ?
C1B C2B 1.40(2) . ?
C2B C3B 1.38(3) . ?
C3B C4B 1.42(3) . ?
C4B C5B 1.35(2) . ?
C5B C6B 1.41(2) . ?
C6B C7B 1.47(2) . ?
C7B C8B 1.36(2) . ?
C8B C9B 1.40(2) . ?
C9B C10B 1.37(2) . ?
C10B C11B 1.42(2) . ?
C11B C12B 1.44(2) . ?
C12B C17B 1.35(2) . ?
C12B C13B 1.43(2) . ?
C13B C14B 1.39(2) . ?
C14B C15B 1.35(3) . ?
C15B C16B 1.38(3) . ?
C16B C17B 1.38(3) . ?
Pt1C N1C 1.955(12) . ?
Pt1C C1C 2.068(17) . ?
Pt1C C13C 2.091(17) . ?
Pt1C Cl1C 2.333(4) . ?
Pt1C Tl1C 2.8882(9) . ?
Tl1C Pt1D 2.9883(10) . ?
N1C C7C 1.35(2) . ?
N1C C11C 1.37(2) . ?
C1C C2C 1.39(2) . ?
C1C C6C 1.47(2) . ?
C2C C3C 1.37(3) . ?
C3C C4C 1.41(2) . ?
C4C C5C 1.38(3) . ?
C5C C6C 1.39(2) . ?
C6C C7C 1.41(2) . ?
C7C C8C 1.41(2) . ?
C8C C9C 1.40(3) . ?
C9C C10C 1.40(2) . ?
C10C C11C 1.36(2) . ?
C11C C12C 1.47(2) . ?
C12C C17C 1.39(2) . ?
C12C C13C 1.45(2) . ?
C13C C14C 1.34(2) . ?
C14C C15C 1.37(2) . ?
C15C C16C 1.39(2) . ?
C16C C17C 1.37(2) . ?
Pt1D N1D 1.950(13) . ?
Pt1D C1D 2.076(18) . ?
Pt1D C13D 2.111(16) . ?
Pt1D Cl1D 2.323(4) . ?
Pt1D Tl1D 3.2309(9) 1_455 ?
Tl1D Pt1D 3.2309(9) 1_655 ?
N1D C11D 1.36(2) . ?
N1D C7D 1.37(2) . ?
C1D C2D 1.40(3) . ?
C1D C6D 1.43(2) . ?
C2D C3D 1.41(3) . ?
C3D C4D 1.40(3) . ?
C4D C5D 1.43(3) . ?
C5D C6D 1.36(3) . ?
C6D C7D 1.45(3) . ?
C7D C8D 1.40(3) . ?
C8D C9D 1.36(3) . ?
C9D C10D 1.39(3) . ?
C10D C11D 1.38(2) . ?
C11D C12D 1.48(2) . ?
C12D C17D 1.36(3) . ?
C12D C13D 1.44(2) . ?
C13D C14D 1.36(2) . ?
C14D C15D 1.37(2) . ?
C15D C16D 1.41(3) . ?
C16D C17D 1.38(3) . ?
Pt1E N1E 1.996(13) . ?
Pt1E C13E 2.027(15) . ?
Pt1E C1E 2.058(16) . ?
Pt1E Cl1E 2.340(4) . ?
Pt1E Tl1E 2.8563(9) . ?
N1E C7E 1.32(2) . ?
N1E C11E 1.352(19) . ?
C1E C2E 1.37(2) . ?
C1E C6E 1.43(2) . ?
C2E C3E 1.41(3) . ?
C3E C4E 1.36(3) . ?
C4E C5E 1.38(2) . ?
C5E C6E 1.38(2) . ?
C6E C7E 1.48(2) . ?
C7E C8E 1.36(2) . ?
C8E C9E 1.43(3) . ?
C9E C10E 1.37(3) . ?
C10E C11E 1.40(2) . ?
C11E C12E 1.46(2) . ?
C12E C17E 1.37(2) . ?
C12E C13E 1.43(2) . ?
C13E C14E 1.42(2) . ?
C14E C15E 1.44(2) . ?
C15E C16E 1.40(2) . ?
C16E C17E 1.38(2) . ?
Pt1F N1F 1.963(13) . ?
Pt1F C1F 2.092(19) . ?
Pt1F C13F 2.094(18) . ?
Pt1F Cl1F 2.323(4) . ?
Pt1F Tl1F 2.9409(9) . ?
Tl1F Cl1F 3.100(4) . ?
N1F C11F 1.32(2) . ?
N1F C7F 1.36(2) . ?
C1F C2F 1.33(3) . ?
C1F C6F 1.42(2) . ?
C2F C3F 1.40(3) . ?
C3F C4F 1.34(3) . ?
C4F C5F 1.35(3) . ?
C5F C6F 1.38(3) . ?
C6F C7F 1.47(2) . ?
C7F C8F 1.43(2) . ?
C8F C9F 1.29(3) . ?
C9F C10F 1.41(3) . ?
C10F C11F 1.38(2) . ?
C11F C12F 1.48(2) . ?
C12F C17F 1.40(3) . ?
C12F C13F 1.43(2) . ?
C13F C14F 1.40(2) . ?
C14F C15F 1.38(3) . ?
C15F C16F 1.39(2) . ?
C16F C17F 1.35(3) . ?
O1 C18 1.26(3) . ?
C18 C20 1.43(3) . ?
C18 C19 1.45(3) . ?
O2 C21 1.24(3) . ?
C21 C23B 1.42(3) . ?
C21 C22 1.46(3) . ?
O4 O4 0.82(17) 3_556 ?

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
N1A Pt1A C1A 81.3(6) . . ?
N1A Pt1A C13A 81.3(6) . . ?
C1A Pt1A C13A 161.6(6) . . ?
N1A Pt1A Cl1A 179.3(4) . . ?
C1A Pt1A Cl1A 99.1(5) . . ?
C13A Pt1A Cl1A 98.4(5) . . ?
N1A Pt1A Tl1A 97.9(4) . . ?
C1A Pt1A Tl1A 80.9(4) . . ?
C13A Pt1A Tl1A 107.1(4) . . ?
Cl1A Pt1A Tl1A 82.79(10) . . ?
N1A Pt1A Tl1D 116.1(4) . . ?
C1A Pt1A Tl1D 110.9(5) . . ?
C13A Pt1A Tl1D 72.2(4) . . ?
Cl1A Pt1A Tl1D 63.22(10) . . ?
Tl1A Pt1A Tl1D 145.02(3) . . ?
Pt1A Tl1A Pt1B 130.67(3) . . ?
Pt1A Tl1A Cl1B 91.96(8) . . ?
Pt1B Tl1A Cl1B 44.68(8) . . ?
Pt1A Cl1A Tl1D 74.72(11) . . ?
C11A N1A C7A 124.2(13) . . ?
C11A N1A Pt1A 117.9(10) . . ?
C7A N1A Pt1A 117.8(10) . . ?
C2A C1A C6A 117.6(16) . . ?
C2A C1A Pt1A 131.8(13) . . ?
C6A C1A Pt1A 110.5(12) . . ?
C1A C2A C3A 119.8(15) . . ?
C4A C3A C2A 122.2(15) . . ?
C3A C4A C5A 116.6(16) . . ?
C6A C5A C4A 121.9(17) . . ?
C5A C6A C1A 121.4(16) . . ?
C5A C6A C7A 120.6(15) . . ?
C1A C6A C7A 117.5(15) . . ?
C8A C7A N1A 115.4(14) . . ?
C8A C7A C6A 131.9(15) . . ?
N1A C7A C6A 112.7(13) . . ?
C9A C8A C7A 124.7(16) . . ?
C8A C9A C10A 116.5(14) . . ?
C9A C10A C11A 122.7(15) . . ?
N1A C11A C10A 116.4(15) . . ?
N1A C11A C12A 113.8(12) . . ?
C10A C11A C12A 129.7(14) . . ?
C17A C12A C13A 120.6(16) . . ?
C17A C12A C11A 123.1(15) . . ?
C13A C12A C11A 116.2(13) . . ?
C14A C13A C12A 119.1(15) . . ?
C14A C13A Pt1A 130.5(12) . . ?
C12A C13A Pt1A 110.3(12) . . ?
C15A C14A C13A 118.7(16) . . ?
C16A C15A C14A 121.7(17) . . ?
C15A C16A C17A 121.2(17) . . ?
C12A C17A C16A 118.6(16) . . ?
N1B Pt1B C13B 80.8(7) . . ?
N1B Pt1B C1B 79.9(6) . . ?
C13B Pt1B C1B 160.4(6) . . ?
N1B Pt1B Cl1B 176.0(4) . . ?
C13B Pt1B Cl1B 97.5(5) . . ?
C1B Pt1B Cl1B 101.6(4) . . ?
N1B Pt1B Tl1B 100.3(4) . . ?
C13B Pt1B Tl1B 78.0(4) . . ?
C1B Pt1B Tl1B 108.7(4) . . ?
Cl1B Pt1B Tl1B 82.85(10) . . ?
N1B Pt1B Tl1A 107.4(4) . . ?
C13B Pt1B Tl1A 105.8(4) . . ?
C1B Pt1B Tl1A 77.1(4) . . ?
Cl1B Pt1B Tl1A 69.41(10) . . ?
Tl1B Pt1B Tl1A 152.24(3) . . ?
Pt1B Tl1B Cl1C 96.45(7) . . ?
Pt1B Tl1B Pt1C 139.48(3) . . ?
Cl1C Tl1B Pt1C 43.17(7) . . ?
Pt1B Cl1B Tl1A 65.91(10) . . ?
C11B N1B C7B 125.2(15) . . ?
C11B N1B Pt1B 116.4(12) . . ?
C7B N1B Pt1B 118.5(11) . . ?
C6B C1B C2B 124.2(17) . . ?
C6B C1B Pt1B 110.0(11) . . ?
C2B C1B Pt1B 125.7(14) . . ?
C3B C2B C1B 114.3(18) . . ?
C2B C3B C4B 125.6(19) . . ?
C5B C4B C3B 114(2) . . ?
C4B C5B C6B 124.1(19) . . ?
C1B C6B C5B 118.1(16) . . ?
C1B C6B C7B 121.6(17) . . ?
C5B C6B C7B 120.3(18) . . ?
C8B C7B N1B 117.8(14) . . ?
C8B C7B C6B 132.1(17) . . ?
N1B C7B C6B 110.0(15) . . ?
C7B C8B C9B 120.2(17) . . ?
C10B C9B C8B 119.9(16) . . ?
C9B C10B C11B 121.4(16) . . ?
N1B C11B C10B 115.4(16) . . ?
N1B C11B C12B 116.5(15) . . ?
C10B C11B C12B 127.8(15) . . ?
C17B C12B C13B 121.9(16) . . ?
C17B C12B C11B 124.0(15) . . ?
C13B C12B C11B 113.7(14) . . ?
C14B C13B C12B 116.6(14) . . ?
C14B C13B Pt1B 131.0(13) . . ?
C12B C13B Pt1B 112.3(12) . . ?
C15B C14B C13B 120.8(17) . . ?
C14B C15B C16B 121.4(19) . . ?
C15B C16B C17B 119.5(18) . . ?
C12B C17B C16B 119.5(17) . . ?
N1C Pt1C C1C 81.2(6) . . ?
N1C Pt1C C13C 82.1(6) . . ?
C1C Pt1C C13C 162.8(6) . . ?
N1C Pt1C Cl1C 177.6(4) . . ?
C1C Pt1C Cl1C 99.2(5) . . ?
C13C Pt1C Cl1C 97.4(4) . . ?
N1C Pt1C Tl1C 97.0(4) . . ?
C1C Pt1C Tl1C 100.6(5) . . ?
C13C Pt1C Tl1C 85.2(4) . . ?
Cl1C Pt1C Tl1C 85.33(11) . . ?
N1C Pt1C Tl1B 111.5(4) . . ?
C1C Pt1C Tl1B 71.3(5) . . ?
C13C Pt1C Tl1B 111.7(4) . . ?
Cl1C Pt1C Tl1B 66.42(10) . . ?
Tl1C Pt1C Tl1B 148.16(3) . . ?
Pt1C Tl1C Pt1D 128.67(3) . . ?
Pt1C Cl1C Tl1B 70.41(10) . . ?
C7C N1C C11C 122.6(14) . . ?
C7C N1C Pt1C 118.2(11) . . ?
C11C N1C Pt1C 119.2(11) . . ?
C2C C1C C6C 116.8(15) . . ?
C2C C1C Pt1C 133.2(13) . . ?
C6C C1C Pt1C 109.8(12) . . ?
C3C C2C C1C 122.5(17) . . ?
C2C C3C C4C 121.3(18) . . ?
C5C C4C C3C 117.5(17) . . ?
C4C C5C C6C 123.1(18) . . ?
C5C C6C C7C 125.6(17) . . ?
C5C C6C C1C 118.8(17) . . ?
C7C C6C C1C 115.6(15) . . ?
N1C C7C C6C 115.2(15) . . ?
N1C C7C C8C 119.2(16) . . ?
C6C C7C C8C 125.5(17) . . ?
C9C C8C C7C 118.1(17) . . ?
C10C C9C C8C 120.4(16) . . ?
C11C C10C C9C 119.5(16) . . ?
C10C C11C N1C 120.0(16) . . ?
C10C C11C C12C 127.6(17) . . ?
N1C C11C C12C 112.3(14) . . ?
C17C C12C C13C 117.3(16) . . ?
C17C C12C C11C 125.3(14) . . ?
C13C C12C C11C 117.3(16) . . ?
C14C C13C C12C 118.3(16) . . ?
C14C C13C Pt1C 132.3(12) . . ?
C12C C13C Pt1C 108.8(11) . . ?
C13C C14C C15C 122.1(15) . . ?
C14C C15C C16C 121.6(17) . . ?
C17C C16C C15C 116.9(17) . . ?
C16C C17C C12C 123.4(15) . . ?
N1D Pt1D C1D 80.9(7) . . ?
N1D Pt1D C13D 81.9(6) . . ?
C1D Pt1D C13D 161.7(7) . . ?
N1D Pt1D Cl1D 174.9(4) . . ?
C1D Pt1D Cl1D 98.7(5) . . ?
C13D Pt1D Cl1D 99.0(5) . . ?
N1D Pt1D Tl1C 102.8(4) . . ?
C1D Pt1D Tl1C 103.0(4) . . ?
C13D Pt1D Tl1C 75.2(4) . . ?
Cl1D Pt1D Tl1C 82.22(12) . . ?
N1D Pt1D Tl1D 97.1(4) . 1_455 ?
C1D Pt1D Tl1D 123.5(4) . 1_455 ?
C13D Pt1D Tl1D 64.7(4) . 1_455 ?
Cl1D Pt1D Tl1D 78.83(12) . 1_455 ?
Tl1C Pt1D Tl1D 131.76(3) . 1_455 ?
Cl1A Tl1D Pt1D 86.95(8) . 1_655 ?
Cl1A Tl1D Pt1A 42.07(7) . . ?
Pt1D Tl1D Pt1A 128.82(3) 1_655 . ?
C11D N1D C7D 121.3(14) . . ?
C11D N1D Pt1D 119.5(11) . . ?
C7D N1D Pt1D 119.2(12) . . ?
C2D C1D C6D 118.1(16) . . ?
C2D C1D Pt1D 130.9(14) . . ?
C6D C1D Pt1D 110.9(13) . . ?
C1D C2D C3D 123(2) . . ?
C4D C3D C2D 118(2) . . ?
C3D C4D C5D 120(2) . . ?
C6D C5D C4D 121.6(17) . . ?
C5D C6D C1D 120.1(17) . . ?
C5D C6D C7D 123.7(16) . . ?
C1D C6D C7D 116.2(15) . . ?
N1D C7D C8D 119.6(17) . . ?
N1D C7D C6D 112.8(15) . . ?
C8D C7D C6D 127.6(17) . . ?
C9D C8D C7D 117.4(16) . . ?
C8D C9D C10D 124.1(17) . . ?
C11D C10D C9D 116.8(18) . . ?
N1D C11D C10D 120.7(16) . . ?
N1D C11D C12D 112.5(14) . . ?
C10D C11D C12D 126.9(17) . . ?
C17D C12D C13D 119.0(15) . . ?
C17D C12D C11D 123.2(16) . . ?
C13D C12D C11D 117.6(16) . . ?
C14D C13D C12D 119.4(16) . . ?
C14D C13D Pt1D 132.0(13) . . ?
C12D C13D Pt1D 108.6(11) . . ?
C13D C14D C15D 120.2(17) . . ?
C14D C15D C16D 121.6(17) . . ?
C17D C16D C15D 118(2) . . ?
C12D C17D C16D 121.7(17) . . ?
N1E Pt1E C13E 81.6(5) . . ?
N1E Pt1E C1E 81.3(6) . . ?
C13E Pt1E C1E 162.8(6) . . ?
N1E Pt1E Cl1E 177.2(4) . . ?
C13E Pt1E Cl1E 99.4(4) . . ?
C1E Pt1E Cl1E 97.6(5) . . ?
N1E Pt1E Tl1E 106.5(3) . . ?
C13E Pt1E Tl1E 93.4(4) . . ?
C1E Pt1E Tl1E 93.1(4) . . ?
Cl1E Pt1E Tl1E 76.04(10) . . ?
C7E N1E C11E 126.1(13) . . ?
C7E N1E Pt1E 118.0(10) . . ?
C11E N1E Pt1E 115.7(10) . . ?
C2E C1E C6E 117.6(15) . . ?
C2E C1E Pt1E 131.1(13) . . ?
C6E C1E Pt1E 110.7(11) . . ?
C1E C2E C3E 120.9(16) . . ?
C4E C3E C2E 121.3(17) . . ?
C3E C4E C5E 118.2(17) . . ?
C6E C5E C4E 122.3(17) . . ?
C5E C6E C1E 119.5(16) . . ?
C5E C6E C7E 124.9(15) . . ?
C1E C6E C7E 115.5(13) . . ?
N1E C7E C8E 119.7(16) . . ?
N1E C7E C6E 114.4(13) . . ?
C8E C7E C6E 125.9(16) . . ?
C7E C8E C9E 117.2(16) . . ?
C10E C9E C8E 121.5(15) . . ?
C9E C10E C11E 118.4(17) . . ?
N1E C11E C10E 117.1(15) . . ?
N1E C11E C12E 116.2(13) . . ?
C10E C11E C12E 126.7(15) . . ?
C17E C12E C13E 122.8(16) . . ?
C17E C12E C11E 123.8(14) . . ?
C13E C12E C11E 113.4(14) . . ?
C14E C13E C12E 113.5(14) . . ?
C14E C13E Pt1E 133.3(11) . . ?
C12E C13E Pt1E 113.1(11) . . ?
C13E C14E C15E 124.0(14) . . ?
C16E C15E C14E 118.0(15) . . ?
C17E C16E C15E 118.7(16) . . ?
C12E C17E C16E 122.9(15) . . ?
N1F Pt1F C1F 82.6(7) . . ?
N1F Pt1F C13F 80.4(6) . . ?
C1F Pt1F C13F 162.9(7) . . ?
N1F Pt1F Cl1F 179.2(4) . . ?
C1F Pt1F Cl1F 96.8(5) . . ?
C13F Pt1F Cl1F 100.2(5) . . ?
N1F Pt1F Tl1F 109.7(4) . . ?
C1F Pt1F Tl1F 112.1(4) . . ?
C13F Pt1F Tl1F 75.5(4) . . ?
Cl1F Pt1F Tl1F 71.07(10) . . ?
Pt1F Tl1F Cl1F 45.13(8) . . ?
Pt1F Cl1F Tl1F 63.80(10) . . ?
C11F N1F C7F 124.3(14) . . ?
C11F N1F Pt1F 120.0(11) . . ?
C7F N1F Pt1F 115.7(12) . . ?
C2F C1F C6F 118.7(17) . . ?
C2F C1F Pt1F 131.1(13) . . ?
C6F C1F Pt1F 109.8(13) . . ?
C1F C2F C3F 120.3(16) . . ?
C4F C3F C2F 121.4(18) . . ?
C3F C4F C5F 119.1(19) . . ?
C4F C5F C6F 121.5(18) . . ?
C5F C6F C1F 118.8(18) . . ?
C5F C6F C7F 125.8(16) . . ?
C1F C6F C7F 115.2(15) . . ?
N1F C7F C8F 116.0(17) . . ?
N1F C7F C6F 116.2(15) . . ?
C8F C7F C6F 127.6(16) . . ?
C9F C8F C7F 122.1(19) . . ?
C8F C9F C10F 119.1(19) . . ?
C11F C10F C9F 120.1(18) . . ?
N1F C11F C10F 118.3(16) . . ?
N1F C11F C12F 114.0(14) . . ?
C10F C11F C12F 127.7(18) . . ?
C17F C12F C13F 122.6(17) . . ?
C17F C12F C11F 122.3(16) . . ?
C13F C12F C11F 114.8(15) . . ?
C14F C13F C12F 116.4(16) . . ?
C14F C13F Pt1F 132.3(13) . . ?
C12F C13F Pt1F 110.8(12) . . ?
C15F C14F C13F 120.9(17) . . ?
C14F C15F C16F 120.3(19) . . ?
C17F C16F C15F 121.9(19) . . ?
C16F C17F C12F 117.8(18) . . ?
O1 C18 C20 121(2) . . ?
O1 C18 C19 118(2) . . ?
C20 C18 C19 121(2) . . ?
O2 C21 C23B 117(3) . . ?
O2 C21 C22 123(2) . . ?
C23B C21 C22 118(2) . . ?

_refine_diff_density_max         3.504
_refine_diff_density_min         -1.850
_refine_diff_density_rms         0.413

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_9'_amt990
_database_code_depnum_ccdc_archive 'CCDC 1858219'
_audit_update_record             
;
2018-11-06 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/8
_shelx_SHELXL_version_number     2014/8
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H30 N4 Pt2 S2 Tl, C16 H36 N, C H2 Cl2'
_chemical_formula_sum            'C61 H68 Cl2 N5 Pt2 S2 Tl'
_chemical_formula_weight         1600.77

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'
S S 0.1246 0.1234 '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'
Tl Tl -2.8358 9.6688 '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'

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

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

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

_cell_length_a                   13.8571(2)
_cell_length_b                   24.0654(5)
_cell_length_c                   17.5724(4)
_cell_angle_alpha                90
_cell_angle_beta                 103.3308(19)
_cell_angle_gamma                90
_cell_volume                     5702.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    18851
_cell_measurement_theta_min      3.4500
_cell_measurement_theta_max      30.1580

_exptl_crystal_description       block
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.865
_exptl_crystal_F_000             3088
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    7.924
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.59013
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41r (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_reflns_number            49714
_diffrn_reflns_av_unetI/netI     0.0418
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.215
_diffrn_reflns_theta_max         30.144
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.886
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.886
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.886
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0433018000
_diffrn_orient_matrix_UB_12      -0.0152533000
_diffrn_orient_matrix_UB_13      0.0172289000
_diffrn_orient_matrix_UB_21      0.0297248000
_diffrn_orient_matrix_UB_22      0.0210181000
_diffrn_orient_matrix_UB_23      -0.0113693000
_diffrn_orient_matrix_UB_31      0.0026177000
_diffrn_orient_matrix_UB_32      0.0139611000
_diffrn_orient_matrix_UB_33      0.0359756000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -37.00  50.00   1.00  125.00    --  -18.15  57.00-180.00   87
  2  ω    -92.00 -34.00   1.00  125.00    --  -18.15-179.00 -90.00   58
  3  ω    -25.00  22.00   1.00  125.00    --  -18.15 -99.00   0.00   47
  4  ω    -52.00  58.00   1.00  125.00    --   20.34 -19.00 120.00  110
  5  ω     34.00  95.00   1.00  125.00    --   20.34 179.00   0.00   61
  6  ω    -87.00 -62.00   1.00  125.00    --  -18.15 -77.00 150.00   25
;
_reflns_number_total             14927
_reflns_number_gt                12238
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_structure_solution    shelxs
_computing_structure_refinement  'SHELXL-2014/8 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0229P)²+11.9342P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14927
_refine_ls_number_parameters     662
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0336
_refine_ls_wR_factor_ref         0.0731
_refine_ls_wR_factor_gt          0.0684
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.43415(2) 0.80327(2) 0.75991(2) 0.01829(5) Uani 1 1 d . . . . .
Pt2 Pt 0.05539(2) 0.80351(2) 0.84358(2) 0.01591(4) Uani 1 1 d . . . . .
Tl Tl 0.24825(2) 0.81820(2) 0.80598(2) 0.01885(4) Uani 1 1 d . . . . .
S1 S 0.51078(8) 0.81312(5) 0.88921(7) 0.0230(2) Uani 1 1 d . . . . .
S2 S -0.02441(8) 0.82545(5) 0.71845(6) 0.0204(2) Uani 1 1 d . . . . .
N1 N 0.3902(3) 0.78841(18) 0.6453(2) 0.0251(9) Uani 1 1 d . . . . .
N2 N 0.3682(3) 0.88436(15) 0.9080(2) 0.0182(8) Uani 1 1 d . . . . .
N3 N 0.0994(2) 0.78039(16) 0.9552(2) 0.0183(8) Uani 1 1 d . . . . .
N4 N 0.1324(3) 0.88827(16) 0.7033(2) 0.0198(8) Uani 1 1 d . . . . .
C1 C 0.3755(3) 0.7352(2) 0.6225(3) 0.0288(12) Uani 1 1 d . . . . .
C2 C 0.3511(3) 0.7237(3) 0.5422(3) 0.0390(15) Uani 1 1 d . . . . .
H2 H 0.3406 0.6866 0.5239 0.047 Uiso 1 1 calc R U . . .
C3 C 0.3426(4) 0.7675(3) 0.4899(3) 0.0450(17) Uani 1 1 d . . . . .
H3 H 0.3257 0.7601 0.4353 0.054 Uiso 1 1 calc R U . . .
C4 C 0.3582(4) 0.8216(3) 0.5156(3) 0.0385(14) Uani 1 1 d . . . . .
H4 H 0.3521 0.8514 0.4792 0.046 Uiso 1 1 calc R U . . .
C5 C 0.3830(3) 0.8318(2) 0.5958(3) 0.0283(11) Uani 1 1 d . . . . .
C6 C 0.3871(3) 0.6952(2) 0.6860(3) 0.0262(11) Uani 1 1 d . . . . .
C7 C 0.4187(3) 0.7184(2) 0.7628(3) 0.0235(10) Uani 1 1 d . . . . .
C8 C 0.4267(3) 0.6804(2) 0.8241(3) 0.0311(12) Uani 1 1 d . . . . .
H8 H 0.4473 0.6936 0.8762 0.037 Uiso 1 1 calc R U . . .
C9 C 0.4060(4) 0.6243(2) 0.8124(4) 0.0381(13) Uani 1 1 d . . . . .
H9 H 0.4136 0.6001 0.8561 0.046 Uiso 1 1 calc R U . . .
C10 C 0.3743(4) 0.6033(2) 0.7375(4) 0.0440(15) Uani 1 1 d . . . . .
H10 H 0.3589 0.5650 0.7294 0.053 Uiso 1 1 calc R U . . .
C11 C 0.3652(4) 0.6388(2) 0.6745(4) 0.0398(14) Uani 1 1 d . . . . .
H11 H 0.3438 0.6248 0.6229 0.048 Uiso 1 1 calc R U . . .
C12 C 0.4065(3) 0.8855(2) 0.6353(3) 0.0261(11) Uani 1 1 d . . . . .
C13 C 0.4351(3) 0.8835(2) 0.7190(3) 0.0228(10) Uani 1 1 d . . . . .
C14 C 0.4604(3) 0.9347(2) 0.7561(3) 0.0272(10) Uani 1 1 d . . . . .
H14 H 0.4820 0.9356 0.8115 0.033 Uiso 1 1 calc R U . . .
C15 C 0.4551(4) 0.9843(2) 0.7151(3) 0.0355(13) Uani 1 1 d . . . . .
H15 H 0.4728 1.0181 0.7427 0.043 Uiso 1 1 calc R U . . .
C16 C 0.4241(4) 0.9851(2) 0.6339(4) 0.0413(14) Uani 1 1 d . . . . .
H16 H 0.4195 1.0192 0.6061 0.050 Uiso 1 1 calc R U . . .
C17 C 0.4003(4) 0.9357(3) 0.5945(3) 0.0372(13) Uani 1 1 d . . . . .
H17 H 0.3795 0.9357 0.5391 0.045 Uiso 1 1 calc R U . . .
C18 C 0.4629(3) 0.86807(18) 0.9346(2) 0.0189(9) Uani 1 1 d . . . . .
C19 C 0.5242(3) 0.8926(2) 1.0008(3) 0.0234(10) Uani 1 1 d . . . . .
H19 H 0.5910 0.8807 1.0188 0.028 Uiso 1 1 calc R U . . .
C20 C 0.4865(3) 0.9341(2) 1.0394(3) 0.0278(11) Uani 1 1 d . . . . .
H20 H 0.5270 0.9509 1.0846 0.033 Uiso 1 1 calc R U . . .
C21 C 0.3886(4) 0.9516(2) 1.0120(3) 0.0259(10) Uani 1 1 d . . . . .
H21 H 0.3611 0.9804 1.0372 0.031 Uiso 1 1 calc R U . . .
C22 C 0.3334(3) 0.92528(19) 0.9469(3) 0.0217(9) Uani 1 1 d . . . . .
H22 H 0.2665 0.9367 0.9280 0.026 Uiso 1 1 calc R U . . .
C23 C 0.1031(3) 0.7251(2) 0.9717(2) 0.0197(9) Uani 1 1 d . . . . .
C24 C 0.1229(3) 0.7083(2) 1.0489(3) 0.0268(11) Uani 1 1 d . . . . .
H24 H 0.1255 0.6699 1.0619 0.032 Uiso 1 1 calc R U . . .
C25 C 0.1391(3) 0.7485(2) 1.1069(3) 0.0272(11) Uani 1 1 d . . . . .
H25 H 0.1518 0.7373 1.1602 0.033 Uiso 1 1 calc R U . . .
C26 C 0.1369(3) 0.8041(2) 1.0891(3) 0.0241(10) Uani 1 1 d . . . . .
H26 H 0.1493 0.8311 1.1296 0.029 Uiso 1 1 calc R U . . .
C27 C 0.1165(3) 0.8204(2) 1.0111(3) 0.0211(9) Uani 1 1 d . . . . .
C28 C 0.0825(3) 0.6900(2) 0.8999(3) 0.0219(10) Uani 1 1 d . . . . .
C29 C 0.0535(3) 0.71859(19) 0.8284(3) 0.0198(9) Uani 1 1 d . . . . .
C30 C 0.0356(3) 0.68545(19) 0.7615(3) 0.0208(9) Uani 1 1 d . . . . .
H30 H 0.0132 0.7026 0.7119 0.025 Uiso 1 1 calc R U . . .
C31 C 0.0492(4) 0.6285(2) 0.7646(3) 0.0290(11) Uani 1 1 d . . . . .
H31 H 0.0381 0.6077 0.7175 0.035 Uiso 1 1 calc R U . . .
C32 C 0.0793(4) 0.6014(2) 0.8365(3) 0.0309(11) Uani 1 1 d . . . . .
H32 H 0.0883 0.5622 0.8386 0.037 Uiso 1 1 calc R U . . .
C33 C 0.0957(4) 0.6325(2) 0.9043(3) 0.0282(11) Uani 1 1 d . . . . .
H33 H 0.1160 0.6148 0.9537 0.034 Uiso 1 1 calc R U . . .
C34 C 0.1055(3) 0.8768(2) 0.9790(3) 0.0199(9) Uani 1 1 d . . . . .
C35 C 0.0747(3) 0.88098(19) 0.8962(3) 0.0197(9) Uani 1 1 d . . . . .
C36 C 0.0609(3) 0.9347(2) 0.8654(3) 0.0232(10) Uani 1 1 d . . . . .
H36 H 0.0394 0.9395 0.8104 0.028 Uiso 1 1 calc R U . . .
C37 C 0.0781(3) 0.9813(2) 0.9134(3) 0.0269(11) Uani 1 1 d . . . . .
H37 H 0.0678 1.0173 0.8908 0.032 Uiso 1 1 calc R U . . .
C38 C 0.1099(3) 0.9759(2) 0.9935(3) 0.0309(12) Uani 1 1 d . . . . .
H38 H 0.1223 1.0081 1.0257 0.037 Uiso 1 1 calc R U . . .
C39 C 0.1235(3) 0.9239(2) 1.0267(3) 0.0249(10) Uani 1 1 d . . . . .
H39 H 0.1450 0.9200 1.0818 0.030 Uiso 1 1 calc R U . . .
C40 C 0.0349(3) 0.87783(19) 0.6773(2) 0.0210(9) Uani 1 1 d . . . . .
C41 C -0.0215(4) 0.9059(2) 0.6132(3) 0.0394(14) Uani 1 1 d . . . . .
H41 H -0.0907 0.8989 0.5966 0.047 Uiso 1 1 calc R U . . .
C42 C 0.0226(4) 0.9436(3) 0.5740(4) 0.0507(18) Uani 1 1 d . . . . .
H42 H -0.0152 0.9625 0.5294 0.061 Uiso 1 1 calc R U . . .
C43 C 0.1242(4) 0.9543(2) 0.6001(3) 0.0406(14) Uani 1 1 d . . . . .
H43 H 0.1571 0.9801 0.5739 0.049 Uiso 1 1 calc R U . . .
C44 C 0.1742(3) 0.9260(2) 0.6645(3) 0.0241(10) Uani 1 1 d . . . . .
H44 H 0.2429 0.9335 0.6831 0.029 Uiso 1 1 calc R U . . .
N5 N 0.7523(3) 0.80595(15) 0.3749(2) 0.0184(8) Uani 1 1 d . . . . .
C45 C 0.8059(3) 0.85258(19) 0.3438(3) 0.0200(9) Uani 1 1 d . . . . .
H45A H 0.8588 0.8362 0.3215 0.024 Uiso 1 1 calc R U . . .
H45B H 0.8383 0.8765 0.3882 0.024 Uiso 1 1 calc R U . . .
C46 C 0.7407(3) 0.8889(2) 0.2819(3) 0.0239(10) Uani 1 1 d . . . . .
H46A H 0.7048 0.8654 0.2383 0.029 Uiso 1 1 calc R U . . .
H46B H 0.6910 0.9083 0.3047 0.029 Uiso 1 1 calc R U . . .
C47 C 0.8028(4) 0.9312(2) 0.2511(3) 0.0298(11) Uani 1 1 d . . . . .
H47A H 0.8542 0.9116 0.2304 0.036 Uiso 1 1 calc R U . . .
H47B H 0.8370 0.9553 0.2946 0.036 Uiso 1 1 calc R U . . .
C48 C 0.7414(4) 0.9671(2) 0.1870(3) 0.0392(14) Uani 1 1 d . . . . .
H48A H 0.7832 0.9966 0.1734 0.059 Uiso 1 1 calc R U . . .
H48B H 0.6864 0.9837 0.2054 0.059 Uiso 1 1 calc R U . . .
H48C H 0.7151 0.9442 0.1407 0.059 Uiso 1 1 calc R U . . .
C49 C 0.6944(3) 0.76963(18) 0.3084(2) 0.0184(9) Uani 1 1 d . . . . .
H49A H 0.6642 0.7385 0.3316 0.022 Uiso 1 1 calc R U . . .
H49B H 0.6396 0.7921 0.2770 0.022 Uiso 1 1 calc R U . . .
C50 C 0.7540(3) 0.7456(2) 0.2539(3) 0.0237(10) Uani 1 1 d . . . . .
H50A H 0.7998 0.7167 0.2817 0.028 Uiso 1 1 calc R U . . .
H50B H 0.7942 0.7752 0.2373 0.028 Uiso 1 1 calc R U . . .
C51 C 0.6843(3) 0.7200(2) 0.1819(3) 0.0268(10) Uani 1 1 d . . . . .
H51A H 0.7239 0.6977 0.1528 0.032 Uiso 1 1 calc R U . . .
H51B H 0.6376 0.6946 0.1994 0.032 Uiso 1 1 calc R U . . .
C52 C 0.6254(3) 0.7631(2) 0.1271(3) 0.0301(11) Uani 1 1 d . . . . .
H52A H 0.5851 0.7445 0.0810 0.045 Uiso 1 1 calc R U . . .
H52B H 0.6711 0.7891 0.1107 0.045 Uiso 1 1 calc R U . . .
H52C H 0.5821 0.7834 0.1542 0.045 Uiso 1 1 calc R U . . .
C53 C 0.8310(3) 0.77190(19) 0.4295(3) 0.0203(9) Uani 1 1 d . . . . .
H53A H 0.8732 0.7974 0.4672 0.024 Uiso 1 1 calc R U . . .
H53B H 0.8737 0.7542 0.3984 0.024 Uiso 1 1 calc R U . . .
C54 C 0.7922(3) 0.7268(2) 0.4753(3) 0.0247(10) Uani 1 1 d . . . . .
H54A H 0.7630 0.7439 0.5161 0.030 Uiso 1 1 calc R U . . .
H54B H 0.7399 0.7051 0.4398 0.030 Uiso 1 1 calc R U . . .
C55 C 0.8775(3) 0.6889(2) 0.5130(3) 0.0256(10) Uani 1 1 d . . . . .
H55A H 0.9295 0.7113 0.5477 0.031 Uiso 1 1 calc R U . . .
H55B H 0.9066 0.6727 0.4716 0.031 Uiso 1 1 calc R U . . .
C56 C 0.8466(4) 0.6421(2) 0.5604(3) 0.0404(14) Uani 1 1 d . . . . .
H56A H 0.9047 0.6196 0.5841 0.061 Uiso 1 1 calc R U . . .
H56B H 0.7972 0.6187 0.5260 0.061 Uiso 1 1 calc R U . . .
H56C H 0.8179 0.6578 0.6017 0.061 Uiso 1 1 calc R U . . .
C57 C 0.6761(3) 0.8284(2) 0.4174(2) 0.0197(9) Uani 1 1 d . . . . .
H57A H 0.6247 0.8489 0.3792 0.024 Uiso 1 1 calc R U . . .
H57B H 0.6431 0.7965 0.4363 0.024 Uiso 1 1 calc R U . . .
C58 C 0.7157(3) 0.8663(2) 0.4858(3) 0.0233(10) Uani 1 1 d . . . . .
H58A H 0.7471 0.8992 0.4677 0.028 Uiso 1 1 calc R U . . .
H58B H 0.7670 0.8465 0.5249 0.028 Uiso 1 1 calc R U . . .
C59 C 0.6332(3) 0.8852(2) 0.5237(3) 0.0270(11) Uani 1 1 d . . . . .
H59A H 0.6036 0.8523 0.5434 0.032 Uiso 1 1 calc R U . . .
H59B H 0.5806 0.9035 0.4838 0.032 Uiso 1 1 calc R U . . .
C60 C 0.6700(4) 0.9255(3) 0.5912(3) 0.0409(14) Uani 1 1 d . . . . .
H60A H 0.6155 0.9344 0.6161 0.061 Uiso 1 1 calc R U . . .
H60B H 0.6937 0.9596 0.5712 0.061 Uiso 1 1 calc R U . . .
H60C H 0.7243 0.9083 0.6296 0.061 Uiso 1 1 calc R U . . .
Cl1 Cl 0.70866(10) 0.89603(7) 0.83622(10) 0.0488(4) Uani 1 1 d . . . . .
Cl2 Cl 0.81334(11) 0.98782(6) 0.78078(9) 0.0432(3) Uani 1 1 d . . . . .
C61 C 0.8219(4) 0.9192(2) 0.8178(3) 0.0341(12) Uani 1 1 d . . . . .
H61A H 0.8418 0.8939 0.7797 0.041 Uiso 1 1 calc R U . . .
H61B H 0.8740 0.9177 0.8670 0.041 Uiso 1 1 calc R U . . .


_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 N1 1.997(4) . ?
Pt1 C7 2.055(5) . ?
Pt1 C13 2.061(5) . ?
Pt1 S1 2.2876(11) . ?
Pt1 Tl 2.8953(2) . ?
Pt2 N3 1.995(3) . ?
Pt2 C29 2.061(5) . ?
Pt2 C35 2.071(4) . ?
Pt2 S2 2.2836(11) . ?
Pt2 Tl 2.9184(2) . ?
Tl N2 2.671(4) . ?
Tl N4 2.710(4) . ?
S1 C18 1.752(5) . ?
S2 C40 1.750(5) . ?
N1 C1 1.343(6) . ?
N1 C5 1.349(7) . ?
N2 C18 1.346(5) . ?
N2 C22 1.349(6) . ?
N3 C27 1.357(6) . ?
N3 C23 1.360(6) . ?
N4 C44 1.345(6) . ?
N4 C40 1.346(5) . ?
C1 C2 1.400(7) . ?
C1 C6 1.455(7) . ?
C2 C3 1.385(9) . ?
C3 C4 1.379(9) . ?
C4 C5 1.393(7) . ?
C5 C12 1.468(7) . ?
C6 C11 1.393(7) . ?
C6 C7 1.434(6) . ?
C7 C8 1.398(7) . ?
C8 C9 1.384(7) . ?
C9 C10 1.385(8) . ?
C10 C11 1.381(8) . ?
C12 C17 1.396(7) . ?
C12 C13 1.432(6) . ?
C13 C14 1.402(7) . ?
C14 C15 1.387(7) . ?
C15 C16 1.391(8) . ?
C16 C17 1.377(8) . ?
C18 C19 1.403(6) . ?
C19 C20 1.377(7) . ?
C20 C21 1.396(7) . ?
C21 C22 1.375(6) . ?
C23 C24 1.381(6) . ?
C23 C28 1.490(6) . ?
C24 C25 1.385(7) . ?
C25 C26 1.373(7) . ?
C26 C27 1.390(6) . ?
C27 C34 1.463(7) . ?
C28 C33 1.396(7) . ?
C28 C29 1.407(6) . ?
C29 C30 1.395(6) . ?
C30 C31 1.382(7) . ?
C31 C32 1.397(7) . ?
C32 C33 1.381(7) . ?
C34 C39 1.398(6) . ?
C34 C35 1.422(6) . ?
C35 C36 1.399(6) . ?
C36 C37 1.390(6) . ?
C37 C38 1.382(7) . ?
C38 C39 1.375(7) . ?
C40 C41 1.390(6) . ?
C41 C42 1.366(7) . ?
C42 C43 1.400(7) . ?
C43 C44 1.364(7) . ?
N5 C45 1.515(5) . ?
N5 C53 1.516(5) . ?
N5 C57 1.527(5) . ?
N5 C49 1.530(5) . ?
C45 C46 1.520(6) . ?
C46 C47 1.511(6) . ?
C47 C48 1.516(6) . ?
C49 C50 1.517(6) . ?
C50 C51 1.533(6) . ?
C51 C52 1.517(7) . ?
C53 C54 1.521(6) . ?
C54 C55 1.519(6) . ?
C55 C56 1.521(7) . ?
C57 C58 1.507(6) . ?
C58 C59 1.519(6) . ?
C59 C60 1.526(7) . ?
Cl1 C61 1.764(5) . ?
Cl2 C61 1.770(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 C7 80.68(18) . . ?
N1 Pt1 C13 80.83(18) . . ?
C7 Pt1 C13 161.51(18) . . ?
N1 Pt1 S1 169.66(11) . . ?
C7 Pt1 S1 96.04(14) . . ?
C13 Pt1 S1 102.17(13) . . ?
N1 Pt1 Tl 102.72(10) . . ?
C7 Pt1 Tl 90.68(12) . . ?
C13 Pt1 Tl 93.39(12) . . ?
S1 Pt1 Tl 87.05(3) . . ?
N3 Pt2 C29 80.96(17) . . ?
N3 Pt2 C35 80.38(17) . . ?
C29 Pt2 C35 161.31(17) . . ?
N3 Pt2 S2 169.05(10) . . ?
C29 Pt2 S2 96.64(12) . . ?
C35 Pt2 S2 101.89(13) . . ?
N3 Pt2 Tl 99.70(10) . . ?
C29 Pt2 Tl 94.36(12) . . ?
C35 Pt2 Tl 87.79(11) . . ?
S2 Pt2 Tl 91.12(3) . . ?
N2 Tl N4 104.92(11) . . ?
N2 Tl Pt1 78.78(8) . . ?
N4 Tl Pt1 108.65(8) . . ?
N2 Tl Pt2 112.39(8) . . ?
N4 Tl Pt2 78.06(8) . . ?
Pt1 Tl Pt2 165.579(8) . . ?
C18 S1 Pt1 113.12(15) . . ?
C40 S2 Pt2 113.28(15) . . ?
C1 N1 C5 124.2(4) . . ?
C1 N1 Pt1 117.5(4) . . ?
C5 N1 Pt1 118.2(3) . . ?
C18 N2 C22 118.0(4) . . ?
C18 N2 Tl 117.8(3) . . ?
C22 N2 Tl 122.4(3) . . ?
C27 N3 C23 123.3(4) . . ?
C27 N3 Pt2 118.5(3) . . ?
C23 N3 Pt2 118.0(3) . . ?
C44 N4 C40 118.0(4) . . ?
C44 N4 Tl 120.0(3) . . ?
C40 N4 Tl 120.3(3) . . ?
N1 C1 C2 118.3(5) . . ?
N1 C1 C6 114.8(4) . . ?
C2 C1 C6 126.9(5) . . ?
C3 C2 C1 118.9(6) . . ?
C4 C3 C2 121.2(5) . . ?
C3 C4 C5 118.7(6) . . ?
N1 C5 C4 118.7(5) . . ?
N1 C5 C12 113.6(4) . . ?
C4 C5 C12 127.6(5) . . ?
C11 C6 C7 121.6(5) . . ?
C11 C6 C1 123.5(5) . . ?
C7 C6 C1 114.8(4) . . ?
C8 C7 C6 115.0(5) . . ?
C8 C7 Pt1 132.9(4) . . ?
C6 C7 Pt1 112.0(4) . . ?
C9 C8 C7 123.2(5) . . ?
C8 C9 C10 120.4(6) . . ?
C11 C10 C9 119.1(5) . . ?
C10 C11 C6 120.7(5) . . ?
C17 C12 C13 121.8(5) . . ?
C17 C12 C5 122.5(5) . . ?
C13 C12 C5 115.7(4) . . ?
C14 C13 C12 115.3(5) . . ?
C14 C13 Pt1 133.1(4) . . ?
C12 C13 Pt1 111.6(3) . . ?
C15 C14 C13 122.5(5) . . ?
C14 C15 C16 120.7(5) . . ?
C17 C16 C15 119.0(5) . . ?
C16 C17 C12 120.6(5) . . ?
N2 C18 C19 121.4(4) . . ?
N2 C18 S1 120.2(3) . . ?
C19 C18 S1 118.3(3) . . ?
C20 C19 C18 119.2(4) . . ?
C19 C20 C21 119.8(4) . . ?
C22 C21 C20 117.3(4) . . ?
N2 C22 C21 124.2(4) . . ?
N3 C23 C24 118.9(4) . . ?
N3 C23 C28 112.6(4) . . ?
C24 C23 C28 128.4(5) . . ?
C23 C24 C25 118.7(5) . . ?
C26 C25 C24 121.4(4) . . ?
C25 C26 C27 119.3(4) . . ?
N3 C27 C26 118.3(5) . . ?
N3 C27 C34 113.2(4) . . ?
C26 C27 C34 128.5(4) . . ?
C33 C28 C29 122.8(4) . . ?
C33 C28 C23 121.2(4) . . ?
C29 C28 C23 116.0(4) . . ?
C30 C29 C28 115.6(4) . . ?
C30 C29 Pt2 132.1(3) . . ?
C28 C29 Pt2 112.1(3) . . ?
C31 C30 C29 122.5(4) . . ?
C30 C31 C32 120.6(5) . . ?
C33 C32 C31 118.8(5) . . ?
C32 C33 C28 119.8(5) . . ?
C39 C34 C35 121.7(4) . . ?
C39 C34 C27 122.2(4) . . ?
C35 C34 C27 116.1(4) . . ?
C36 C35 C34 116.4(4) . . ?
C36 C35 Pt2 131.9(3) . . ?
C34 C35 Pt2 111.7(3) . . ?
C37 C36 C35 121.5(4) . . ?
C38 C37 C36 120.8(5) . . ?
C39 C38 C37 119.9(5) . . ?
C38 C39 C34 119.8(4) . . ?
N4 C40 C41 121.1(4) . . ?
N4 C40 S2 121.6(3) . . ?
C41 C40 S2 117.1(3) . . ?
C42 C41 C40 119.9(5) . . ?
C41 C42 C43 119.3(5) . . ?
C44 C43 C42 117.4(5) . . ?
N4 C44 C43 124.2(4) . . ?
C45 N5 C53 106.8(3) . . ?
C45 N5 C57 111.4(3) . . ?
C53 N5 C57 111.0(3) . . ?
C45 N5 C49 111.3(3) . . ?
C53 N5 C49 110.4(3) . . ?
C57 N5 C49 106.0(3) . . ?
N5 C45 C46 115.1(3) . . ?
C47 C46 C45 110.5(4) . . ?
C46 C47 C48 112.4(4) . . ?
C50 C49 N5 115.7(3) . . ?
C49 C50 C51 110.1(4) . . ?
C52 C51 C50 113.2(4) . . ?
N5 C53 C54 115.5(3) . . ?
C55 C54 C53 108.9(4) . . ?
C54 C55 C56 113.2(4) . . ?
C58 C57 N5 116.0(3) . . ?
C57 C58 C59 110.9(4) . . ?
C58 C59 C60 112.3(4) . . ?
Cl1 C61 Cl2 112.0(3) . . ?

_refine_diff_density_max         2.043
_refine_diff_density_min         -1.717
_refine_diff_density_rms         0.159

####################################################################### 
# 
# 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_10'_amt1001
_database_code_depnum_ccdc_archive 'CCDC 1858220'
_audit_update_record             
;
2018-11-06 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/4
_shelx_SHELXL_version_number     2016/4
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C22 H15 N2 Pt S Tl'
_chemical_formula_sum            'C22 H15 N2 Pt S Tl'
_chemical_formula_weight         738.88

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'
S S 0.1246 0.1234 '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'
Tl Tl -2.8358 9.6688 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

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

_cell_length_a                   10.8874(2)
_cell_length_b                   22.7857(6)
_cell_length_c                   23.2532(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5768.6(2)
_cell_formula_units_Z            12
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9878
_cell_measurement_theta_min      3.3330
_cell_measurement_theta_max      31.1780

_exptl_crystal_description       trapezoid
_exptl_crystal_colour            'translucent dark green'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.552
_exptl_crystal_F_000             4032
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    15.754
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.18508
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41r (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_reflns_number            35383
_diffrn_reflns_av_unetI/netI     0.1052
_diffrn_reflns_av_R_equivalents  0.0709
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         3.179
_diffrn_reflns_theta_max         31.235
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.918
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.870
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0289853000
_diffrn_orient_matrix_UB_12      0.0265496000
_diffrn_orient_matrix_UB_13      -0.0083643000
_diffrn_orient_matrix_UB_21      0.0196216000
_diffrn_orient_matrix_UB_22      0.0045640000
_diffrn_orient_matrix_UB_23      0.0287446000
_diffrn_orient_matrix_UB_31      0.0549503000
_diffrn_orient_matrix_UB_32      -0.0155997000
_diffrn_orient_matrix_UB_33      -0.0058488000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -6.00  92.00   1.00  110.00    --   22.76  77.00   0.00   98
  2  ω     -6.00  90.00   1.00  110.00    --   22.76  77.00-180.00   96
  3  ω      3.00  63.00   1.00  110.00    --   22.76  77.00 -60.00   60
;
_reflns_number_total             16324
_reflns_number_gt                12883
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.740
_reflns_Friedel_fraction_max     0.813
_reflns_Friedel_fraction_full    0.998

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

_computing_data_collection       'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0400P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 4339 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.023(11)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         16324
_refine_ls_number_parameters     730
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0796
_refine_ls_R_factor_gt           0.0553
_refine_ls_wR_factor_ref         0.1142
_refine_ls_wR_factor_gt          0.1015
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
PT1 Pt 0.12029(6) 0.72278(3) 0.75547(2) 0.01662(14) Uani 1 1 d . . . . .
PT2 Pt 0.54704(6) 0.74097(3) 0.61510(3) 0.01693(14) Uani 1 1 d . . . . .
PT3 Pt 0.42120(5) 0.76193(3) 0.98372(2) 0.01725(14) Uani 1 1 d . . . . .
TL1 Tl -0.11094(6) 0.68342(4) 0.79583(3) 0.02502(16) Uani 1 1 d . . . . .
TL2 Tl 0.36894(6) 0.71741(3) 0.70022(3) 0.02185(15) Uani 1 1 d . . . . .
TL3 Tl 0.66831(6) 0.77247(4) 1.03124(3) 0.02361(17) Uani 1 1 d . . . . .
S1 S 0.2127(4) 0.6839(2) 0.83498(19) 0.0238(10) Uani 1 1 d . . . . .
S2 S 0.6893(4) 0.6840(2) 0.66107(19) 0.0215(9) Uani 1 1 d . . . . .
S3 S 0.3589(4) 0.7550(2) 1.07889(17) 0.0236(10) Uani 1 1 d . . . . .
N1 N 0.0632(11) 0.7645(7) 0.6843(5) 0.018(3) Uani 1 1 d . U . . .
N2 N 0.0315(15) 0.6047(7) 0.8459(6) 0.029(4) Uani 1 1 d . . . . .
N3 N 0.4381(13) 0.7965(6) 0.5721(6) 0.019(3) Uani 1 1 d . U . . .
N4 N 0.5014(13) 0.6236(7) 0.7093(6) 0.020(3) Uani 1 1 d . . . . .
N5 N 0.4750(11) 0.7755(7) 0.9020(5) 0.015(3) Uani 1 1 d . U . . .
N6 N 0.2373(12) 0.6551(7) 1.0533(6) 0.020(3) Uani 1 1 d . . . . .
C1 C 0.0665(15) 0.8241(8) 0.6850(7) 0.021(4) Uani 1 1 d . . . . .
C2 C 0.0432(18) 0.8539(10) 0.6340(8) 0.030(5) Uani 1 1 d . . . . .
H2 H 0.045918 0.895577 0.632798 0.036 Uiso 1 1 calc R U . . .
C3 C 0.0162(19) 0.8222(11) 0.5852(9) 0.036(5) Uani 1 1 d . . . . .
H3 H -0.001763 0.842073 0.550293 0.043 Uiso 1 1 calc R U . . .
C4 C 0.0150(16) 0.7609(10) 0.5868(7) 0.029(4) Uani 1 1 d . . . . .
H4 H -0.003284 0.739760 0.552681 0.034 Uiso 1 1 calc R U . . .
C5 C 0.0396(15) 0.7307(8) 0.6362(6) 0.019(4) Uani 1 1 d . . . . .
C6 C 0.0951(15) 0.8493(9) 0.7411(7) 0.022(4) Uani 1 1 d . . . . .
C7 C 0.1265(16) 0.8076(8) 0.7858(7) 0.023(4) Uani 1 1 d . . . . .
C8 C 0.1510(16) 0.8306(10) 0.8393(8) 0.027(4) Uani 1 1 d . . . . .
H8 H 0.174117 0.804840 0.869606 0.033 Uiso 1 1 calc R U . . .
C9 C 0.1428(17) 0.8902(10) 0.8503(8) 0.032(5) Uani 1 1 d . . . . .
H9 H 0.159261 0.904397 0.887917 0.038 Uiso 1 1 calc R U . . .
C10 C 0.1111(16) 0.9295(8) 0.8076(8) 0.027(4) Uani 1 1 d . . . . .
H10 H 0.104314 0.970189 0.815964 0.033 Uiso 1 1 calc R U . . .
C11 C 0.0891(17) 0.9090(8) 0.7522(9) 0.028(4) Uani 1 1 d . . . . .
H11 H 0.070182 0.935740 0.722135 0.034 Uiso 1 1 calc R U . . .
C12 C 0.0518(17) 0.6678(9) 0.6458(8) 0.027(4) Uani 1 1 d . . . . .
C13 C 0.0913(15) 0.6501(9) 0.7016(8) 0.025(4) Uani 1 1 d . . . . .
C14 C 0.1099(16) 0.5898(8) 0.7102(8) 0.023(4) Uani 1 1 d . . . . .
H14 H 0.138583 0.576164 0.746403 0.028 Uiso 1 1 calc R U . . .
C15 C 0.0869(17) 0.5497(9) 0.6664(8) 0.029(4) Uani 1 1 d . . . . .
H15 H 0.099458 0.509056 0.673442 0.034 Uiso 1 1 calc R U . . .
C16 C 0.0462(19) 0.5675(11) 0.6130(10) 0.042(6) Uani 1 1 d . . . . .
H16 H 0.032253 0.539579 0.583360 0.051 Uiso 1 1 calc R U . . .
C17 C 0.0258(19) 0.6268(11) 0.6031(9) 0.040(6) Uani 1 1 d . . . . .
H17 H -0.005839 0.639427 0.567059 0.049 Uiso 1 1 calc R U . . .
C18 C 0.1455(17) 0.6189(9) 0.8603(7) 0.023(4) Uani 1 1 d . . . . .
C19 C 0.2142(18) 0.5852(10) 0.8994(7) 0.027(5) Uani 1 1 d . . . . .
H19 H 0.293767 0.597476 0.911134 0.032 Uiso 1 1 calc R U . . .
C20 C 0.165(2) 0.5348(9) 0.9200(8) 0.035(5) Uani 1 1 d . . . . .
H20 H 0.211127 0.510529 0.945095 0.042 Uiso 1 1 calc R U . . .
C21 C 0.047(2) 0.5187(9) 0.9048(8) 0.032(5) Uani 1 1 d . U . . .
H21 H 0.011653 0.483696 0.919456 0.038 Uiso 1 1 calc R U . . .
C22 C -0.016(2) 0.5540(9) 0.8683(7) 0.029(5) Uani 1 1 d . . . . .
H22 H -0.097215 0.543030 0.857849 0.035 Uiso 1 1 calc R U . . .
C23 C 0.4539(19) 0.8543(8) 0.5782(7) 0.024(4) Uani 1 1 d . . . . .
C24 C 0.3781(18) 0.8928(9) 0.5473(7) 0.027(4) Uani 1 1 d . . . . .
H24 H 0.388671 0.934049 0.550583 0.032 Uiso 1 1 calc R U . . .
C25 C 0.2893(19) 0.8703(9) 0.5126(8) 0.032(5) Uani 1 1 d . . . . .
H25 H 0.238291 0.896037 0.491117 0.038 Uiso 1 1 calc R U . . .
C26 C 0.2730(18) 0.8119(9) 0.5084(7) 0.027(4) Uani 1 1 d . . . . .
H26 H 0.209121 0.797458 0.484480 0.032 Uiso 1 1 calc R U . . .
C27 C 0.3469(16) 0.7714(8) 0.5382(7) 0.022(4) Uani 1 1 d . . . . .
C28 C 0.5611(16) 0.8681(9) 0.6164(7) 0.023(4) Uani 1 1 d . . . . .
C29 C 0.6278(15) 0.8195(8) 0.6385(6) 0.017(3) Uani 1 1 d . U . . .
C30 C 0.7292(16) 0.8324(10) 0.6716(7) 0.027(5) Uani 1 1 d . . . . .
H30 H 0.777707 0.801093 0.686299 0.032 Uiso 1 1 calc R U . . .
C31 C 0.7621(18) 0.8892(10) 0.6840(8) 0.031(5) Uani 1 1 d . . . . .
H31 H 0.832392 0.896189 0.707229 0.037 Uiso 1 1 calc R U . . .
C32 C 0.696(2) 0.9360(10) 0.6638(8) 0.033(5) Uani 1 1 d . . . . .
H32 H 0.719991 0.974987 0.673275 0.040 Uiso 1 1 calc R U . . .
C33 C 0.5951(18) 0.9259(9) 0.6295(8) 0.028(4) Uani 1 1 d . . . . .
H33 H 0.548731 0.957902 0.614921 0.034 Uiso 1 1 calc R U . . .
C34 C 0.3447(17) 0.7082(8) 0.5398(6) 0.020(4) Uani 1 1 d . . . . .
C35 C 0.4379(16) 0.6795(8) 0.5732(6) 0.018(4) Uani 1 1 d . . . . .
C36 C 0.4415(17) 0.6192(8) 0.5704(7) 0.022(4) Uani 1 1 d . . . . .
H36 H 0.501744 0.598735 0.592087 0.026 Uiso 1 1 calc R U . . .
C37 C 0.3597(17) 0.5872(9) 0.5368(7) 0.025(4) Uani 1 1 d . . . . .
H37 H 0.363684 0.545592 0.536687 0.030 Uiso 1 1 calc R U . . .
C38 C 0.2734(19) 0.6153(9) 0.5038(7) 0.028(5) Uani 1 1 d . . . . .
H38 H 0.219532 0.593026 0.480186 0.034 Uiso 1 1 calc R U . . .
C39 C 0.2643(18) 0.6763(9) 0.5049(7) 0.026(4) Uani 1 1 d . U . . .
H39 H 0.204420 0.695861 0.482174 0.031 Uiso 1 1 calc R U . . .
C40 C 0.6217(15) 0.6227(7) 0.6944(6) 0.016(3) Uani 1 1 d . . . . .
C41 C 0.6948(17) 0.5730(8) 0.7050(8) 0.025(4) Uani 1 1 d . . . . .
H41 H 0.778057 0.572128 0.692830 0.030 Uiso 1 1 calc R U . . .
C42 C 0.645(2) 0.5261(9) 0.7329(8) 0.031(5) Uani 1 1 d . . . . .
H42 H 0.696375 0.493911 0.742904 0.037 Uiso 1 1 calc R U . . .
C43 C 0.5214(19) 0.5245(9) 0.7470(8) 0.027(4) Uani 1 1 d . . . . .
H43 H 0.484449 0.490713 0.763546 0.032 Uiso 1 1 calc R U . . .
C44 C 0.4546(16) 0.5753(8) 0.7356(7) 0.023(4) Uani 1 1 d . . . . .
H44 H 0.370798 0.576157 0.746986 0.028 Uiso 1 1 calc R U . . .
C45 C 0.4637(14) 0.8292(8) 0.8801(7) 0.018(3) Uani 1 1 d . . . . .
C46 C 0.5005(16) 0.8392(10) 0.8244(7) 0.027(4) Uani 1 1 d . . . . .
H46 H 0.494798 0.877570 0.808652 0.033 Uiso 1 1 calc R U . . .
C47 C 0.5456(18) 0.7938(10) 0.7911(8) 0.034(5) Uani 1 1 d . . . . .
H47 H 0.568620 0.800054 0.752145 0.041 Uiso 1 1 calc R U . . .
C48 C 0.5562(15) 0.7393(9) 0.8162(7) 0.024(4) Uani 1 1 d . . . . .
H48 H 0.591312 0.708176 0.794622 0.029 Uiso 1 1 calc R U . . .
C49 C 0.5162(14) 0.7282(8) 0.8734(7) 0.019(4) Uani 1 1 d . . . . .
C50 C 0.4134(15) 0.8719(8) 0.9219(7) 0.018(4) Uani 1 1 d . . . . .
C51 C 0.3814(16) 0.8509(8) 0.9767(7) 0.022(4) Uani 1 1 d . U . . .
C52 C 0.3369(16) 0.8910(9) 1.0148(8) 0.026(4) Uani 1 1 d . . . . .
H52 H 0.314337 0.878180 1.052206 0.031 Uiso 1 1 calc R U . . .
C53 C 0.3231(17) 0.9501(9) 1.0010(8) 0.027(4) Uani 1 1 d . . . . .
H53 H 0.290703 0.976389 1.028869 0.032 Uiso 1 1 calc R U . . .
C54 C 0.3555(16) 0.9710(10) 0.9477(8) 0.030(4) Uani 1 1 d . . . . .
H54 H 0.346946 1.011507 0.938835 0.036 Uiso 1 1 calc R U . . .
C55 C 0.4013(15) 0.9319(8) 0.9068(7) 0.022(4) Uani 1 1 d . . . . .
H55 H 0.423976 0.945220 0.869549 0.026 Uiso 1 1 calc R U . . .
C56 C 0.5207(15) 0.6748(9) 0.9051(7) 0.020(4) Uani 1 1 d . . . . .
C57 C 0.4807(15) 0.6779(8) 0.9647(7) 0.021(4) Uani 1 1 d . U . . .
C58 C 0.4893(16) 0.6252(8) 0.9948(8) 0.022(4) Uani 1 1 d . . . . .
H58 H 0.466687 0.625211 1.034213 0.027 Uiso 1 1 calc R U . . .
C59 C 0.5284(16) 0.5732(9) 0.9710(8) 0.025(4) Uani 1 1 d . . . . .
H59 H 0.530257 0.538690 0.993822 0.030 Uiso 1 1 calc R U . . .
C60 C 0.5653(17) 0.5707(9) 0.9135(8) 0.029(4) Uani 1 1 d . . . . .
H60 H 0.594039 0.535024 0.897303 0.034 Uiso 1 1 calc R U . . .
C61 C 0.5592(17) 0.6217(9) 0.8803(8) 0.029(5) Uani 1 1 d . . . . .
H61 H 0.581215 0.620483 0.840782 0.035 Uiso 1 1 calc R U . . .
C62 C 0.3060(14) 0.6842(8) 1.0936(7) 0.018(4) Uani 1 1 d . U . . .
C63 C 0.3290(16) 0.6576(8) 1.1470(7) 0.020(4) Uani 1 1 d . . . . .
H63 H 0.371290 0.678364 1.176367 0.024 Uiso 1 1 calc R U . . .
C64 C 0.2894(16) 0.6007(9) 1.1563(8) 0.026(4) Uani 1 1 d . . . . .
H64 H 0.307038 0.581865 1.191772 0.032 Uiso 1 1 calc R U . . .
C65 C 0.2242(16) 0.5711(8) 1.1143(7) 0.023(4) Uani 1 1 d . U . . .
H65 H 0.196845 0.531964 1.119903 0.027 Uiso 1 1 calc R U . . .
C66 C 0.2004(16) 0.6011(9) 1.0635(7) 0.024(4) Uani 1 1 d . . . . .
H66 H 0.154834 0.581455 1.034497 0.029 Uiso 1 1 calc R U . . .


_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 N1 2.007(13) . ?
PT1 C7 2.059(18) . ?
PT1 C13 2.10(2) . ?
PT1 S1 2.284(4) . ?
PT1 TL1 2.8324(9) . ?
PT1 TL2 2.9991(9) . ?
PT2 N3 2.002(14) . ?
PT2 C29 2.067(17) . ?
PT2 C35 2.078(17) . ?
PT2 S2 2.286(5) . ?
PT2 TL2 2.8222(9) . ?
PT3 N5 2.013(12) . ?
PT3 C57 2.070(19) . ?
PT3 C51 2.080(19) . ?
PT3 S3 2.320(4) . ?
PT3 TL3 2.8839(9) 4_467 ?
PT3 TL3 2.9183(9) . ?
TL1 N2 2.642(17) . ?
TL2 N4 2.586(15) . ?
TL3 N6 2.673(14) 4_567 ?
TL3 PT3 2.8839(9) 4_567 ?
S1 C18 1.76(2) . ?
S2 C40 1.760(18) . ?
S3 C62 1.75(2) . ?
N1 C1 1.36(2) . ?
N1 C5 1.38(2) . ?
N2 C18 1.33(2) . ?
N2 C22 1.37(2) . ?
N3 C23 1.34(2) . ?
N3 C27 1.39(2) . ?
N4 C40 1.35(2) . ?
N4 C44 1.36(2) . ?
N5 C45 1.33(2) . ?
N5 C49 1.34(2) . ?
N6 C66 1.32(2) . ?
N6 C62 1.37(2) . ?
N6 TL3 2.673(14) 4_467 ?
C1 C2 1.39(2) . ?
C1 C6 1.46(2) . ?
C2 C3 1.38(3) . ?
C3 C4 1.40(3) . ?
C4 C5 1.37(2) . ?
C5 C12 1.46(3) . ?
C6 C11 1.39(3) . ?
C6 C7 1.45(2) . ?
C7 C8 1.38(2) . ?
C8 C9 1.39(3) . ?
C9 C10 1.38(3) . ?
C10 C11 1.39(3) . ?
C12 C17 1.39(3) . ?
C12 C13 1.43(2) . ?
C13 C14 1.40(3) . ?
C14 C15 1.39(3) . ?
C15 C16 1.38(3) . ?
C16 C17 1.39(3) . ?
C18 C19 1.40(2) . ?
C19 C20 1.36(3) . ?
C20 C21 1.37(3) . ?
C21 C22 1.36(3) . ?
C23 C24 1.40(3) . ?
C23 C28 1.50(3) . ?
C24 C25 1.36(3) . ?
C25 C26 1.35(3) . ?
C26 C27 1.41(2) . ?
C27 C34 1.44(2) . ?
C28 C33 1.40(3) . ?
C28 C29 1.42(2) . ?
C29 C30 1.38(2) . ?
C30 C31 1.37(3) . ?
C31 C32 1.37(3) . ?
C32 C33 1.38(3) . ?
C34 C39 1.40(2) . ?
C34 C35 1.44(2) . ?
C35 C36 1.38(2) . ?
C36 C37 1.39(2) . ?
C37 C38 1.37(3) . ?
C38 C39 1.39(3) . ?
C40 C41 1.41(2) . ?
C41 C42 1.36(3) . ?
C42 C43 1.39(3) . ?
C43 C44 1.39(3) . ?
C45 C46 1.38(2) . ?
C45 C50 1.48(2) . ?
C46 C47 1.38(3) . ?
C47 C48 1.38(3) . ?
C48 C49 1.42(2) . ?
C49 C56 1.42(3) . ?
C50 C51 1.40(2) . ?
C50 C55 1.42(2) . ?
C51 C52 1.36(2) . ?
C52 C53 1.39(3) . ?
C53 C54 1.37(2) . ?
C54 C55 1.40(3) . ?
C56 C61 1.40(3) . ?
C56 C57 1.45(2) . ?
C57 C58 1.39(3) . ?
C58 C59 1.38(2) . ?
C59 C60 1.40(3) . ?
C60 C61 1.40(3) . ?
C62 C63 1.40(2) . ?
C63 C64 1.38(3) . ?
C64 C65 1.38(2) . ?
C65 C66 1.39(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
N1 PT1 C7 81.2(6) . . ?
N1 PT1 C13 80.5(6) . . ?
C7 PT1 C13 161.7(7) . . ?
N1 PT1 S1 171.0(4) . . ?
C7 PT1 S1 94.2(5) . . ?
C13 PT1 S1 104.1(5) . . ?
N1 PT1 TL1 98.5(4) . . ?
C7 PT1 TL1 102.3(5) . . ?
C13 PT1 TL1 79.3(5) . . ?
S1 PT1 TL1 90.03(12) . . ?
N1 PT1 TL2 86.9(4) . . ?
C7 PT1 TL2 98.9(5) . . ?
C13 PT1 TL2 81.2(5) . . ?
S1 PT1 TL2 86.18(12) . . ?
TL1 PT1 TL2 158.64(3) . . ?
N3 PT2 C29 80.6(6) . . ?
N3 PT2 C35 81.5(6) . . ?
C29 PT2 C35 161.8(7) . . ?
N3 PT2 S2 173.6(4) . . ?
C29 PT2 S2 94.6(5) . . ?
C35 PT2 S2 102.9(5) . . ?
N3 PT2 TL2 93.7(4) . . ?
C29 PT2 TL2 105.8(4) . . ?
C35 PT2 TL2 78.9(4) . . ?
S2 PT2 TL2 91.70(11) . . ?
N5 PT3 C57 81.3(6) . . ?
N5 PT3 C51 80.6(6) . . ?
C57 PT3 C51 161.9(7) . . ?
N5 PT3 S3 175.1(5) . . ?
C57 PT3 S3 103.5(5) . . ?
C51 PT3 S3 94.6(5) . . ?
N5 PT3 TL3 101.9(4) . 4_467 ?
C57 PT3 TL3 91.2(5) . 4_467 ?
C51 PT3 TL3 93.3(5) . 4_467 ?
S3 PT3 TL3 79.49(11) . 4_467 ?
N5 PT3 TL3 94.4(4) . . ?
C57 PT3 TL3 82.5(5) . . ?
C51 PT3 TL3 98.1(5) . . ?
S3 PT3 TL3 85.06(11) . . ?
TL3 PT3 TL3 161.48(3) 4_467 . ?
N2 TL1 PT1 80.8(3) . . ?
N4 TL2 PT2 80.3(3) . . ?
N4 TL2 PT1 120.1(3) . . ?
PT2 TL2 PT1 155.90(3) . . ?
N6 TL3 PT3 79.1(3) 4_567 4_567 ?
N6 TL3 PT3 91.8(3) 4_567 . ?
PT3 TL3 PT3 144.30(3) 4_567 . ?
C18 S1 PT1 114.6(6) . . ?
C40 S2 PT2 111.9(6) . . ?
C62 S3 PT3 110.2(6) . . ?
C1 N1 C5 124.8(14) . . ?
C1 N1 PT1 117.1(11) . . ?
C5 N1 PT1 117.5(12) . . ?
C18 N2 C22 117.6(18) . . ?
C18 N2 TL1 119.7(13) . . ?
C22 N2 TL1 121.3(13) . . ?
C23 N3 C27 123.9(16) . . ?
C23 N3 PT2 119.5(13) . . ?
C27 N3 PT2 116.6(12) . . ?
C40 N4 C44 117.7(16) . . ?
C40 N4 TL2 122.1(12) . . ?
C44 N4 TL2 119.8(11) . . ?
C45 N5 C49 125.4(14) . . ?
C45 N5 PT3 118.3(11) . . ?
C49 N5 PT3 116.2(12) . . ?
C66 N6 C62 119.6(15) . . ?
C66 N6 TL3 128.7(12) . 4_467 ?
C62 N6 TL3 111.0(12) . 4_467 ?
N1 C1 C2 118.3(16) . . ?
N1 C1 C6 114.1(15) . . ?
C2 C1 C6 127.6(19) . . ?
C3 C2 C1 119(2) . . ?
C2 C3 C4 120.3(19) . . ?
C5 C4 C3 121.7(18) . . ?
C4 C5 N1 115.8(17) . . ?
C4 C5 C12 130.0(16) . . ?
N1 C5 C12 114.1(14) . . ?
C11 C6 C7 121.5(16) . . ?
C11 C6 C1 122.8(17) . . ?
C7 C6 C1 115.7(17) . . ?
C8 C7 C6 116.4(17) . . ?
C8 C7 PT1 132.3(14) . . ?
C6 C7 PT1 111.3(12) . . ?
C7 C8 C9 121.7(18) . . ?
C10 C9 C8 121.3(18) . . ?
C9 C10 C11 119.4(18) . . ?
C6 C11 C10 119.6(17) . . ?
C17 C12 C13 121(2) . . ?
C17 C12 C5 122.2(18) . . ?
C13 C12 C5 116.3(17) . . ?
C14 C13 C12 116.7(18) . . ?
C14 C13 PT1 131.7(13) . . ?
C12 C13 PT1 111.5(14) . . ?
C15 C14 C13 120.9(18) . . ?
C16 C15 C14 121.6(19) . . ?
C15 C16 C17 119.2(19) . . ?
C16 C17 C12 120(2) . . ?
N2 C18 C19 122.0(19) . . ?
N2 C18 S1 120.7(15) . . ?
C19 C18 S1 117.1(15) . . ?
C20 C19 C18 118.6(19) . . ?
C19 C20 C21 120(2) . . ?
C22 C21 C20 118(2) . . ?
C21 C22 N2 123(2) . . ?
N3 C23 C24 119.1(19) . . ?
N3 C23 C28 111.7(16) . . ?
C24 C23 C28 129.0(18) . . ?
C25 C24 C23 119(2) . . ?
C26 C25 C24 121(2) . . ?
C25 C26 C27 122.5(19) . . ?
N3 C27 C26 114.8(17) . . ?
N3 C27 C34 114.1(16) . . ?
C26 C27 C34 131.2(18) . . ?
C33 C28 C29 121.2(17) . . ?
C33 C28 C23 122.2(18) . . ?
C29 C28 C23 116.6(16) . . ?
C30 C29 C28 116.5(17) . . ?
C30 C29 PT2 132.3(15) . . ?
C28 C29 PT2 111.2(12) . . ?
C31 C30 C29 122(2) . . ?
C32 C31 C30 122(2) . . ?
C31 C32 C33 119(2) . . ?
C32 C33 C28 119.7(19) . . ?
C39 C34 C35 121.4(18) . . ?
C39 C34 C27 121.0(18) . . ?
C35 C34 C27 117.2(17) . . ?
C36 C35 C34 116.6(16) . . ?
C36 C35 PT2 132.8(14) . . ?
C34 C35 PT2 110.6(12) . . ?
C35 C36 C37 122.1(18) . . ?
C38 C37 C36 120.6(19) . . ?
C37 C38 C39 120.2(18) . . ?
C38 C39 C34 119.0(19) . . ?
N4 C40 C41 121.0(16) . . ?
N4 C40 S2 120.3(13) . . ?
C41 C40 S2 118.7(13) . . ?
C42 C41 C40 119.4(17) . . ?
C41 C42 C43 121.2(18) . . ?
C42 C43 C44 116.2(17) . . ?
N4 C44 C43 124.3(16) . . ?
N5 C45 C46 119.1(17) . . ?
N5 C45 C50 112.8(14) . . ?
C46 C45 C50 128.1(17) . . ?
C45 C46 C47 120(2) . . ?
C48 C47 C46 117.8(18) . . ?
C47 C48 C49 122.2(18) . . ?
N5 C49 C56 116.2(15) . . ?
N5 C49 C48 114.9(16) . . ?
C56 C49 C48 128.8(17) . . ?
C51 C50 C55 121.9(17) . . ?
C51 C50 C45 117.6(16) . . ?
C55 C50 C45 120.4(15) . . ?
C52 C51 C50 116.8(17) . . ?
C52 C51 PT3 132.6(14) . . ?
C50 C51 PT3 110.5(13) . . ?
C51 C52 C53 122.5(18) . . ?
C54 C53 C52 121.0(19) . . ?
C53 C54 C55 119(2) . . ?
C54 C55 C50 118.7(17) . . ?
C61 C56 C49 122.2(16) . . ?
C61 C56 C57 121.5(18) . . ?
C49 C56 C57 116.3(16) . . ?
C58 C57 C56 114.6(17) . . ?
C58 C57 PT3 135.3(14) . . ?
C56 C57 PT3 110.0(13) . . ?
C59 C58 C57 124.2(18) . . ?
C58 C59 C60 120.6(18) . . ?
C61 C60 C59 118.8(19) . . ?
C60 C61 C56 120.2(18) . . ?
N6 C62 C63 119.6(17) . . ?
N6 C62 S3 119.5(13) . . ?
C63 C62 S3 120.9(13) . . ?
C64 C63 C62 119.1(16) . . ?
C63 C64 C65 120.4(18) . . ?
C64 C65 C66 117.2(19) . . ?
N6 C66 C65 123.9(17) . . ?

_refine_diff_density_max         2.613
_refine_diff_density_min         -3.057
_refine_diff_density_rms         0.350

####################################################################### 
# 
# 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_8_amt911
_database_code_depnum_ccdc_archive 'CCDC 1858218'
_audit_update_record             
;
2019-02-05 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H11 N2 Pt Tl, C3 H7 N O'
_chemical_formula_sum            'C21 H18 N3 O Pt Tl'
_chemical_formula_weight         727.84

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tl Tl -2.8358 9.6688 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   5.94053(7)
_cell_length_b                   15.5744(3)
_cell_length_c                   22.0135(4)
_cell_angle_alpha                70.3429(18)
_cell_angle_beta                 88.3015(12)
_cell_angle_gamma                79.2532(13)
_cell_volume                     1883.16(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    18124
_cell_measurement_theta_min      4.5480
_cell_measurement_theta_max      29.1350

_exptl_crystal_description       irregular
_exptl_crystal_colour            'translucent pale orange'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.567
_exptl_crystal_F_000             1328
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1400
_exptl_crystal_size_mid          0.0900
_exptl_crystal_size_min          0.0500
_exptl_absorpt_coefficient_mu    15.982
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.38635
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
'Mon Jun 08 10:37:57 2015'
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_reflns_number            40943
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         4.493
_diffrn_reflns_theta_max         29.235
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.889
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.889
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             9120
_reflns_number_gt                7738
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       
;
'Mon Jun 08 10:37:57 2015'
;
_computing_cell_refinement       
;
'Mon Jun 08 10:37:57 2015'
;
_computing_data_reduction        
;
'Mon Jun 08 10:37:57 2015'
;
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0234P)²+7.5034P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9120
_refine_ls_number_parameters     509
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0279
_refine_ls_wR_factor_ref         0.0596
_refine_ls_wR_factor_gt          0.0561
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1A Pt 0.30194(3) 0.61943(2) 0.86841(2) 0.01940(5) Uani 1 1 d . . . . .
Tl1A Tl 0.07029(3) 0.62508(2) 0.98645(2) 0.02035(5) Uani 1 1 d . . . . .
N1A N 0.0186(7) 0.6639(4) 0.8103(2) 0.0223(10) Uani 1 1 d . . . . .
N2A N 0.7442(7) 0.5520(3) 0.9552(2) 0.0220(10) Uani 1 1 d . . . . .
C1A C 0.2373(9) 0.4927(4) 0.8705(3) 0.0226(12) Uani 1 1 d . . . . .
C2A C 0.3519(9) 0.4020(4) 0.9004(3) 0.0244(12) Uani 1 1 d . . . . .
H2AA H 0.4891 0.3917 0.9251 0.029 Uiso 1 1 calc R U . . .
C3A C 0.2723(10) 0.3262(5) 0.8955(3) 0.0316(14) Uani 1 1 d . . . . .
H3AA H 0.3567 0.2653 0.9160 0.038 Uiso 1 1 calc R U . . .
C4A C 0.0704(10) 0.3386(5) 0.8608(3) 0.0317(14) Uani 1 1 d . . . . .
H4AA H 0.0146 0.2866 0.8582 0.038 Uiso 1 1 calc R U . . .
C5A C -0.0483(10) 0.4275(5) 0.8303(3) 0.0306(14) Uani 1 1 d . . . . .
H5AA H -0.1869 0.4365 0.8066 0.037 Uiso 1 1 calc R U . . .
C6A C 0.0318(9) 0.5034(5) 0.8337(3) 0.0259(13) Uani 1 1 d . . . . .
C7A C -0.0847(9) 0.5993(5) 0.7998(3) 0.0285(14) Uani 1 1 d . . . . .
C8A C -0.2811(9) 0.6299(5) 0.7597(3) 0.0319(15) Uani 1 1 d . . . . .
H8AA H -0.3592 0.5868 0.7515 0.038 Uiso 1 1 calc R U . . .
C9A C -0.3606(10) 0.7245(5) 0.7320(3) 0.0365(17) Uani 1 1 d . . . . .
H9AA H -0.4937 0.7459 0.7043 0.044 Uiso 1 1 calc R U . . .
C10A C -0.2521(10) 0.7876(5) 0.7437(3) 0.0351(15) Uani 1 1 d . . . . .
H10A H -0.3098 0.8522 0.7246 0.042 Uiso 1 1 calc R U . . .
C11A C -0.0550(9) 0.7561(5) 0.7840(3) 0.0283(13) Uani 1 1 d . . . . .
C12A C 0.0888(10) 0.8120(5) 0.8029(3) 0.0291(13) Uani 1 1 d . . . . .
C13A C 0.2775(8) 0.7608(4) 0.8455(2) 0.0216(11) Uani 1 1 d . . . . .
C14A C 0.4159(10) 0.8137(4) 0.8628(3) 0.0266(12) Uani 1 1 d . . . . .
H14A H 0.5435 0.7826 0.8919 0.032 Uiso 1 1 calc R U . . .
C15A C 0.3711(11) 0.9095(5) 0.8386(3) 0.0337(14) Uani 1 1 d . . . . .
H15A H 0.4686 0.9428 0.8514 0.040 Uiso 1 1 calc R U . . .
C16A C 0.1883(11) 0.9577(5) 0.7965(3) 0.0363(15) Uani 1 1 d . . . . .
H16A H 0.1620 1.0236 0.7796 0.044 Uiso 1 1 calc R U . . .
C17A C 0.0422(10) 0.9092(5) 0.7788(3) 0.0338(15) Uani 1 1 d . . . . .
H17A H -0.0874 0.9416 0.7508 0.041 Uiso 1 1 calc R U . . .
C18A C 0.5790(8) 0.5774(4) 0.9228(3) 0.0196(11) Uani 1 1 d . . . . .
Pt1B Pt -0.24838(3) 0.66187(2) 0.53938(2) 0.01686(5) Uani 1 1 d . . . . .
Tl1B Tl -0.41549(3) 0.61053(2) 0.43536(2) 0.02352(6) Uani 1 1 d . . . . .
N1B N -0.5504(7) 0.7247(3) 0.5619(2) 0.0196(9) Uani 1 1 d . . . . .
N2B N 0.2213(8) 0.5678(4) 0.5056(2) 0.0265(11) Uani 1 1 d . . . . .
C1B C -0.3318(8) 0.5515(4) 0.6147(2) 0.0177(10) Uani 1 1 d . . . . .
C2B C -0.2159(8) 0.4615(4) 0.6445(2) 0.0191(11) Uani 1 1 d . . . . .
H2B H -0.0699 0.4418 0.6297 0.023 Uiso 1 1 calc R U . . .
C3B C -0.3096(9) 0.3987(4) 0.6959(3) 0.0238(12) Uani 1 1 d . . . . .
H3B H -0.2260 0.3375 0.7159 0.029 Uiso 1 1 calc R U . . .
C4B C -0.5231(9) 0.4255(4) 0.7178(3) 0.0233(12) Uani 1 1 d . . . . .
H4B H -0.5865 0.3824 0.7522 0.028 Uiso 1 1 calc R U . . .
C5B C -0.6430(9) 0.5137(4) 0.6899(3) 0.0228(12) Uani 1 1 d . . . . .
H5B H -0.7897 0.5320 0.7048 0.027 Uiso 1 1 calc R U . . .
C6B C -0.5489(8) 0.5773(4) 0.6391(2) 0.0185(11) Uani 1 1 d . . . . .
C7B C -0.6648(8) 0.6735(4) 0.6106(3) 0.0203(11) Uani 1 1 d . . . . .
C8B C -0.8714(9) 0.7183(4) 0.6272(3) 0.0260(12) Uani 1 1 d . . . . .
H8B H -0.9583 0.6842 0.6604 0.031 Uiso 1 1 calc R U . . .
C9B C -0.9494(10) 0.8111(5) 0.5958(3) 0.0350(15) Uani 1 1 d . . . . .
H9B H -1.0888 0.8413 0.6078 0.042 Uiso 1 1 calc R U . . .
C10B C -0.8254(10) 0.8610(4) 0.5465(3) 0.0341(15) Uani 1 1 d . . . . .
H10B H -0.8792 0.9253 0.5249 0.041 Uiso 1 1 calc R U . . .
C11B C -0.6216(10) 0.8163(4) 0.5289(3) 0.0272(13) Uani 1 1 d . . . . .
C12B C -0.4647(11) 0.8558(4) 0.4786(3) 0.0276(13) Uani 1 1 d . . . . .
C13B C -0.2633(10) 0.7941(4) 0.4730(3) 0.0243(12) Uani 1 1 d . . . . .
C14B C -0.1120(12) 0.8313(5) 0.4268(3) 0.0337(15) Uani 1 1 d . . . . .
H14B H 0.0249 0.7923 0.4214 0.040 Uiso 1 1 calc R U . . .
C15B C -0.1558(14) 0.9241(5) 0.3882(3) 0.0445(19) Uani 1 1 d . . . . .
H15B H -0.0483 0.9475 0.3571 0.053 Uiso 1 1 calc R U . . .
C16B C -0.3535(14) 0.9831(5) 0.3942(3) 0.0439(19) Uani 1 1 d . . . . .
H16B H -0.3819 1.0464 0.3674 0.053 Uiso 1 1 calc R U . . .
C17B C -0.5095(13) 0.9492(5) 0.4398(3) 0.0397(16) Uani 1 1 d . . . . .
H17B H -0.6456 0.9890 0.4446 0.048 Uiso 1 1 calc R U . . .
C18B C 0.0477(9) 0.6027(4) 0.5187(3) 0.0199(11) Uani 1 1 d . . . . .
N3 N 0.5342(8) 0.8261(3) 0.2552(2) 0.0238(10) Uani 1 1 d . . . . .
C19 C 0.4113(11) 0.8498(5) 0.3030(3) 0.0331(14) Uani 1 1 d . . . . .
H19A H 0.5056 0.8766 0.3250 0.050 Uiso 0.5 1 calc R U P A 1
H19B H 0.3678 0.7943 0.3343 0.050 Uiso 0.5 1 calc R U P A 1
H19C H 0.2728 0.8954 0.2839 0.050 Uiso 0.5 1 calc R U P A 1
H19D H 0.5000 0.8419 0.3404 0.040 Uiso 0.5 1 calc R U P B 2
C20 C 0.4288(11) 0.8364(5) 0.1972(3) 0.0335(14) Uani 1 1 d . . . . .
H20A H 0.4374 0.7753 0.1929 0.050 Uiso 0.5 1 calc R U P C 2
H20B H 0.5067 0.8750 0.1614 0.050 Uiso 0.5 1 calc R U P C 2
H20C H 0.2678 0.8662 0.1963 0.050 Uiso 0.5 1 calc R U P C 2
H20D H 0.5283 0.8227 0.1658 0.040 Uiso 0.5 1 calc R U P D 1
C21 C 0.7768(9) 0.7836(4) 0.2679(3) 0.0324(14) Uani 1 1 d . . . . .
H21A H 0.8564 0.7964 0.2271 0.049 Uiso 1 1 calc R U . . .
H21B H 0.7919 0.7164 0.2890 0.049 Uiso 1 1 calc R U . . .
H21C H 0.8448 0.8096 0.2962 0.049 Uiso 1 1 calc R U . . .
O1' O 0.2372(14) 0.8593(8) 0.1819(5) 0.040(2) Uani 0.5 1 d . . P E 1
O1 O 0.2241(14) 0.8768(7) 0.3052(4) 0.037(2) Uani 0.5 1 d . . P F 2
N4 N -0.0356(8) 0.8873(3) 0.0097(2) 0.0278(11) Uani 1 1 d . . . . .
C22 C -0.1649(12) 0.9087(5) 0.0550(3) 0.0382(15) Uani 1 1 d . . . . .
H22A H -0.0967 0.8899 0.0971 0.046 Uiso 0.5 1 calc R U P G 1
H22B H -0.3089 0.9486 0.0409 0.046 Uiso 0.5 1 calc R U P H 2
C23 C -0.1327(11) 0.9061(6) -0.0544(3) 0.0454(18) Uani 1 1 d . . . . .
H23A H -0.0892 0.8508 -0.0671 0.068 Uiso 1 1 calc R U . . .
H23B H -0.0740 0.9580 -0.0853 0.068 Uiso 1 1 calc R U . . .
H23C H -0.3001 0.9220 -0.0539 0.068 Uiso 1 1 calc R U . . .
C24 C 0.2063(9) 0.8475(5) 0.0225(3) 0.0312(14) Uani 1 1 d . . . . .
H24A H 0.2965 0.8875 -0.0087 0.047 Uiso 1 1 calc R U . . .
H24B H 0.2363 0.7857 0.0185 0.047 Uiso 1 1 calc R U . . .
H24C H 0.2497 0.8426 0.0663 0.047 Uiso 1 1 calc R U . . .
O2' O -0.3525(13) 0.9482(6) 0.0476(4) 0.0309(19) Uani 0.5 1 d . . P I 1
O2 O -0.1176(16) 0.8825(7) 0.1123(4) 0.043(2) Uani 0.5 1 d . . P I 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1A C18A 1.939(5) . ?
Pt1A N1A 2.012(4) . ?
Pt1A C13A 2.064(6) . ?
Pt1A C1A 2.066(6) . ?
Pt1A Tl1A 2.9241(3) . ?
Tl1A N2A 2.636(4) 1_455 ?
Tl1A N2A 2.653(5) 2_667 ?
N1A C11A 1.345(8) . ?
N1A C7A 1.355(8) . ?
N2A C18A 1.156(7) . ?
N2A Tl1A 2.636(4) 1_655 ?
N2A Tl1A 2.653(5) 2_667 ?
C1A C2A 1.391(8) . ?
C1A C6A 1.437(7) . ?
C2A C3A 1.389(8) . ?
C3A C4A 1.387(8) . ?
C4A C5A 1.380(9) . ?
C5A C6A 1.379(9) . ?
C6A C7A 1.471(9) . ?
C7A C8A 1.392(8) . ?
C8A C9A 1.384(10) . ?
C9A C10A 1.365(10) . ?
C10A C11A 1.398(8) . ?
C11A C12A 1.483(9) . ?
C12A C17A 1.400(9) . ?
C12A C13A 1.414(8) . ?
C13A C14A 1.409(8) . ?
C14A C15A 1.381(9) . ?
C15A C16A 1.375(9) . ?
C16A C17A 1.393(9) . ?
Pt1B C18B 1.944(5) . ?
Pt1B N1B 2.010(4) . ?
Pt1B C13B 2.073(6) . ?
Pt1B C1B 2.074(5) . ?
Pt1B Tl1B 2.9207(3) . ?
Tl1B N2B 2.671(4) 1_455 ?
Tl1B N2B 2.683(5) 2_566 ?
N1B C7B 1.353(7) . ?
N1B C11B 1.356(7) . ?
N2B C18B 1.150(7) . ?
N2B Tl1B 2.671(4) 1_655 ?
N2B Tl1B 2.683(5) 2_566 ?
C1B C2B 1.385(8) . ?
C1B C6B 1.422(7) . ?
C2B C3B 1.403(7) . ?
C3B C4B 1.384(8) . ?
C4B C5B 1.366(8) . ?
C5B C6B 1.403(7) . ?
C6B C7B 1.456(8) . ?
C7B C8B 1.397(7) . ?
C8B C9B 1.371(9) . ?
C9B C10B 1.386(10) . ?
C10B C11B 1.393(9) . ?
C11B C12B 1.472(9) . ?
C12B C17B 1.396(9) . ?
C12B C13B 1.419(9) . ?
C13B C14B 1.386(8) . ?
C14B C15B 1.388(9) . ?
C15B C16B 1.383(11) . ?
C16B C17B 1.383(10) . ?
N3 C19 1.376(7) . ?
N3 C20 1.385(7) . ?
N3 C21 1.462(7) . ?
C19 O1 1.119(10) . ?
C20 O1' 1.152(10) . ?
N4 C22 1.333(8) . ?
N4 C24 1.450(7) . ?
N4 C23 1.455(8) . ?
C22 O2' 1.155(10) . ?
C22 O2 1.212(11) . ?

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
C18A Pt1A N1A 178.8(2) . . ?
C18A Pt1A C13A 98.9(2) . . ?
N1A Pt1A C13A 80.7(2) . . ?
C18A Pt1A C1A 99.5(2) . . ?
N1A Pt1A C1A 80.8(2) . . ?
C13A Pt1A C1A 161.5(2) . . ?
C18A Pt1A Tl1A 84.67(15) . . ?
N1A Pt1A Tl1A 96.48(12) . . ?
C13A Pt1A Tl1A 85.89(14) . . ?
C1A Pt1A Tl1A 97.45(14) . . ?
N2A Tl1A N2A 82.33(14) 1_455 2_667 ?
N2A Tl1A Pt1A 89.29(10) 1_455 . ?
N2A Tl1A Pt1A 89.72(10) 2_667 . ?
C11A N1A C7A 124.3(5) . . ?
C11A N1A Pt1A 117.6(4) . . ?
C7A N1A Pt1A 118.0(4) . . ?
C18A N2A Tl1A 137.6(4) . 1_655 ?
C18A N2A Tl1A 124.4(4) . 2_667 ?
Tl1A N2A Tl1A 97.67(14) 1_655 2_667 ?
C2A C1A C6A 116.0(5) . . ?
C2A C1A Pt1A 132.5(4) . . ?
C6A C1A Pt1A 111.5(4) . . ?
C3A C2A C1A 122.1(5) . . ?
C4A C3A C2A 120.6(6) . . ?
C5A C4A C3A 119.1(6) . . ?
C6A C5A C4A 120.8(5) . . ?
C5A C6A C1A 121.4(6) . . ?
C5A C6A C7A 122.5(5) . . ?
C1A C6A C7A 116.1(5) . . ?
N1A C7A C8A 118.2(6) . . ?
N1A C7A C6A 113.5(5) . . ?
C8A C7A C6A 128.4(6) . . ?
C9A C8A C7A 118.7(6) . . ?
C10A C9A C8A 121.5(6) . . ?
C9A C10A C11A 119.3(7) . . ?
N1A C11A C10A 118.0(6) . . ?
N1A C11A C12A 113.8(5) . . ?
C10A C11A C12A 128.2(6) . . ?
C17A C12A C13A 122.4(6) . . ?
C17A C12A C11A 121.9(5) . . ?
C13A C12A C11A 115.6(6) . . ?
C14A C13A C12A 115.8(6) . . ?
C14A C13A Pt1A 132.0(4) . . ?
C12A C13A Pt1A 112.2(4) . . ?
C15A C14A C13A 121.8(6) . . ?
C16A C15A C14A 121.4(6) . . ?
C15A C16A C17A 119.4(6) . . ?
C16A C17A C12A 119.2(6) . . ?
N2A C18A Pt1A 179.7(5) . . ?
C18B Pt1B N1B 178.54(19) . . ?
C18B Pt1B C13B 99.1(2) . . ?
N1B Pt1B C13B 80.6(2) . . ?
C18B Pt1B C1B 99.7(2) . . ?
N1B Pt1B C1B 80.6(2) . . ?
C13B Pt1B C1B 161.2(2) . . ?
C18B Pt1B Tl1B 83.27(15) . . ?
N1B Pt1B Tl1B 98.12(12) . . ?
C13B Pt1B Tl1B 87.36(15) . . ?
C1B Pt1B Tl1B 96.39(14) . . ?
N2B Tl1B N2B 85.37(15) 1_455 2_566 ?
N2B Tl1B Pt1B 88.37(10) 1_455 . ?
N2B Tl1B Pt1B 90.83(10) 2_566 . ?
C7B N1B C11B 124.4(5) . . ?
C7B N1B Pt1B 117.7(4) . . ?
C11B N1B Pt1B 117.8(4) . . ?
C18B N2B Tl1B 140.6(4) . 1_655 ?
C18B N2B Tl1B 124.2(4) . 2_566 ?
Tl1B N2B Tl1B 94.63(15) 1_655 2_566 ?
C2B C1B C6B 116.8(5) . . ?
C2B C1B Pt1B 132.2(4) . . ?
C6B C1B Pt1B 111.0(4) . . ?
C1B C2B C3B 121.4(5) . . ?
C4B C3B C2B 120.3(5) . . ?
C5B C4B C3B 120.2(5) . . ?
C4B C5B C6B 119.8(5) . . ?
C5B C6B C1B 121.4(5) . . ?
C5B C6B C7B 121.5(5) . . ?
C1B C6B C7B 117.0(5) . . ?
N1B C7B C8B 117.4(5) . . ?
N1B C7B C6B 113.5(4) . . ?
C8B C7B C6B 129.0(5) . . ?
C9B C8B C7B 120.4(6) . . ?
C8B C9B C10B 120.2(6) . . ?
C9B C10B C11B 119.7(6) . . ?
N1B C11B C10B 117.9(6) . . ?
N1B C11B C12B 113.6(5) . . ?
C10B C11B C12B 128.5(6) . . ?
C17B C12B C13B 122.1(6) . . ?
C17B C12B C11B 121.8(6) . . ?
C13B C12B C11B 116.1(5) . . ?
C14B C13B C12B 116.5(5) . . ?
C14B C13B Pt1B 131.6(5) . . ?
C12B C13B Pt1B 111.8(4) . . ?
C13B C14B C15B 121.6(7) . . ?
C16B C15B C14B 121.1(7) . . ?
C15B C16B C17B 119.5(6) . . ?
C16B C17B C12B 119.3(7) . . ?
N2B C18B Pt1B 178.9(5) . . ?
C19 N3 C20 121.1(5) . . ?
C19 N3 C21 118.9(5) . . ?
C20 N3 C21 119.8(5) . . ?
O1 C19 N3 130.7(7) . . ?
O1' C20 N3 128.9(8) . . ?
C22 N4 C24 120.9(5) . . ?
C22 N4 C23 120.6(5) . . ?
C24 N4 C23 118.5(5) . . ?
O2' C22 N4 125.8(8) . . ?
O2 C22 N4 126.7(8) . . ?

_refine_diff_density_max         1.319
_refine_diff_density_min         -1.193
_refine_diff_density_rms         0.190

_shelxl_version_number           2013-4

