# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_20140415NBu4PtptpyCN2_2
_database_code_depnum_ccdc_archive 'CCDC 1061287'
_audit_update_record             
;
2015-04-23 deposited with the CCDC.
2015-07-14 downloaded from the CCDC.
;

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

_chemical_formula_sum            'C32 H48 N5 Pt'
_chemical_formula_moiety         'C32 H48 N5 Pt'
_chemical_formula_weight         697.85
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
_space_group_IT_number           14
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   22.614(8)
_cell_length_b                   8.529(3)
_cell_length_c                   17.808(6)
_cell_angle_alpha                90.0000
_cell_angle_beta                 107.877(5)
_cell_angle_gamma                90.0000
_cell_volume                     3269(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8955
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    200
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.991
_exptl_crystal_size_mid          0.232
_exptl_crystal_size_min          0.223
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1412.00
_exptl_absorpt_coefficient_mu    4.302
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_absorpt_correction_T_min  0.227
_exptl_absorpt_correction_T_max  0.383

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

_diffrn_ambient_temperature      200
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.314
_diffrn_reflns_number            21244
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_theta_max         27.503
_diffrn_reflns_theta_min         2.839
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measured_fraction_theta_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       22
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

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

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             7163
_reflns_number_gt                5938
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0365
_refine_ls_wR_factor_ref         0.0961
_refine_ls_wR_factor_gt          0.0900
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_reflns         15650
_refine_ls_number_parameters     343
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0445P)²+1.4818P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         2.38
_refine_diff_density_min         -1.23
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.19139(2) 0.33105(2) 0.30926(2) 0.03402(7) Uani 1 4 d . . .
N1 N 0.11898(18) 0.2265(4) 0.3384(2) 0.0392(9) Uani 1 4 d . . .
N2 N 0.3056(2) 0.4885(5) 0.2809(3) 0.0554(12) Uani 1 4 d . . .
N3 N 0.1115(2) 0.4409(7) 0.1385(3) 0.0715(15) Uani 1 4 d . . .
N4 N 0.24159(19) -0.0997(4) 0.1628(2) 0.0396(9) Uani 1 4 d . . .
N5 N 0.5214(5) 0.3703(11) 0.2796(6) 0.126(3) Uani 1 4 d . . .
C1 C 0.0604(3) 0.2145(7) 0.2907(3) 0.0549(14) Uani 1 4 d . . .
C2 C 0.0136(3) 0.1457(7) 0.3145(4) 0.0649(17) Uani 1 4 d . . .
C3 C 0.0281(3) 0.0913(8) 0.3907(4) 0.0626(16) Uani 1 4 d . . .
C4 C 0.0873(3) 0.1020(6) 0.4400(3) 0.0509(13) Uani 1 4 d . . .
C5 C 0.1334(2) 0.1696(5) 0.4131(3) 0.0390(11) Uani 1 4 d . . .
C6 C 0.1990(2) 0.1856(4) 0.4588(3) 0.0354(10) Uani 1 4 d . . .
C7 C 0.2232(3) 0.1299(5) 0.5369(3) 0.0421(11) Uani 1 4 d . . .
C8 C 0.2856(3) 0.1443(5) 0.5751(3) 0.0409(11) Uani 1 4 d . . .
C9 C 0.3257(3) 0.2121(5) 0.5385(3) 0.0429(12) Uani 1 4 d . . .
C10 C 0.3006(2) 0.2683(5) 0.4616(3) 0.0384(10) Uani 1 4 d . . .
C11 C 0.2376(2) 0.2580(5) 0.4198(3) 0.0344(10) Uani 1 4 d . . .
C12 C 0.3957(3) 0.2247(7) 0.5810(3) 0.0588(15) Uani 1 4 d . . .
C13 C 0.2636(2) 0.4282(5) 0.2914(3) 0.0402(11) Uani 1 4 d . . .
C14 C 0.1393(3) 0.3982(6) 0.1997(3) 0.0473(12) Uani 1 4 d . . .
C15 C 0.2834(3) 0.0296(5) 0.2103(3) 0.0438(12) Uani 1 4 d . . .
C16 C 0.3371(3) -0.0242(6) 0.2798(3) 0.0531(14) Uani 1 4 d . . .
C17 C 0.3835(3) 0.1064(7) 0.3096(4) 0.0603(15) Uani 1 4 d . . .
C18 C 0.4355(4) 0.0645(8) 0.3821(4) 0.081(2) Uani 1 4 d . . .
C19 C 0.2789(3) -0.2146(5) 0.1293(3) 0.0433(12) Uani 1 4 d . . .
C20 C 0.3166(3) -0.1419(6) 0.0820(4) 0.0515(14) Uani 1 4 d . . .
C21 C 0.3536(3) -0.2665(6) 0.0534(4) 0.0564(15) Uani 1 4 d . . .
C22 C 0.3898(4) -0.1955(8) 0.0026(5) 0.074(2) Uani 1 4 d . . .
C23 C 0.1914(3) -0.0209(5) 0.0977(3) 0.0446(12) Uani 1 4 d . . .
C24 C 0.1391(3) -0.1259(6) 0.0499(3) 0.0510(13) Uani 1 4 d . . .
C25 C 0.0957(3) -0.0354(7) -0.0176(4) 0.0672(17) Uani 1 4 d . . .
C26 C 0.0402(4) -0.1340(9) -0.0640(5) 0.088(2) Uani 1 4 d . . .
C27 C 0.2138(3) -0.1943(5) 0.2160(3) 0.0420(12) Uani 1 4 d . . .
C28 C 0.1712(3) -0.1016(6) 0.2522(4) 0.0537(14) Uani 1 4 d . . .
C29 C 0.1539(3) -0.2027(6) 0.3134(4) 0.0569(15) Uani 1 4 d . . .
C30 C 0.2076(4) -0.2265(9) 0.3864(4) 0.078(2) Uani 1 4 d . . .
C31 C 0.4543(4) 0.5574(13) 0.3308(8) 0.146(4) Uani 1 4 d . . .
C32 C 0.4912(4) 0.4536(12) 0.3018(6) 0.093(3) Uani 1 4 d . . .
H1 H 0.05062 0.25486 0.23859 0.0659 Uiso 1 4 calc . . .
H2 H -0.02742 0.13666 0.27909 0.0778 Uiso 1 4 calc . . .
H3 H -0.0033 0.046 0.409 0.0751 Uiso 1 4 calc . . .
H4 H 0.09727 0.06353 0.49248 0.0611 Uiso 1 4 calc . . .
H7 H 0.19665 0.08289 0.56266 0.0505 Uiso 1 4 calc . . .
H8 H 0.30188 0.10716 0.62773 0.0491 Uiso 1 4 calc . . .
H10 H 0.32765 0.3158 0.43669 0.0461 Uiso 1 4 calc . . .
H12A H 0.41615 0.27533 0.54622 0.0706 Uiso 1 4 calc . . .
H12B H 0.40268 0.28723 0.62916 0.0706 Uiso 1 4 calc . . .
H12C H 0.41312 0.11951 0.59497 0.0706 Uiso 1 4 calc . . .
H15A H 0.30039 0.0899 0.17415 0.0526 Uiso 1 4 calc . . .
H15B H 0.25732 0.10204 0.23006 0.0526 Uiso 1 4 calc . . .
H16A H 0.32106 -0.05923 0.32284 0.0637 Uiso 1 4 calc . . .
H16B H 0.35799 -0.11409 0.26368 0.0637 Uiso 1 4 calc . . .
H17A H 0.40137 0.13606 0.26732 0.0723 Uiso 1 4 calc . . .
H17B H 0.36145 0.19934 0.32113 0.0723 Uiso 1 4 calc . . .
H18A H 0.46364 0.15426 0.3982 0.0971 Uiso 1 4 calc . . .
H18B H 0.41827 0.03795 0.42487 0.0971 Uiso 1 4 calc . . .
H18C H 0.45824 -0.0254 0.371 0.0971 Uiso 1 4 calc . . .
H19A H 0.30728 -0.27351 0.17365 0.0519 Uiso 1 4 calc . . .
H19B H 0.24966 -0.29071 0.09536 0.0519 Uiso 1 4 calc . . .
H20A H 0.34569 -0.06398 0.11485 0.0619 Uiso 1 4 calc . . .
H20B H 0.28861 -0.08632 0.03588 0.0619 Uiso 1 4 calc . . .
H21A H 0.38282 -0.31866 0.0995 0.0677 Uiso 1 4 calc . . .
H21B H 0.32464 -0.34664 0.02242 0.0677 Uiso 1 4 calc . . .
H22A H 0.41279 -0.27829 -0.01471 0.0893 Uiso 1 4 calc . . .
H22B H 0.36093 -0.14513 -0.04388 0.0893 Uiso 1 4 calc . . .
H22C H 0.41909 -0.11716 0.03316 0.0893 Uiso 1 4 calc . . .
H23A H 0.21117 0.0288 0.06116 0.0535 Uiso 1 4 calc . . .
H23B H 0.17314 0.06396 0.12137 0.0535 Uiso 1 4 calc . . .
H24A H 0.15671 -0.21579 0.02879 0.0613 Uiso 1 4 calc . . .
H24B H 0.11574 -0.1672 0.08428 0.0613 Uiso 1 4 calc . . .
H25A H 0.11869 0.00047 -0.05358 0.0807 Uiso 1 4 calc . . .
H25B H 0.08048 0.05864 0.00345 0.0807 Uiso 1 4 calc . . .
H26A H 0.01325 -0.07155 -0.10695 0.1054 Uiso 1 4 calc . . .
H26B H 0.05509 -0.22631 -0.08563 0.1054 Uiso 1 4 calc . . .
H26C H 0.0169 -0.16816 -0.02862 0.1054 Uiso 1 4 calc . . .
H27A H 0.24824 -0.24006 0.25919 0.0504 Uiso 1 4 calc . . .
H27B H 0.18979 -0.28243 0.18502 0.0504 Uiso 1 4 calc . . .
H28A H 0.19292 -0.00569 0.27839 0.0645 Uiso 1 4 calc . . .
H28B H 0.13318 -0.0692 0.2107 0.0645 Uiso 1 4 calc . . .
H29A H 0.11938 -0.15187 0.32764 0.0684 Uiso 1 4 calc . . .
H29B H 0.13887 -0.30596 0.28963 0.0684 Uiso 1 4 calc . . .
H30A H 0.19466 -0.29193 0.42392 0.0936 Uiso 1 4 calc . . .
H30B H 0.24159 -0.27883 0.37279 0.0936 Uiso 1 4 calc . . .
H30C H 0.2221 -0.12479 0.41079 0.0936 Uiso 1 4 calc . . .
H31A H 0.46896 0.55776 0.38812 0.1755 Uiso 1 4 calc . . .
H31B H 0.41087 0.52226 0.31201 0.1755 Uiso 1 4 calc . . .
H31C H 0.45728 0.66305 0.31054 0.1755 Uiso 1 4 calc . . .



#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2013)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

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

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pt1 N1 2.066(4) yes . .
Pt1 C11 2.022(4) yes . .
Pt1 C13 1.943(5) yes . .
Pt1 C14 2.028(5) yes . .
N1 C1 1.341(6) yes . .
N1 C5 1.359(7) yes . .
N2 C13 1.145(8) yes . .
N3 C14 1.137(7) yes . .
N4 C15 1.528(6) yes . .
N4 C19 1.529(7) yes . .
N4 C23 1.510(6) yes . .
N4 C27 1.519(7) yes . .
N5 C32 1.138(15) yes . .
C1 C2 1.385(10) yes . .
C2 C3 1.376(10) yes . .
C3 C4 1.359(8) yes . .
C4 C5 1.398(9) yes . .
C5 C6 1.464(7) yes . .
C6 C7 1.411(7) yes . .
C6 C11 1.414(8) yes . .
C7 C8 1.371(7) yes . .
C8 C9 1.394(9) yes . .
C9 C10 1.397(7) yes . .
C9 C12 1.534(8) yes . .
C10 C11 1.393(6) yes . .
C15 C16 1.514(7) yes . .
C16 C17 1.511(8) yes . .
C17 C18 1.498(9) yes . .
C19 C20 1.505(9) yes . .
C20 C21 1.532(9) yes . .
C21 C22 1.521(12) yes . .
C23 C24 1.518(7) yes . .
C24 C25 1.510(8) yes . .
C25 C26 1.525(10) yes . .
C27 C28 1.533(9) yes . .
C28 C29 1.530(9) yes . .
C29 C30 1.496(9) yes . .
C31 C32 1.418(17) yes . .
C1 H1 0.950(6) no . .
C2 H2 0.950(6) no . .
C3 H3 0.950(7) no . .
C4 H4 0.949(6) no . .
C7 H7 0.950(6) no . .
C8 H8 0.950(5) no . .
C10 H10 0.949(5) no . .
C12 H12A 0.981(7) no . .
C12 H12B 0.980(6) no . .
C12 H12C 0.981(6) no . .
C15 H15A 0.989(6) no . .
C15 H15B 0.991(6) no . .
C16 H16A 0.989(7) no . .
C16 H16B 0.989(6) no . .
C17 H17A 0.990(7) no . .
C17 H17B 0.991(6) no . .
C18 H18A 0.981(7) no . .
C18 H18B 0.983(9) no . .
C18 H18C 0.976(8) no . .
C19 H19A 0.988(5) no . .
C19 H19B 0.989(5) no . .
C20 H20A 0.990(5) no . .
C20 H20B 0.990(5) no . .
C21 H21A 0.987(5) no . .
C21 H21B 0.990(5) no . .
C22 H22A 0.981(8) no . .
C22 H22B 0.981(7) no . .
C22 H22C 0.980(7) no . .
C23 H23A 0.990(6) no . .
C23 H23B 0.990(5) no . .
C24 H24A 0.989(6) no . .
C24 H24B 0.989(7) no . .
C25 H25A 0.990(8) no . .
C25 H25B 0.990(7) no . .
C26 H26A 0.977(7) no . .
C26 H26B 0.981(8) no . .
C26 H26C 0.981(10) no . .
C27 H27A 0.991(5) no . .
C27 H27B 0.990(4) no . .
C28 H28A 0.994(5) no . .
C28 H28B 0.986(5) no . .
C29 H29A 0.992(7) no . .
C29 H29B 0.991(5) no . .
C30 H30A 0.981(8) no . .
C30 H30B 0.982(9) no . .
C30 H30C 0.980(7) no . .
C31 H31A 0.972(13) no . .
C31 H31B 0.981(9) no . .
C31 H31C 0.981(12) no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
N1 Pt1 C11 80.52(17) yes . . .
N1 Pt1 C13 175.06(17) yes . . .
N1 Pt1 C14 95.3(2) yes . . .
C11 Pt1 C13 94.66(19) yes . . .
C11 Pt1 C14 175.8(2) yes . . .
C13 Pt1 C14 89.5(2) yes . . .
Pt1 N1 C1 125.4(4) yes . . .
Pt1 N1 C5 115.5(3) yes . . .
C1 N1 C5 119.1(5) yes . . .
C15 N4 C19 110.9(4) yes . . .
C15 N4 C23 107.2(3) yes . . .
C15 N4 C27 110.0(4) yes . . .
C19 N4 C23 111.1(4) yes . . .
C19 N4 C27 106.7(3) yes . . .
C23 N4 C27 111.0(4) yes . . .
N1 C1 C2 122.6(5) yes . . .
C1 C2 C3 118.0(5) yes . . .
C2 C3 C4 120.3(7) yes . . .
C3 C4 C5 119.7(5) yes . . .
N1 C5 C4 120.2(4) yes . . .
N1 C5 C6 114.0(5) yes . . .
C4 C5 C6 125.7(5) yes . . .
C5 C6 C7 122.5(5) yes . . .
C5 C6 C11 116.2(4) yes . . .
C7 C6 C11 121.3(4) yes . . .
C6 C7 C8 119.2(5) yes . . .
C7 C8 C9 121.5(5) yes . . .
C8 C9 C10 118.3(5) yes . . .
C8 C9 C12 121.2(5) yes . . .
C10 C9 C12 120.4(5) yes . . .
C9 C10 C11 122.9(5) yes . . .
Pt1 C11 C6 113.6(3) yes . . .
Pt1 C11 C10 129.7(4) yes . . .
C6 C11 C10 116.7(4) yes . . .
Pt1 C13 N2 178.6(4) yes . . .
Pt1 C14 N3 177.3(5) yes . . .
N4 C15 C16 116.0(3) yes . . .
C15 C16 C17 111.1(4) yes . . .
C16 C17 C18 113.8(5) yes . . .
N4 C19 C20 115.5(4) yes . . .
C19 C20 C21 111.1(4) yes . . .
C20 C21 C22 111.7(5) yes . . .
N4 C23 C24 116.1(4) yes . . .
C23 C24 C25 110.4(4) yes . . .
C24 C25 C26 112.0(5) yes . . .
N4 C27 C28 115.0(4) yes . . .
C27 C28 C29 109.9(4) yes . . .
C28 C29 C30 112.3(6) yes . . .
N5 C32 C31 179.0(10) yes . . .
N1 C1 H1 118.6(6) no . . .
C2 C1 H1 118.8(5) no . . .
C1 C2 H2 120.9(7) no . . .
C3 C2 H2 121.1(7) no . . .
C2 C3 H3 119.8(6) no . . .
C4 C3 H3 119.8(7) no . . .
C3 C4 H4 120.2(7) no . . .
C5 C4 H4 120.1(5) no . . .
C6 C7 H7 120.4(5) no . . .
C8 C7 H7 120.3(5) no . . .
C7 C8 H8 119.2(6) no . . .
C9 C8 H8 119.3(5) no . . .
C9 C10 H10 118.6(4) no . . .
C11 C10 H10 118.5(4) no . . .
C9 C12 H12A 109.5(5) no . . .
C9 C12 H12B 109.6(6) no . . .
C9 C12 H12C 109.5(5) no . . .
H12A C12 H12B 109.4(6) no . . .
H12A C12 H12C 109.4(7) no . . .
H12B C12 H12C 109.4(5) no . . .
N4 C15 H15A 108.3(4) no . . .
N4 C15 H15B 108.1(5) no . . .
C16 C15 H15A 108.4(5) no . . .
C16 C15 H15B 108.3(5) no . . .
H15A C15 H15B 107.4(4) no . . .
C15 C16 H16A 109.4(5) no . . .
C15 C16 H16B 109.4(5) no . . .
C17 C16 H16A 109.3(5) no . . .
C17 C16 H16B 109.3(6) no . . .
H16A C16 H16B 108.2(5) no . . .
C16 C17 H17A 108.8(5) no . . .
C16 C17 H17B 108.8(6) no . . .
C18 C17 H17A 108.7(6) no . . .
C18 C17 H17B 108.9(6) no . . .
H17A C17 H17B 107.6(5) no . . .
C17 C18 H18A 109.4(6) no . . .
C17 C18 H18B 109.3(7) no . . .
C17 C18 H18C 109.7(6) no . . .
H18A C18 H18B 109.2(7) no . . .
H18A C18 H18C 109.7(8) no . . .
H18B C18 H18C 109.6(7) no . . .
N4 C19 H19A 108.3(5) no . . .
N4 C19 H19B 108.3(5) no . . .
C20 C19 H19A 108.4(5) no . . .
C20 C19 H19B 108.4(5) no . . .
H19A C19 H19B 107.6(4) no . . .
C19 C20 H20A 109.5(6) no . . .
C19 C20 H20B 109.5(6) no . . .
C21 C20 H20A 109.3(6) no . . .
C21 C20 H20B 109.4(5) no . . .
H20A C20 H20B 108.0(4) no . . .
C20 C21 H21A 109.4(5) no . . .
C20 C21 H21B 109.2(6) no . . .
C22 C21 H21A 109.2(6) no . . .
C22 C21 H21B 109.1(6) no . . .
H21A C21 H21B 108.2(5) no . . .
C21 C22 H22A 109.5(6) no . . .
C21 C22 H22B 109.6(7) no . . .
C21 C22 H22C 109.6(7) no . . .
H22A C22 H22B 109.3(8) no . . .
H22A C22 H22C 109.4(8) no . . .
H22B C22 H22C 109.4(6) no . . .
N4 C23 H23A 108.1(5) no . . .
N4 C23 H23B 108.2(4) no . . .
C24 C23 H23A 108.4(5) no . . .
C24 C23 H23B 108.4(5) no . . .
H23A C23 H23B 107.4(4) no . . .
C23 C24 H24A 109.6(5) no . . .
C23 C24 H24B 109.6(5) no . . .
C25 C24 H24A 109.5(5) no . . .
C25 C24 H24B 109.5(6) no . . .
H24A C24 H24B 108.2(5) no . . .
C24 C25 H25A 109.2(6) no . . .
C24 C25 H25B 109.3(6) no . . .
C26 C25 H25A 109.2(6) no . . .
C26 C25 H25B 109.2(6) no . . .
H25A C25 H25B 107.9(6) no . . .
C25 C26 H26A 109.6(7) no . . .
C25 C26 H26B 109.4(8) no . . .
C25 C26 H26C 109.3(7) no . . .
H26A C26 H26B 109.6(8) no . . .
H26A C26 H26C 109.6(9) no . . .
H26B C26 H26C 109.3(7) no . . .
N4 C27 H27A 108.4(5) no . . .
N4 C27 H27B 108.4(5) no . . .
C28 C27 H27A 108.8(5) no . . .
C28 C27 H27B 108.5(5) no . . .
H27A C27 H27B 107.4(4) no . . .
C27 C28 H28A 109.7(6) no . . .
C27 C28 H28B 110.2(5) no . . .
C29 C28 H28A 109.2(5) no . . .
C29 C28 H28B 109.7(6) no . . .
H28A C28 H28B 108.2(5) no . . .
C28 C29 H29A 109.2(5) no . . .
C28 C29 H29B 109.0(6) no . . .
C30 C29 H29A 109.2(6) no . . .
C30 C29 H29B 109.3(5) no . . .
H29A C29 H29B 107.7(6) no . . .
C29 C30 H30A 109.7(7) no . . .
C29 C30 H30B 109.5(7) no . . .
C29 C30 H30C 109.7(6) no . . .
H30A C30 H30B 109.2(7) no . . .
H30A C30 H30C 109.4(7) no . . .
H30B C30 H30C 109.3(8) no . . .
C32 C31 H31A 109.5(9) no . . .
C32 C31 H31B 108.9(10) no . . .
C32 C31 H31C 109.0(12) no . . .
H31A C31 H31B 110.0(13) no . . .
H31A C31 H31C 110.0(11) no . . .
H31B C31 H31C 109.3(10) no . . .

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
N1 Pt1 C11 C6 -2.9(3) no . . . .
N1 Pt1 C11 C10 176.9(4) no . . . .
C11 Pt1 N1 C1 -178.2(3) no . . . .
C11 Pt1 N1 C5 3.3(3) no . . . .
C14 Pt1 N1 C1 2.0(3) no . . . .
C14 Pt1 N1 C5 -176.5(3) no . . . .
C13 Pt1 C11 C6 176.0(3) no . . . .
C13 Pt1 C11 C10 -4.2(4) no . . . .
Pt1 N1 C1 C2 -178.6(3) no . . . .
Pt1 N1 C5 C4 177.5(3) no . . . .
Pt1 N1 C5 C6 -3.0(5) no . . . .
C1 N1 C5 C4 -1.0(6) no . . . .
C1 N1 C5 C6 178.4(4) no . . . .
C5 N1 C1 C2 -0.2(8) no . . . .
C15 N4 C19 C20 -53.5(5) no . . . .
C19 N4 C15 C16 -59.1(6) no . . . .
C15 N4 C23 C24 -171.7(4) no . . . .
C23 N4 C15 C16 179.4(4) no . . . .
C15 N4 C27 C28 63.0(4) no . . . .
C27 N4 C15 C16 58.6(5) no . . . .
C19 N4 C23 C24 67.0(6) no . . . .
C23 N4 C19 C20 65.6(5) no . . . .
C19 N4 C27 C28 -176.7(3) no . . . .
C27 N4 C19 C20 -173.2(3) no . . . .
C23 N4 C27 C28 -55.5(4) no . . . .
C27 N4 C23 C24 -51.6(5) no . . . .
N1 C1 C2 C3 1.6(9) no . . . .
C1 C2 C3 C4 -1.6(9) no . . . .
C2 C3 C4 C5 0.4(9) no . . . .
C3 C4 C5 N1 0.9(8) no . . . .
C3 C4 C5 C6 -178.5(5) no . . . .
N1 C5 C6 C7 -178.3(3) no . . . .
N1 C5 C6 C11 0.5(5) no . . . .
C4 C5 C6 C7 1.1(7) no . . . .
C4 C5 C6 C11 180.0(4) no . . . .
C5 C6 C7 C8 177.8(4) no . . . .
C5 C6 C11 Pt1 2.3(5) no . . . .
C5 C6 C11 C10 -177.6(3) no . . . .
C7 C6 C11 Pt1 -178.9(3) no . . . .
C7 C6 C11 C10 1.3(6) no . . . .
C11 C6 C7 C8 -0.9(6) no . . . .
C6 C7 C8 C9 -0.3(7) no . . . .
C7 C8 C9 C10 1.1(7) no . . . .
C7 C8 C9 C12 -178.7(4) no . . . .
C8 C9 C10 C11 -0.7(7) no . . . .
C12 C9 C10 C11 179.1(4) no . . . .
C9 C10 C11 Pt1 179.8(4) no . . . .
C9 C10 C11 C6 -0.4(6) no . . . .
N4 C15 C16 C17 166.1(4) no . . . .
C15 C16 C17 C18 175.8(5) no . . . .
N4 C19 C20 C21 178.3(3) no . . . .
C19 C20 C21 C22 177.6(4) no . . . .
N4 C23 C24 C25 -174.8(4) no . . . .
C23 C24 C25 C26 -176.4(5) no . . . .
N4 C27 C28 C29 -171.8(3) no . . . .
C27 C28 C29 C30 71.3(5) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
N1 C3 2.755(9) no . .
C1 C4 2.714(8) no . .
C1 C14 3.169(9) no . .
C2 C5 2.747(8) no . .
C4 C7 3.038(7) no . .
C6 C9 2.789(7) no . .
C7 C10 2.774(8) no . .
C8 C11 2.815(6) no . .
C10 C13 3.192(7) no . .
C15 C20 2.996(9) no . .
C15 C28 3.069(9) no . .
C16 C19 3.064(7) no . .
C16 C20 3.554(9) no . .
C16 C27 3.037(8) no . .
C19 C24 3.133(8) no . .
C20 C23 3.106(9) no . .
C23 C28 3.006(9) no . .
C24 C27 2.980(7) no . .
C24 C28 3.457(9) no . .
C27 C30 3.093(10) no . .
N1 C28 3.563(7) no . .
N2 C27 3.391(6) no . 1_565
N2 C31 3.255(11) no . .
N3 C3 3.299(8) no . 2_555
N3 C4 3.426(8) no . 4_554
N3 C7 3.582(9) no . 4_554
N5 C31 3.457(17) no . 2_645
C3 N3 3.299(8) no . 2_545
C4 N3 3.426(8) no . 4_555
C5 C25 3.553(8) no . 4_555
C7 N3 3.582(9) no . 4_555
C13 C27 3.537(6) no . 1_565
C25 C5 3.553(8) no . 4_554
C27 N2 3.391(6) no . 1_545
C27 C13 3.537(6) no . 1_545
C28 N1 3.563(7) no . .
C31 N2 3.255(11) no . .
C31 N5 3.457(17) no . 2_655
Pt1 H1 3.1113(11) no . .
Pt1 H10 3.2200(10) no . .
N1 H2 3.243(4) no . .
N1 H4 3.244(5) no . .
N2 H10 3.043(5) no . .
N3 H1 3.016(6) no . .
N4 H16A 2.885(4) no . .
N4 H16B 2.696(4) no . .
N4 H20A 2.757(5) no . .
N4 H20B 2.780(5) no . .
N4 H24A 2.747(4) no . .
N4 H24B 2.818(4) no . .
N4 H28A 2.735(5) no . .
N4 H28B 2.844(5) no . .
N5 H31A 3.018(11) no . .
N5 H31B 3.025(11) no . .
N5 H31C 3.022(10) no . .
C1 H3 3.231(7) no . .
C2 H4 3.231(7) no . .
C3 H1 3.223(7) no . .
C4 H2 3.235(5) no . .
C4 H7 2.756(5) no . .
C5 H1 3.181(5) no . .
C5 H3 3.244(6) no . .
C5 H7 2.710(5) no . .
C6 H4 2.754(5) no . .
C6 H8 3.258(4) no . .
C6 H10 3.249(5) no . .
C7 H4 2.771(6) no . .
C8 H10 3.249(6) no . .
C8 H12A 3.341(6) no . .
C8 H12B 2.803(5) no . .
C8 H12C 2.803(6) no . .
C9 H7 3.269(6) no . .
C10 H8 3.254(5) no . .
C10 H12A 2.585(4) no . .
C10 H12B 3.167(4) no . .
C10 H12C 3.165(4) no . .
C11 H7 3.318(5) no . .
C12 H8 2.698(7) no . .
C12 H10 2.674(5) no . .
C13 H10 2.722(5) no . .
C14 H1 2.617(6) no . .
C15 H17A 2.703(5) no . .
C15 H17B 2.639(4) no . .
C15 H19A 2.759(4) no . .
C15 H19B 3.358(4) no . .
C15 H20A 2.641(6) no . .
C15 H20B 3.296(6) no . .
C15 H23A 2.657(5) no . .
C15 H23B 2.528(5) no . .
C15 H27A 2.665(5) no . .
C15 H27B 3.344(5) no . .
C15 H28A 2.697(6) no . .
C15 H28B 3.503(6) no . .
C16 H18A 3.354(5) no . .
C16 H18B 2.723(5) no . .
C16 H18C 2.723(5) no . .
C16 H19A 2.787(5) no . .
C16 H20A 3.022(6) no . .
C16 H27A 2.666(6) no . .
C16 H28A 3.256(6) no . .
C17 H15A 2.567(6) no . .
C17 H15B 2.770(6) no . .
C18 H16A 2.692(7) no . .
C18 H16B 2.751(7) no . .
C19 H15A 2.717(4) no . .
C19 H15B 3.360(5) no . .
C19 H16A 3.539(5) no . .
C19 H16B 2.652(5) no . .
C19 H21A 2.713(6) no . .
C19 H21B 2.678(6) no . .
C19 H23A 2.643(5) no . .
C19 H23B 3.343(5) no . .
C19 H24A 2.793(5) no . .
C19 H24B 3.550(6) no . .
C19 H27A 2.620(6) no . .
C19 H27B 2.570(6) no . .
C20 H15A 2.666(6) no . .
C20 H16B 3.089(6) no . .
C20 H22A 3.369(7) no . .
C20 H22B 2.722(7) no . .
C20 H22C 2.722(7) no . .
C20 H23A 2.720(6) no . .
C20 H24A 3.503(6) no . .
C21 H19A 2.657(7) no . .
C21 H19B 2.683(7) no . .
C22 H20A 2.734(9) no . .
C22 H20B 2.699(9) no . .
C23 H15A 2.601(5) no . .
C23 H15B 2.593(5) no . .
C23 H19A 3.341(5) no . .
C23 H19B 2.658(5) no . .
C23 H20A 3.428(6) no . .
C23 H20B 2.800(6) no . .
C23 H25A 2.697(5) no . .
C23 H25B 2.642(5) no . .
C23 H27A 3.339(5) no . .
C23 H27B 2.726(5) no . .
C23 H28A 3.211(6) no . .
C23 H28B 2.753(6) no . .
C24 H19B 2.763(6) no . .
C24 H20B 3.481(7) no . .
C24 H26A 3.352(5) no . .
C24 H26B 2.712(5) no . .
C24 H26C 2.712(6) no . .
C24 H27B 2.682(5) no . .
C24 H28B 2.948(6) no . .
C25 H23A 2.615(6) no . .
C25 H23B 2.692(6) no . .
C26 H24A 2.736(8) no . .
C26 H24B 2.683(7) no . .
C27 H15A 3.341(5) no . .
C27 H15B 2.696(4) no . .
C27 H16A 2.828(5) no . .
C27 H16B 3.181(6) no . .
C27 H19A 2.545(6) no . .
C27 H19B 2.650(6) no . .
C27 H23A 3.336(5) no . .
C27 H23B 2.754(5) no . .
C27 H24A 3.190(5) no . .
C27 H24B 2.698(5) no . .
C27 H29A 3.353(7) no . .
C27 H29B 2.619(6) no . .
C27 H30B 2.762(6) no . .
C27 H30C 3.466(6) no . .
C28 H15B 2.728(6) no . .
C28 H16A 3.253(6) no . .
C28 H23B 2.737(6) no . .
C28 H24B 2.921(6) no . .
C28 H30A 3.356(6) no . .
C28 H30B 2.707(5) no . .
C28 H30C 2.709(6) no . .
C29 H27A 2.617(8) no . .
C29 H27B 2.736(8) no . .
C30 H16A 3.419(9) no . .
C30 H27A 2.697(9) no . .
C30 H27B 3.517(8) no . .
C30 H28A 2.639(7) no . .
C30 H28B 3.345(7) no . .
H1 H2 2.3308(6) no . .
H2 H3 2.3394(7) no . .
H3 H4 2.3085(7) no . .
H4 H7 2.2171(7) no . .
H7 H8 2.3142(7) no . .
H8 H12B 2.7422(7) no . .
H8 H12C 2.7533(9) no . .
H10 H12A 2.3521(6) no . .
H10 H12B 3.3340(10) no . .
H10 H12C 3.3375(7) no . .
H15A H16A 2.8439(8) no . .
H15A H16B 2.4476(5) no . .
H15A H17A 2.4076(6) no . .
H15A H17B 2.7221(7) no . .
H15A H19A 3.1036(11) no . .
H15A H19B 3.5825(10) no . .
H15A H20A 2.1334(4) no . .
H15A H20B 2.8267(8) no . .
H15A H23A 2.4287(6) no . .
H15A H23B 2.7482(10) no . .
H15A H27A 3.5638(9) no . .
H15A H28A 3.5759(9) no . .
H15B H16A 2.2885(5) no . .
H15B H16B 2.8465(7) no . .
H15B H17A 3.1319(11) no . .
H15B H17B 2.5533(7) no . .
H15B H20A 3.5672(8) no . .
H15B H23A 2.9324(9) no . .
H15B H23B 2.2833(6) no . .
H15B H27A 2.9816(10) no . .
H15B H28A 2.1155(5) no . .
H15B H28B 3.0885(9) no . .
H16A H17A 2.8553(6) no . .
H16A H17B 2.3908(7) no . .
H16A H18A 3.5855(10) no . .
H16A H18B 2.5236(6) no . .
H16A H18C 2.9680(11) no . .
H16A H19A 3.1603(8) no . .
H16A H27A 2.2868(5) no . .
H16A H28A 2.7971(10) no . .
H16A H30B 2.9173(6) no . .
H16A H30C 3.1505(8) no . .
H16B H17A 2.3408(7) no . .
H16B H17B 2.8548(9) no . .
H16B H18B 3.0622(8) no . .
H16B H18C 2.5892(6) no . .
H16B H19A 2.1460(5) no . .
H16B H19B 3.5703(8) no . .
H16B H20A 2.6138(9) no . .
H16B H21A 3.5938(9) no . .
H16B H27A 2.6830(8) no . .
H17A H18A 2.3290(7) no . .
H17A H18B 2.8389(9) no . .
H17A H18C 2.3455(5) no . .
H17A H20A 3.1256(8) no . .
H17B H18A 2.3291(7) no . .
H17B H18B 2.3455(5) no . .
H17B H18C 2.8391(7) no . .
H19A H20A 2.3671(5) no . .
H19A H20B 2.8479(7) no . .
H19A H21A 2.4890(6) no . .
H19A H21B 2.9060(9) no . .
H19A H23A 3.5654(8) no . .
H19A H27A 2.3309(6) no . .
H19A H27B 2.7270(9) no . .
H19B H20A 2.8484(7) no . .
H19B H20B 2.3472(5) no . .
H19B H21A 2.9990(11) no . .
H19B H21B 2.4783(6) no . .
H19B H23A 2.8687(9) no . .
H19B H23B 3.5849(10) no . .
H19B H24A 2.1684(6) no . .
H19B H24B 3.1549(10) no . .
H19B H27A 2.9592(10) no . .
H19B H27B 2.3905(6) no . .
H20A H21A 2.3747(7) no . .
H20A H21B 2.8752(8) no . .
H20A H22B 3.0308(9) no . .
H20A H22C 2.5612(6) no . .
H20A H23A 3.0014(10) no . .
H20B H21A 2.8753(7) no . .
H20B H21B 2.4023(7) no . .
H20B H22A 3.5961(9) no . .
H20B H22B 2.5239(6) no . .
H20B H22C 2.9775(10) no . .
H20B H23A 2.1720(6) no . .
H20B H24A 3.1466(10) no . .
H21A H22A 2.3581(7) no . .
H21A H22B 2.8599(8) no . .
H21A H22C 2.3700(5) no . .
H21B H22A 2.3580(7) no . .
H21B H22B 2.3699(5) no . .
H21B H22C 2.8598(7) no . .
H23A H24A 2.4010(7) no . .
H23A H24B 2.8578(7) no . .
H23A H25A 2.4461(6) no . .
H23A H25B 2.8268(10) no . .
H23A H27B 3.5777(9) no . .
H23B H24A 2.8588(8) no . .
H23B H24B 2.3413(6) no . .
H23B H25A 3.0266(10) no . .
H23B H25B 2.4700(6) no . .
H23B H27B 3.1453(10) no . .
H23B H28A 2.7575(9) no . .
H23B H28B 2.3494(5) no . .
H24A H25A 2.3492(6) no . .
H24A H25B 2.8594(8) no . .
H24A H26B 2.5624(7) no . .
H24A H26C 3.0368(11) no . .
H24A H27B 2.7102(9) no . .
H24B H25A 2.8596(8) no . .
H24B H25B 2.3902(6) no . .
H24B H26A 3.5761(9) no . .
H24B H26B 2.9568(9) no . .
H24B H26C 2.5058(6) no . .
H24B H27B 2.2680(5) no . .
H24B H28B 2.3189(7) no . .
H25A H26A 2.3611(8) no . .
H25A H26B 2.3731(6) no . .
H25A H26C 2.8623(7) no . .
H25B H26A 2.3610(5) no . .
H25B H26B 2.8624(8) no . .
H25B H26C 2.3730(6) no . .
H27A H28A 2.4373(6) no . .
H27A H28B 2.8740(8) no . .
H27A H29A 3.5671(10) no . .
H27A H29B 2.7477(8) no . .
H27A H30A 3.5287(10) no . .
H27A H30B 2.1003(7) no . .
H27A H30C 3.0958(9) no . .
H27B H28A 2.8755(8) no . .
H27B H28B 2.3484(6) no . .
H27B H29A 3.5649(8) no . .
H27B H29B 2.4806(6) no . .
H27B H30B 3.1858(11) no . .
H28A H29A 2.4464(5) no . .
H28A H29B 2.8711(8) no . .
H28A H30A 3.5518(9) no . .
H28A H30B 2.8859(7) no . .
H28A H30C 2.4640(7) no . .
H28B H29A 2.3087(7) no . .
H28B H29B 2.4411(6) no . .
H28B H30C 3.5448(10) no . .
H29A H30A 2.3394(5) no . .
H29A H30B 2.8447(9) no . .
H29A H30C 2.3516(7) no . .
H29B H30A 2.3394(7) no . .
H29B H30B 2.3517(7) no . .
H29B H30C 2.8447(6) no . .
Pt1 H15B 3.0526(7) no . .
Pt1 H28A 2.9264(10) no . .
Pt1 H29B 3.2959(11) no . 1_565
Pt1 H30B 3.5849(11) no . 1_565
N1 H25A 3.022(4) no . 4_555
N1 H28A 2.993(4) no . .
N1 H28B 3.476(4) no . .
N1 H29A 3.233(4) no . .
N2 H8 2.824(5) no . 4_554
N2 H15B 3.503(4) no . .
N2 H17B 2.763(4) no . .
N2 H19A 2.796(5) no . 1_565
N2 H22B 3.269(5) no . 4_555
N2 H27A 2.624(4) no . 1_565
N2 H27B 3.294(4) no . 1_565
N2 H30B 3.188(5) no . 1_565
N2 H31B 2.290(5) no . .
N3 H2 3.205(6) no . 2_555
N3 H3 2.498(5) no . 2_555
N3 H4 2.520(5) no . 4_554
N3 H7 2.677(6) no . 4_554
N3 H23B 3.554(6) no . .
N3 H24B 3.489(6) no . 1_565
N3 H27B 2.914(6) no . 1_565
N3 H29B 3.357(6) no . 1_565
N5 H12B 3.522(9) no . 3_666
N5 H12B 3.432(9) no . 4_554
N5 H12C 3.445(9) no . 4_554
N5 H16B 3.055(12) no . 2_655
N5 H17A 3.324(11) no . .
N5 H17A 3.127(11) no . 2_655
N5 H18A 3.356(11) no . .
N5 H18C 2.991(11) no . 2_655
N5 H20A 3.067(9) no . 2_655
N5 H21A 3.010(9) no . 2_655
N5 H22C 3.192(10) no . 2_655
N5 H31C 2.531(11) no . 2_645
C1 H26A 3.409(6) no . 3_555
C1 H28B 3.469(6) no . .
C1 H29A 3.382(6) no . .
C2 H29A 3.446(7) no . .
C2 H29B 3.401(6) no . 2_555
C3 H25B 3.590(6) no . 4_555
C3 H26B 3.175(6) no . 4_545
C3 H26C 3.580(7) no . 2_555
C3 H29A 3.353(7) no . .
C4 H25A 3.459(6) no . 4_555
C4 H25B 3.128(6) no . 4_555
C4 H26B 3.286(5) no . 4_545
C4 H29A 3.180(6) no . .
C5 H25A 2.916(4) no . 4_555
C5 H25B 3.251(5) no . 4_555
C5 H28A 3.434(6) no . .
C5 H29A 3.105(4) no . .
C5 H30C 3.223(5) no . .
C6 H23A 3.004(4) no . 4_555
C6 H25A 3.205(4) no . 4_555
C6 H28A 3.568(5) no . .
C6 H30C 2.879(4) no . .
C7 H15A 3.481(5) no . 4_555
C7 H19B 3.070(4) no . 4_545
C7 H21B 3.394(5) no . 4_545
C7 H23A 2.968(5) no . 4_555
C7 H23B 3.379(5) no . 4_555
C7 H30C 3.118(5) no . .
C8 H15A 2.829(5) no . 4_555
C8 H19A 3.577(4) no . 4_545
C8 H19B 3.173(5) no . 4_545
C8 H21A 3.485(5) no . 4_545
C8 H21B 2.934(5) no . 4_545
C8 H23A 3.227(5) no . 4_555
C9 H15A 3.141(6) no . 4_555
C9 H20A 3.269(5) no . 4_555
C9 H20B 3.297(5) no . 4_555
C9 H21B 3.129(5) no . 4_545
C9 H23A 3.521(6) no . 4_555
C10 H17B 3.257(6) no . .
C10 H18B 3.526(5) no . .
C10 H20B 3.066(5) no . 4_555
C10 H22B 3.504(5) no . 4_555
C10 H23A 3.526(5) no . 4_555
C11 H20B 3.462(4) no . 4_555
C11 H23A 3.306(5) no . 4_555
C11 H25A 3.534(5) no . 4_555
C11 H28A 3.294(4) no . .
C11 H30C 3.282(4) no . .
C12 H15A 3.477(7) no . 4_555
C12 H17A 3.488(6) no . 4_555
C12 H18B 3.377(7) no . .
C12 H18C 3.578(6) no . 3_656
C12 H20A 3.230(6) no . 4_555
C12 H21A 3.499(6) no . 4_545
C12 H22C 3.534(6) no . 4_555
C12 H31A 3.476(6) no . 3_666
C12 H31C 3.429(6) no . 3_666
C13 H8 3.299(6) no . 4_554
C13 H15B 2.976(5) no . .
C13 H17B 2.875(5) no . .
C13 H22B 3.592(4) no . 4_555
C13 H27A 2.886(4) no . 1_565
C13 H27B 3.244(4) no . 1_565
C13 H30B 3.006(5) no . 1_565
C13 H31B 3.334(5) no . .
C14 H2 3.356(6) no . 2_555
C14 H3 3.337(5) no . 2_555
C14 H4 3.531(6) no . 4_554
C14 H7 3.099(6) no . 4_554
C14 H15B 3.593(6) no . .
C14 H23B 3.363(6) no . .
C14 H27B 2.996(6) no . 1_565
C14 H29B 2.991(6) no . 1_565
C15 H8 3.509(5) no . 4_554
C17 H10 3.415(7) no . .
C17 H12B 3.491(7) no . 4_554
C17 H31B 3.598(6) no . .
C18 H10 3.598(8) no . .
C18 H12A 3.572(8) no . .
C18 H22A 3.190(8) no . 4_545
C19 H8 3.390(5) no . 4_544
C19 H30A 3.568(5) no . 4_544
C20 H12B 3.555(5) no . 4_554
C20 H30A 3.329(5) no . 4_544
C21 H8 3.537(6) no . 4_544
C21 H12C 3.289(5) no . 4_544
C21 H30B 3.451(5) no . 4_544
C21 H30C 3.394(5) no . 4_544
C22 H10 3.581(7) no . 4_554
C22 H18A 3.487(8) no . 2_645
C22 H18B 3.378(7) no . 4_544
C22 H30B 3.445(7) no . 4_544
C22 H31A 3.314(9) no . 4_554
C23 H30A 3.502(5) no . 4_544
C24 H30A 2.971(7) no . 4_544
C25 H26C 3.385(7) no . 3_555
C25 H30A 3.114(8) no . 4_544
C26 H1 3.321(7) no . 3_555
C26 H25B 3.291(10) no . 3_555
C26 H26C 3.512(9) no . 3_555
C26 H29A 3.520(9) no . 4_544
C29 H2 3.143(6) no . 2_545
C29 H26B 3.326(8) no . 4_545
C30 H19B 3.549(7) no . 4_545
C30 H20B 3.162(7) no . 4_545
C30 H21B 3.054(7) no . 4_545
C30 H22B 3.482(8) no . 4_545
C30 H24A 3.128(9) no . 4_545
C30 H25A 3.458(9) no . 4_545
C31 H12A 3.389(10) no . 3_666
C31 H12B 3.364(10) no . 3_666
C31 H16B 3.525(11) no . 1_565
C31 H22B 3.590(14) no . 4_555
C31 H22C 3.468(10) no . 2_655
C32 H12B 3.217(9) no . 3_666
C32 H17A 3.327(10) no . .
C32 H17A 3.417(11) no . 2_655
C32 H18A 3.241(11) no . .
C32 H20A 3.532(9) no . 2_655
C32 H22C 3.075(9) no . 2_655
C32 H31C 3.596(11) no . 2_645
H1 C26 3.321(7) no . 3_555
H1 H2 3.2980(11) no . 2_555
H1 H3 3.5344(8) no . 2_555
H1 H26A 2.8191(6) no . 3_555
H1 H26B 3.0325(8) no . 3_555
H1 H28B 3.4556(9) no . .
H2 N3 3.205(6) no . 2_545
H2 C14 3.356(6) no . 2_545
H2 C29 3.143(6) no . 2_555
H2 H1 3.2980(11) no . 2_545
H2 H26A 3.2266(10) no . 3_555
H2 H26B 3.3944(11) no . 3_555
H2 H28B 3.5091(9) no . 2_555
H2 H29A 2.9603(6) no . 2_555
H2 H29B 2.4891(8) no . 2_555
H3 N3 2.498(5) no . 2_545
H3 C14 3.337(5) no . 2_545
H3 H1 3.5344(8) no . 2_545
H3 H3 3.2932(11) no . 3_556
H3 H4 3.2796(8) no . 3_556
H3 H24B 3.5567(9) no . 2_555
H3 H26B 3.0182(9) no . 4_545
H3 H26C 3.3133(8) no . 2_555
H3 H26C 3.3936(11) no . 4_545
H4 N3 2.520(5) no . 4_555
H4 C14 3.531(6) no . 4_555
H4 H3 3.2796(8) no . 3_556
H4 H24A 3.2385(10) no . 4_545
H4 H25B 3.2577(11) no . 4_555
H4 H26B 3.2097(9) no . 4_545
H7 N3 2.677(6) no . 4_555
H7 C14 3.099(6) no . 4_555
H7 H19B 2.7491(8) no . 4_545
H7 H23A 3.3291(12) no . 4_555
H7 H23B 3.2847(10) no . 4_555
H7 H24A 3.2632(11) no . 4_545
H7 H27B 3.3980(8) no . 4_545
H7 H30C 3.4262(8) no . .
H8 N2 2.824(5) no . 4_555
H8 C13 3.299(6) no . 4_555
H8 C15 3.509(5) no . 4_555
H8 C19 3.390(5) no . 4_545
H8 C21 3.537(6) no . 4_545
H8 H15A 2.7162(9) no . 4_555
H8 H15B 3.4081(8) no . 4_555
H8 H17A 3.5502(7) no . 4_555
H8 H19A 2.9530(10) no . 4_545
H8 H19B 2.9315(9) no . 4_545
H8 H21A 3.1973(8) no . 4_545
H8 H21B 3.0515(7) no . 4_545
H10 C17 3.415(7) no . .
H10 C18 3.598(8) no . .
H10 C22 3.581(7) no . 4_555
H10 H17B 2.6022(6) no . .
H10 H18B 3.1819(8) no . .
H10 H20B 3.1907(7) no . 4_555
H10 H22B 2.9010(10) no . 4_555
H10 H22C 3.4136(8) no . 4_555
H12A C18 3.572(8) no . .
H12A C31 3.389(10) no . 3_666
H12A H18A 3.3024(8) no . .
H12A H18B 2.9724(7) no . .
H12A H18C 3.4950(8) no . 3_656
H12A H20A 3.3599(7) no . 4_555
H12A H22B 3.5849(10) no . 4_555
H12A H22C 2.9271(10) no . 4_555
H12A H31A 2.8773(8) no . 3_666
H12A H31C 3.2393(8) no . 3_666
H12B N5 3.522(9) no . 3_666
H12B N5 3.432(9) no . 4_555
H12B C17 3.491(7) no . 4_555
H12B C20 3.555(5) no . 4_555
H12B C31 3.364(10) no . 3_666
H12B C32 3.217(9) no . 3_666
H12B H15A 2.8686(8) no . 4_555
H12B H17A 2.5548(8) no . 4_555
H12B H20A 2.6638(8) no . 4_555
H12B H22C 3.3717(9) no . 4_555
H12B H31A 3.2889(10) no . 3_666
H12B H31C 3.0453(10) no . 3_666
H12C N5 3.445(9) no . 4_555
H12C C21 3.289(5) no . 4_545
H12C H18B 3.1448(10) no . .
H12C H18C 2.8969(10) no . 3_656
H12C H21A 2.6635(9) no . 4_545
H12C H21B 3.0825(7) no . 4_545
H12C H22A 3.5037(9) no . 4_545
H12C H31C 3.4398(8) no . 3_666
H15A C7 3.481(5) no . 4_554
H15A C8 2.829(5) no . 4_554
H15A C9 3.141(6) no . 4_554
H15A C12 3.477(7) no . 4_554
H15A H8 2.7162(9) no . 4_554
H15A H12B 2.8686(8) no . 4_554
H15B Pt1 3.0526(7) no . .
H15B N2 3.503(4) no . .
H15B C13 2.976(5) no . .
H15B C14 3.593(6) no . .
H15B H8 3.4081(8) no . 4_554
H16A H22A 3.3027(8) no . 4_545
H16A H22B 3.3897(8) no . 4_545
H16B N5 3.055(12) no . 2_645
H16B C31 3.525(11) no . 1_545
H16B H31B 3.3405(10) no . 1_545
H16B H31C 2.8637(7) no . 1_545
H17A N5 3.324(11) no . .
H17A N5 3.127(11) no . 2_645
H17A C12 3.488(6) no . 4_554
H17A C32 3.327(10) no . .
H17A C32 3.417(11) no . 2_645
H17A H8 3.5502(7) no . 4_554
H17A H12B 2.5548(8) no . 4_554
H17A H31B 3.3800(11) no . .
H17B N2 2.763(4) no . .
H17B C10 3.257(6) no . .
H17B C13 2.875(5) no . .
H17B H10 2.6022(6) no . .
H17B H31B 2.9954(9) no . .
H18A N5 3.356(11) no . .
H18A C22 3.487(8) no . 2_655
H18A C32 3.241(11) no . .
H18A H12A 3.3024(8) no . .
H18A H21A 3.4675(12) no . 2_655
H18A H22A 2.9808(8) no . 2_655
H18A H22C 3.2152(8) no . 2_655
H18A H31A 3.4502(12) no . .
H18A H31B 3.5365(10) no . .
H18B C10 3.526(5) no . .
H18B C12 3.377(7) no . .
H18B C22 3.378(7) no . 4_545
H18B H10 3.1819(8) no . .
H18B H12A 2.9724(7) no . .
H18B H12C 3.1448(10) no . .
H18B H21B 3.5244(7) no . 4_545
H18B H22A 2.4818(7) no . 4_545
H18C N5 2.991(11) no . 2_645
H18C C12 3.578(6) no . 3_656
H18C H12A 3.4950(8) no . 3_656
H18C H12C 2.8969(10) no . 3_656
H18C H22A 3.0474(7) no . 4_545
H18C H31A 3.5702(12) no . 1_545
H18C H31C 2.8646(9) no . 1_545
H19A N2 2.796(5) no . 1_545
H19A C8 3.577(4) no . 4_544
H19A H8 2.9530(10) no . 4_544
H19A H31B 3.3240(7) no . 1_545
H19A H31C 3.5588(10) no . 1_545
H19B C7 3.070(4) no . 4_544
H19B C8 3.173(5) no . 4_544
H19B C30 3.549(7) no . 4_544
H19B H7 2.7491(8) no . 4_544
H19B H8 2.9315(9) no . 4_544
H19B H30A 3.0055(9) no . 4_544
H19B H30C 3.2332(11) no . 4_544
H20A N5 3.067(9) no . 2_645
H20A C9 3.269(5) no . 4_554
H20A C12 3.230(6) no . 4_554
H20A C32 3.532(9) no . 2_645
H20A H12A 3.3599(7) no . 4_554
H20A H12B 2.6638(8) no . 4_554
H20B C9 3.297(5) no . 4_554
H20B C10 3.066(5) no . 4_554
H20B C11 3.462(4) no . 4_554
H20B C30 3.162(7) no . 4_544
H20B H10 3.1907(7) no . 4_554
H20B H30A 2.6394(6) no . 4_544
H20B H30B 2.9987(9) no . 4_544
H20B H30C 3.3524(8) no . 4_544
H21A N5 3.010(9) no . 2_645
H21A C8 3.485(5) no . 4_544
H21A C12 3.499(6) no . 4_544
H21A H8 3.1973(8) no . 4_544
H21A H12C 2.6635(9) no . 4_544
H21A H18A 3.4675(12) no . 2_645
H21B C7 3.394(5) no . 4_544
H21B C8 2.934(5) no . 4_544
H21B C9 3.129(5) no . 4_544
H21B C30 3.054(7) no . 4_544
H21B H8 3.0515(7) no . 4_544
H21B H12C 3.0825(7) no . 4_544
H21B H18B 3.5244(7) no . 4_544
H21B H30A 3.1541(8) no . 4_544
H21B H30B 2.9496(7) no . 4_544
H21B H30C 2.5609(7) no . 4_544
H22A C18 3.190(8) no . 4_544
H22A H12C 3.5037(9) no . 4_544
H22A H16A 3.3027(8) no . 4_544
H22A H18A 2.9808(8) no . 2_645
H22A H18B 2.4818(7) no . 4_544
H22A H18C 3.0474(7) no . 4_544
H22A H31A 3.0814(6) no . 4_554
H22B N2 3.269(5) no . 4_554
H22B C10 3.504(5) no . 4_554
H22B C13 3.592(4) no . 4_554
H22B C30 3.482(8) no . 4_544
H22B C31 3.590(14) no . 4_554
H22B H10 2.9010(10) no . 4_554
H22B H12A 3.5849(10) no . 4_554
H22B H16A 3.3897(8) no . 4_544
H22B H30B 2.7290(8) no . 4_544
H22B H30C 3.5781(10) no . 4_544
H22B H31A 3.1315(8) no . 4_554
H22B H31B 3.2770(8) no . 4_554
H22C N5 3.192(10) no . 2_645
H22C C12 3.534(6) no . 4_554
H22C C31 3.468(10) no . 2_645
H22C C32 3.075(9) no . 2_645
H22C H10 3.4136(8) no . 4_554
H22C H12A 2.9271(10) no . 4_554
H22C H12B 3.3717(9) no . 4_554
H22C H18A 3.2152(8) no . 2_645
H22C H31A 2.9019(7) no . 2_645
H22C H31A 3.1604(8) no . 4_554
H23A C6 3.004(4) no . 4_554
H23A C7 2.968(5) no . 4_554
H23A C8 3.227(5) no . 4_554
H23A C9 3.521(6) no . 4_554
H23A C10 3.526(5) no . 4_554
H23A C11 3.306(5) no . 4_554
H23A H7 3.3291(12) no . 4_554
H23A H30A 3.1038(8) no . 4_544
H23B N3 3.554(6) no . .
H23B C7 3.379(5) no . 4_554
H23B C14 3.363(6) no . .
H23B H7 3.2847(10) no . 4_554
H24A C30 3.128(9) no . 4_544
H24A H4 3.2385(10) no . 4_544
H24A H7 3.2632(11) no . 4_544
H24A H30A 2.2831(6) no . 4_544
H24A H30C 3.2185(7) no . 4_544
H24B N3 3.489(6) no . 1_545
H24B H3 3.5567(9) no . 2_545
H25A N1 3.022(4) no . 4_554
H25A C4 3.459(6) no . 4_554
H25A C5 2.916(4) no . 4_554
H25A C6 3.205(4) no . 4_554
H25A C11 3.534(5) no . 4_554
H25A C30 3.458(9) no . 4_544
H25A H29B 3.3969(9) no . 4_544
H25A H30A 2.5881(6) no . 4_544
H25B C3 3.590(6) no . 4_554
H25B C4 3.128(6) no . 4_554
H25B C5 3.251(5) no . 4_554
H25B C26 3.291(10) no . 3_555
H25B H4 3.2577(11) no . 4_554
H25B H26A 3.2094(8) no . 3_555
H25B H26C 2.5552(7) no . 3_555
H26A C1 3.409(6) no . 3_555
H26A H1 2.8191(6) no . 3_555
H26A H2 3.2266(10) no . 3_555
H26A H25B 3.2094(8) no . 3_555
H26A H26C 3.3888(8) no . 3_555
H26A H28B 3.4733(10) no . 3_555
H26B C3 3.175(6) no . 4_544
H26B C4 3.286(5) no . 4_544
H26B C29 3.326(8) no . 4_544
H26B H1 3.0325(8) no . 3_555
H26B H2 3.3944(11) no . 3_555
H26B H3 3.0182(9) no . 4_544
H26B H4 3.2097(9) no . 4_544
H26B H29A 2.6377(6) no . 4_544
H26B H29B 3.3442(8) no . 4_544
H26B H30A 3.1121(11) no . 4_544
H26C C3 3.580(7) no . 2_545
H26C C25 3.385(7) no . 3_555
H26C C26 3.512(9) no . 3_555
H26C H3 3.3133(8) no . 2_545
H26C H3 3.3936(11) no . 4_544
H26C H25B 2.5552(7) no . 3_555
H26C H26A 3.3888(8) no . 3_555
H26C H26C 3.2140(9) no . 3_555
H27A N2 2.624(4) no . 1_545
H27A C13 2.886(4) no . 1_545
H27B N2 3.294(4) no . 1_545
H27B N3 2.914(6) no . 1_545
H27B C13 3.244(4) no . 1_545
H27B C14 2.996(6) no . 1_545
H27B H7 3.3980(8) no . 4_544
H28A Pt1 2.9264(10) no . .
H28A N1 2.993(4) no . .
H28A C5 3.434(6) no . .
H28A C6 3.568(5) no . .
H28A C11 3.294(4) no . .
H28B N1 3.476(4) no . .
H28B C1 3.469(6) no . .
H28B H1 3.4556(9) no . .
H28B H2 3.5091(9) no . 2_545
H28B H26A 3.4733(10) no . 3_555
H29A N1 3.233(4) no . .
H29A C1 3.382(6) no . .
H29A C2 3.446(7) no . .
H29A C3 3.353(7) no . .
H29A C4 3.180(6) no . .
H29A C5 3.105(4) no . .
H29A C26 3.520(9) no . 4_545
H29A H2 2.9603(6) no . 2_545
H29A H26B 2.6377(6) no . 4_545
H29B Pt1 3.2959(11) no . 1_545
H29B N3 3.357(6) no . 1_545
H29B C2 3.401(6) no . 2_545
H29B C14 2.991(6) no . 1_545
H29B H2 2.4891(8) no . 2_545
H29B H25A 3.3969(9) no . 4_545
H29B H26B 3.3442(8) no . 4_545
H30A C19 3.568(5) no . 4_545
H30A C20 3.329(5) no . 4_545
H30A C23 3.502(5) no . 4_545
H30A C24 2.971(7) no . 4_545
H30A C25 3.114(8) no . 4_545
H30A H19B 3.0055(9) no . 4_545
H30A H20B 2.6394(6) no . 4_545
H30A H21B 3.1541(8) no . 4_545
H30A H23A 3.1038(8) no . 4_545
H30A H24A 2.2831(6) no . 4_545
H30A H25A 2.5881(6) no . 4_545
H30A H26B 3.1121(11) no . 4_545
H30B Pt1 3.5849(11) no . 1_545
H30B N2 3.188(5) no . 1_545
H30B C13 3.006(5) no . 1_545
H30B C21 3.451(5) no . 4_545
H30B C22 3.445(7) no . 4_545
H30B H20B 2.9987(9) no . 4_545
H30B H21B 2.9496(7) no . 4_545
H30B H22B 2.7290(8) no . 4_545
H30C C5 3.223(5) no . .
H30C C6 2.879(4) no . .
H30C C7 3.118(5) no . .
H30C C11 3.282(4) no . .
H30C C21 3.394(5) no . 4_545
H30C H7 3.4262(8) no . .
H30C H19B 3.2332(11) no . 4_545
H30C H20B 3.3524(8) no . 4_545
H30C H21B 2.5609(7) no . 4_545
H30C H22B 3.5781(10) no . 4_545
H30C H24A 3.2185(7) no . 4_545
H31A C12 3.476(6) no . 3_666
H31A C22 3.314(9) no . 4_555
H31A H12A 2.8773(8) no . 3_666
H31A H12B 3.2889(10) no . 3_666
H31A H18A 3.4502(12) no . .
H31A H18C 3.5702(12) no . 1_565
H31A H22A 3.0814(6) no . 4_555
H31A H22B 3.1315(8) no . 4_555
H31A H22C 2.9019(7) no . 2_655
H31A H22C 3.1604(8) no . 4_555
H31B N2 2.290(5) no . .
H31B C13 3.334(5) no . .
H31B C17 3.598(6) no . .
H31B H16B 3.3405(10) no . 1_565
H31B H17A 3.3800(11) no . .
H31B H17B 2.9954(9) no . .
H31B H18A 3.5365(10) no . .
H31B H19A 3.3240(7) no . 1_565
H31B H22B 3.2770(8) no . 4_555
H31C N5 2.531(11) no . 2_655
H31C C12 3.429(6) no . 3_666
H31C C32 3.596(11) no . 2_655
H31C H12A 3.2393(8) no . 3_666
H31C H12B 3.0453(10) no . 3_666
H31C H12C 3.4398(8) no . 3_666
H31C H16B 2.8637(7) no . 1_565
H31C H18C 2.8646(9) no . 1_565
H31C H19A 3.5588(10) no . 1_565

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

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



#==============================================================================
#     End of CIF
#==============================================================================
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: MeCN/Et2O'
####################################################################### 
# 
# 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_20150409_KPt(ptpy)(CN)2_2
_database_code_depnum_ccdc_archive 'CCDC 1061289'
_audit_update_record             
;
2015-04-23 deposited with the CCDC.
2015-07-14 downloaded from the CCDC.
;

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

_chemical_formula_sum            'C31 H30 K2 N6 O3 Pt2'
_chemical_formula_moiety         'C31 H30 K2 N6 O3 Pt2'
_chemical_formula_weight         1002.99
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
_space_group_IT_number           14
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   19.743(5)
_cell_length_b                   12.197(3)
_cell_length_c                   14.509(4)
_cell_angle_alpha                90.0000
_cell_angle_beta                 108.445(3)
_cell_angle_gamma                90.0000
_cell_volume                     3314.4(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9750
_cell_measurement_theta_min      3.10
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    150
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.520
_exptl_crystal_size_mid          0.430
_exptl_crystal_size_min          0.410
_exptl_crystal_density_diffrn    2.010
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1904.00
_exptl_absorpt_coefficient_mu    8.691
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_absorpt_correction_T_min  0.006
_exptl_absorpt_correction_T_max  0.028

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

_diffrn_ambient_temperature      150
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.314
_diffrn_reflns_number            25015
_diffrn_reflns_av_R_equivalents  0.0524
_diffrn_reflns_theta_max         27.512
_diffrn_reflns_theta_min         3.263
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

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

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             7536
_reflns_number_gt                6163
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0563
_refine_ls_R_factor_gt           0.0458
_refine_ls_wR_factor_ref         0.1278
_refine_ls_wR_factor_gt          0.1210
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         7536
_refine_ls_number_parameters     391
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0708P)²+2.4194P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.002
_refine_diff_density_max         4.54
_refine_diff_density_min         -6.97
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
K K 0.2009 0.2494
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt(1) Pt 0.19256(2) -0.05933(2) 0.24944(2) 0.02495(10) Uani 1 4 d . . .
Pt(2) Pt 0.22489(2) 0.13801(2) 0.11572(2) 0.02331(10) Uani 1 4 d . . .
K(1) K -0.02280(11) 0.0948(2) 0.14252(16) 0.0522(5) Uani 1 4 d . . .
K(2) K 0.03890(11) 0.24060(16) -0.10577(15) 0.0441(4) Uani 1 4 d . . .
O(1) O -0.0793(4) 0.3798(7) -0.1898(6) 0.074(2) Uani 1 4 d . . .
O(2) O -0.1537(3) 0.2365(5) 0.1120(5) 0.0441(4) Uani 1 4 d . . .
O(3) O -0.0094(5) 0.1621(9) -0.2893(6) 0.101(4) Uani 1 4 d . . .
N(6) N 0.0951(4) 0.0826(6) 0.3309(6) 0.0467(19) Uani 1 4 d . . .
N(13) N 0.1399(4) 0.0497(7) -0.0884(6) 0.051(2) Uani 1 4 d . . .
N(26) N 0.0846(4) 0.2700(6) 0.1086(5) 0.0413(17) Uani 1 4 d . . .
N(28) N 0.0581(4) -0.1062(7) 0.0630(6) 0.0460(18) Uani 1 4 d . . .
N(39) N 0.2873(3) 0.1990(5) 0.2478(4) 0.0241(12) Uani 1 4 d . . .
N(40) N 0.2628(4) -0.1554(5) 0.2067(5) 0.0283(14) Uani 1 4 d . . .
C(1) C 0.2465(5) -0.2097(7) 0.1210(6) 0.0354(18) Uani 1 4 d . . .
C(2) C 0.2967(5) -0.2751(6) 0.0977(6) 0.040(2) Uani 1 4 d . . .
C(3) C 0.3634(5) -0.2839(7) 0.1649(7) 0.044(2) Uani 1 4 d . . .
C(4) C 0.3816(4) -0.2288(6) 0.2516(6) 0.0348(18) Uani 1 4 d . . .
C(5) C 0.3298(4) -0.1621(6) 0.2712(6) 0.0273(15) Uani 1 4 d . . .
C(6) C 0.3406(4) -0.0975(6) 0.3596(5) 0.0245(14) Uani 1 4 d . . .
C(7) C 0.4064(4) -0.0883(6) 0.4322(6) 0.0305(16) Uani 1 4 d . . .
C(8) C 0.4144(4) -0.0246(6) 0.5146(6) 0.0346(18) Uani 1 4 d . . .
C(9) C 0.3539(4) 0.0326(6) 0.5232(6) 0.0313(16) Uani 1 4 d . . .
C(10) C 0.2889(4) 0.0234(6) 0.4502(6) 0.0279(15) Uani 1 4 d . . .
C(11) C 0.2801(4) -0.0393(6) 0.3665(6) 0.0262(15) Uani 1 4 d . . .
C(12) C 0.3616(5) 0.0993(8) 0.6121(7) 0.044(2) Uani 1 4 d . . .
C(13) C 0.1328(4) 0.0304(7) 0.3011(6) 0.0334(17) Uani 1 4 d . . .
C(14) C 0.1076(4) -0.0887(7) 0.1305(6) 0.0331(17) Uani 1 4 d . . .
C(15) C 0.2618(4) 0.2586(6) 0.3066(6) 0.0324(17) Uani 1 4 d . . .
C(16) C 0.3063(5) 0.2989(6) 0.3939(6) 0.0359(18) Uani 1 4 d . . .
C(17) C 0.3788(5) 0.2785(6) 0.4201(6) 0.0355(18) Uani 1 4 d . . .
C(18) C 0.4040(4) 0.2165(6) 0.3590(6) 0.0328(17) Uani 1 4 d . . .
C(19) C 0.3578(4) 0.1747(6) 0.2724(5) 0.0248(14) Uani 1 4 d . . .
C(20) C 0.3765(4) 0.1035(6) 0.2026(5) 0.0249(15) Uani 1 4 d . . .
C(21) C 0.4462(4) 0.0687(6) 0.2160(7) 0.0363(19) Uani 1 4 d . . .
C(22) C 0.4615(4) -0.0002(7) 0.1520(6) 0.0362(18) Uani 1 4 d . . .
C(23) C 0.4054(4) -0.0376(6) 0.0686(6) 0.0305(17) Uani 1 4 d . . .
C(24) C 0.3361(4) -0.0027(6) 0.0572(6) 0.0283(16) Uani 1 4 d . . .
C(25) C 0.3197(4) 0.0693(5) 0.1229(5) 0.0246(15) Uani 1 4 d . . .
C(26) C 0.4210(5) -0.1149(8) -0.0029(7) 0.046(2) Uani 1 4 d . . .
C(27) C 0.1730(5) 0.0789(7) -0.0120(6) 0.0341(18) Uani 1 4 d . . .
C(28) C 0.1348(4) 0.2200(7) 0.1134(6) 0.0326(17) Uani 1 4 d . . .
C(29) C -0.1204(6) 0.4218(8) -0.1543(9) 0.057(3) Uani 1 4 d . . .
C(30) C -0.1052(8) 0.4308(11) -0.0450(10) 0.088(5) Uani 1 4 d . . .
C(31) C -0.1894(7) 0.4573(13) -0.2196(14) 0.120(7) Uani 1 4 d . . .
H(1) H 0.19987 -0.20307 0.07584 0.0424 Uiso 1 4 calc R . .
H(2) H 0.2851 -0.31238 0.0372 0.0478 Uiso 1 4 calc R . .
H(3) H 0.39788 -0.32959 0.15088 0.0523 Uiso 1 4 calc R . .
H(4) H 0.42808 -0.23552 0.29729 0.0418 Uiso 1 4 calc R . .
H(7) H 0.44651 -0.12621 0.42526 0.0366 Uiso 1 4 calc R . .
H(8) H 0.45935 -0.01947 0.56403 0.0416 Uiso 1 4 calc R . .
H(10) H 0.24881 0.06127 0.4572 0.0335 Uiso 1 4 calc R . .
H(12A) H 0.4111 0.09578 0.65498 0.0533 Uiso 1 4 calc R . .
H(12B) H 0.34889 0.17569 0.59349 0.0533 Uiso 1 4 calc R . .
H(12C) H 0.32977 0.07035 0.64621 0.0533 Uiso 1 4 calc R . .
H(15) H 0.21204 0.27357 0.28825 0.0389 Uiso 1 4 calc R . .
H(16) H 0.28728 0.34016 0.43544 0.0431 Uiso 1 4 calc R . .
H(17) H 0.41048 0.30686 0.47901 0.0426 Uiso 1 4 calc R . .
H(18) H 0.45374 0.20176 0.37599 0.0393 Uiso 1 4 calc R . .
H(21) H 0.48369 0.09361 0.27101 0.0435 Uiso 1 4 calc R . .
H(22) H 0.50921 -0.0236 0.16241 0.0435 Uiso 1 4 calc R . .
H(24) H 0.29832 -0.02853 0.00294 0.0340 Uiso 1 4 calc R . .
H(26A) H 0.47237 -0.13002 0.01695 0.0552 Uiso 1 4 calc R . .
H(26B) H 0.39491 -0.18362 -0.00465 0.0552 Uiso 1 4 calc R . .
H(26C) H 0.40589 -0.08144 -0.06765 0.0552 Uiso 1 4 calc R . .
H(30A) H -0.14527 0.46751 -0.03166 0.1055 Uiso 1 4 calc R . .
H(30B) H -0.09907 0.35727 -0.01634 0.1055 Uiso 1 4 calc R . .
H(30C) H -0.06147 0.47346 -0.01659 0.1055 Uiso 1 4 calc R . .
H(31A) H -0.21745 0.48985 -0.18165 0.1441 Uiso 1 4 calc R . .
H(31B) H -0.18206 0.51192 -0.26508 0.1441 Uiso 1 4 calc R . .
H(31C) H -0.215 0.39408 -0.25592 0.1441 Uiso 1 4 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2013)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16'
_computing_structure_solution    'SIR2011 (Burla, et al., 2012)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

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

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pt(1) N(40) 2.056(7) yes . .
Pt(1) C(11) 2.018(7) yes . .
Pt(1) C(13) 1.926(9) yes . .
Pt(1) C(14) 2.022(7) yes . .
Pt(2) N(39) 2.061(5) yes . .
Pt(2) C(25) 2.023(8) yes . .
Pt(2) C(27) 1.950(8) yes . .
Pt(2) C(28) 2.032(9) yes . .
K(1) O(1) 2.996(11) yes . 4_555
K(1) O(2) 3.023(7) yes . .
K(1) N(6) 2.981(7) yes . .
K(1) N(13) 2.814(8) yes . 3_555
K(1) N(26) 3.157(8) yes . .
K(1) N(28) 2.843(8) yes . 3_555
K(2) O(1) 2.831(8) yes . .
K(2) O(3) 2.703(9) yes . .
K(2) N(6) 2.715(9) yes . 4_554
K(2) N(13) 3.024(9) yes . .
K(2) N(26) 2.974(8) yes . .
K(2) N(28) 2.738(9) yes . 3_555
O(1) C(29) 1.205(17) yes . .
N(6) C(13) 1.162(13) yes . .
N(13) C(27) 1.150(11) yes . .
N(26) C(28) 1.147(11) yes . .
N(28) C(14) 1.163(10) yes . .
N(39) C(15) 1.337(11) yes . .
N(39) C(19) 1.356(9) yes . .
N(40) C(1) 1.355(10) yes . .
N(40) C(5) 1.359(9) yes . .
C(1) C(2) 1.395(14) yes . .
C(2) C(3) 1.372(12) yes . .
C(3) C(4) 1.371(13) yes . .
C(4) C(5) 1.404(12) yes . .
C(5) C(6) 1.463(11) yes . .
C(6) C(7) 1.394(9) yes . .
C(6) C(11) 1.419(11) yes . .
C(7) C(8) 1.392(12) yes . .
C(8) C(9) 1.424(12) yes . .
C(9) C(10) 1.385(10) yes . .
C(9) C(12) 1.491(13) yes . .
C(10) C(11) 1.399(11) yes . .
C(15) C(16) 1.383(11) yes . .
C(16) C(17) 1.382(12) yes . .
C(17) C(18) 1.373(13) yes . .
C(18) C(19) 1.395(10) yes . .
C(19) C(20) 1.467(11) yes . .
C(20) C(21) 1.394(11) yes . .
C(20) C(25) 1.396(9) yes . .
C(21) C(22) 1.355(13) yes . .
C(22) C(23) 1.431(10) yes . .
C(23) C(24) 1.394(11) yes . .
C(23) C(26) 1.503(14) yes . .
C(24) C(25) 1.407(11) yes . .
C(29) C(30) 1.52(2) yes . .
C(29) C(31) 1.457(17) yes . .
C(1) H(1) 0.950 no . .
C(2) H(2) 0.950 no . .
C(3) H(3) 0.950 no . .
C(4) H(4) 0.950 no . .
C(7) H(7) 0.950 no . .
C(8) H(8) 0.950 no . .
C(10) H(10) 0.950 no . .
C(12) H(12A) 0.980 no . .
C(12) H(12B) 0.980 no . .
C(12) H(12C) 0.980 no . .
C(15) H(15) 0.950 no . .
C(16) H(16) 0.950 no . .
C(17) H(17) 0.950 no . .
C(18) H(18) 0.950 no . .
C(21) H(21) 0.950 no . .
C(22) H(22) 0.950 no . .
C(24) H(24) 0.950 no . .
C(26) H(26A) 0.980 no . .
C(26) H(26B) 0.980 no . .
C(26) H(26C) 0.980 no . .
C(30) H(30A) 0.980 no . .
C(30) H(30B) 0.980 no . .
C(30) H(30C) 0.980 no . .
C(31) H(31A) 0.980 no . .
C(31) H(31B) 0.980 no . .
C(31) H(31C) 0.980 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
N(40) Pt(1) C(11) 80.9(3) yes . . .
N(40) Pt(1) C(13) 174.8(3) yes . . .
N(40) Pt(1) C(14) 95.7(3) yes . . .
C(11) Pt(1) C(13) 94.1(3) yes . . .
C(11) Pt(1) C(14) 176.3(3) yes . . .
C(13) Pt(1) C(14) 89.3(3) yes . . .
N(39) Pt(2) C(25) 80.2(3) yes . . .
N(39) Pt(2) C(27) 175.3(3) yes . . .
N(39) Pt(2) C(28) 95.8(3) yes . . .
C(25) Pt(2) C(27) 95.5(3) yes . . .
C(25) Pt(2) C(28) 174.7(3) yes . . .
C(27) Pt(2) C(28) 88.4(3) yes . . .
O(1) K(1) O(2) 62.6(2) yes 4_555 . .
O(1) K(1) N(6) 69.1(2) yes 4_555 . .
O(1) K(1) N(13) 78.9(3) yes 4_555 . 3_555
O(1) K(1) N(26) 119.8(2) yes 4_555 . .
O(1) K(1) N(28) 144.7(2) yes 4_555 . 3_555
O(2) K(1) N(6) 123.1(2) yes . . .
O(2) K(1) N(13) 74.2(2) yes . . 3_555
O(2) K(1) N(26) 100.10(19) yes . . .
O(2) K(1) N(28) 84.5(2) yes . . 3_555
N(6) K(1) N(13) 124.0(2) yes . . 3_555
N(6) K(1) N(26) 79.0(2) yes . . .
N(6) K(1) N(28) 145.6(3) yes . . 3_555
N(13) K(1) N(26) 156.0(2) yes 3_555 . .
N(13) K(1) N(28) 80.2(2) yes 3_555 . 3_555
N(26) K(1) N(28) 76.0(2) yes . . 3_555
O(1) K(2) O(3) 78.6(3) yes . . .
O(1) K(2) N(6) 75.4(2) yes . . 4_554
O(1) K(2) N(13) 158.4(2) yes . . .
O(1) K(2) N(26) 108.3(2) yes . . .
O(1) K(2) N(28) 85.2(3) yes . . 3_555
O(3) K(2) N(6) 90.1(3) yes . . 4_554
O(3) K(2) N(13) 80.1(3) yes . . .
O(3) K(2) N(26) 165.6(3) yes . . .
O(3) K(2) N(28) 87.5(3) yes . . 3_555
N(6) K(2) N(13) 108.1(3) yes 4_554 . .
N(6) K(2) N(26) 103.7(2) yes 4_554 . .
N(6) K(2) N(28) 160.5(2) yes 4_554 . 3_555
N(13) K(2) N(26) 91.8(2) yes . . .
N(13) K(2) N(28) 90.6(2) yes . . 3_555
N(26) K(2) N(28) 80.7(2) yes . . 3_555
K(1) O(1) K(2) 86.8(3) yes 4_554 . .
K(1) O(1) C(29) 141.1(7) yes 4_554 . .
K(2) O(1) C(29) 130.2(8) yes . . .
K(1) N(6) K(2) 89.2(2) yes . . 4_555
K(1) N(6) C(13) 95.3(5) yes . . .
K(2) N(6) C(13) 160.0(7) yes 4_555 . .
K(1) N(13) K(2) 89.8(2) yes 3_555 . .
K(1) N(13) C(27) 128.9(8) yes 3_555 . .
K(2) N(13) C(27) 90.0(6) yes . . .
K(1) N(26) K(2) 94.87(19) yes . . .
K(1) N(26) C(28) 103.9(6) yes . . .
K(2) N(26) C(28) 88.2(6) yes . . .
K(1) N(28) K(2) 108.1(2) yes 3_555 . 3_555
K(1) N(28) C(14) 137.4(8) yes 3_555 . .
K(2) N(28) C(14) 112.3(7) yes 3_555 . .
Pt(2) N(39) C(15) 123.7(5) yes . . .
Pt(2) N(39) C(19) 115.4(5) yes . . .
C(15) N(39) C(19) 120.9(6) yes . . .
Pt(1) N(40) C(1) 124.6(5) yes . . .
Pt(1) N(40) C(5) 115.5(5) yes . . .
C(1) N(40) C(5) 119.9(7) yes . . .
N(40) C(1) C(2) 121.4(7) yes . . .
C(1) C(2) C(3) 117.9(8) yes . . .
C(2) C(3) C(4) 121.9(9) yes . . .
C(3) C(4) C(5) 118.2(7) yes . . .
N(40) C(5) C(4) 120.6(7) yes . . .
N(40) C(5) C(6) 114.2(7) yes . . .
C(4) C(5) C(6) 125.2(6) yes . . .
C(5) C(6) C(7) 123.2(7) yes . . .
C(5) C(6) C(11) 116.1(6) yes . . .
C(7) C(6) C(11) 120.7(7) yes . . .
C(6) C(7) C(8) 121.3(8) yes . . .
C(7) C(8) C(9) 118.6(7) yes . . .
C(8) C(9) C(10) 119.5(7) yes . . .
C(8) C(9) C(12) 119.0(7) yes . . .
C(10) C(9) C(12) 121.5(8) yes . . .
C(9) C(10) C(11) 122.7(8) yes . . .
Pt(1) C(11) C(6) 113.3(5) yes . . .
Pt(1) C(11) C(10) 129.4(6) yes . . .
C(6) C(11) C(10) 117.3(6) yes . . .
Pt(1) C(13) N(6) 178.0(7) yes . . .
Pt(1) C(14) N(28) 178.9(9) yes . . .
N(39) C(15) C(16) 121.2(8) yes . . .
C(15) C(16) C(17) 119.5(9) yes . . .
C(16) C(17) C(18) 118.5(7) yes . . .
C(17) C(18) C(19) 121.0(7) yes . . .
N(39) C(19) C(18) 118.8(7) yes . . .
N(39) C(19) C(20) 114.1(6) yes . . .
C(18) C(19) C(20) 127.0(7) yes . . .
C(19) C(20) C(21) 122.5(6) yes . . .
C(19) C(20) C(25) 115.9(7) yes . . .
C(21) C(20) C(25) 121.6(7) yes . . .
C(20) C(21) C(22) 121.1(7) yes . . .
C(21) C(22) C(23) 119.9(8) yes . . .
C(22) C(23) C(24) 118.0(8) yes . . .
C(22) C(23) C(26) 120.8(7) yes . . .
C(24) C(23) C(26) 121.2(7) yes . . .
C(23) C(24) C(25) 122.6(6) yes . . .
Pt(2) C(25) C(20) 114.0(6) yes . . .
Pt(2) C(25) C(24) 129.1(5) yes . . .
C(20) C(25) C(24) 116.8(7) yes . . .
Pt(2) C(27) N(13) 175.8(8) yes . . .
Pt(2) C(28) N(26) 176.4(8) yes . . .
O(1) C(29) C(30) 122.6(10) yes . . .
O(1) C(29) C(31) 117.7(13) yes . . .
C(30) C(29) C(31) 119.5(13) yes . . .
N(40) C(1) H(1) 119.288 no . . .
C(2) C(1) H(1) 119.285 no . . .
C(1) C(2) H(2) 121.046 no . . .
C(3) C(2) H(2) 121.035 no . . .
C(2) C(3) H(3) 119.063 no . . .
C(4) C(3) H(3) 119.076 no . . .
C(3) C(4) H(4) 120.871 no . . .
C(5) C(4) H(4) 120.885 no . . .
C(6) C(7) H(7) 119.344 no . . .
C(8) C(7) H(7) 119.342 no . . .
C(7) C(8) H(8) 120.722 no . . .
C(9) C(8) H(8) 120.717 no . . .
C(9) C(10) H(10) 118.677 no . . .
C(11) C(10) H(10) 118.670 no . . .
C(9) C(12) H(12A) 109.469 no . . .
C(9) C(12) H(12B) 109.470 no . . .
C(9) C(12) H(12C) 109.481 no . . .
H(12A) C(12) H(12B) 109.465 no . . .
H(12A) C(12) H(12C) 109.471 no . . .
H(12B) C(12) H(12C) 109.472 no . . .
N(39) C(15) H(15) 119.381 no . . .
C(16) C(15) H(15) 119.385 no . . .
C(15) C(16) H(16) 120.278 no . . .
C(17) C(16) H(16) 120.260 no . . .
C(16) C(17) H(17) 120.761 no . . .
C(18) C(17) H(17) 120.778 no . . .
C(17) C(18) H(18) 119.490 no . . .
C(19) C(18) H(18) 119.486 no . . .
C(20) C(21) H(21) 119.453 no . . .
C(22) C(21) H(21) 119.450 no . . .
C(21) C(22) H(22) 120.075 no . . .
C(23) C(22) H(22) 120.069 no . . .
C(23) C(24) H(24) 118.718 no . . .
C(25) C(24) H(24) 118.720 no . . .
C(23) C(26) H(26A) 109.470 no . . .
C(23) C(26) H(26B) 109.469 no . . .
C(23) C(26) H(26C) 109.470 no . . .
H(26A) C(26) H(26B) 109.469 no . . .
H(26A) C(26) H(26C) 109.476 no . . .
H(26B) C(26) H(26C) 109.473 no . . .
C(29) C(30) H(30A) 109.473 no . . .
C(29) C(30) H(30B) 109.468 no . . .
C(29) C(30) H(30C) 109.465 no . . .
H(30A) C(30) H(30B) 109.474 no . . .
H(30A) C(30) H(30C) 109.479 no . . .
H(30B) C(30) H(30C) 109.469 no . . .
C(29) C(31) H(31A) 109.468 no . . .
C(29) C(31) H(31B) 109.476 no . . .
C(29) C(31) H(31C) 109.471 no . . .
H(31A) C(31) H(31B) 109.471 no . . .
H(31A) C(31) H(31C) 109.462 no . . .
H(31B) C(31) H(31C) 109.479 no . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Pt(1) Pt(2) 3.2785(7) no . .
K(1) O(3) 3.110(11) no . 4_555
K(1) N(28) 3.326(9) no . .
K(1) C(14) 3.457(9) no . .
O(2) O(3) 3.019(11) no . 4_555
O(2) C(1) 3.313(9) no . 3_555
O(2) C(2) 3.466(9) no . 3_555
O(3) N(6) 3.390(13) no . 3_555
O(3) N(26) 2.840(14) no . 4_554
O(3) C(13) 3.349(13) no . 3_555
O(3) C(14) 3.562(14) no . 3_555
N(28) N(28) 3.558(11) no . 3_555
N(39) C(11) 3.405(9) no . .
N(39) C(17) 2.756(9) no . .
N(40) C(3) 2.744(13) no . .
N(40) C(24) 3.500(11) no . .
N(40) C(25) 3.334(10) no . .
C(1) C(4) 2.750(10) no . .
C(1) C(14) 3.156(13) no . .
C(1) C(24) 3.375(12) no . .
C(2) C(5) 2.760(12) no . .
C(2) C(24) 3.504(11) no . .
C(3) C(23) 3.522(12) no . .
C(4) C(7) 3.038(12) no . .
C(5) C(20) 3.593(11) no . .
C(5) C(25) 3.516(10) no . .
C(6) C(9) 2.798(11) no . .
C(6) C(20) 3.567(11) no . .
C(7) C(10) 2.772(12) no . .
C(8) C(11) 2.842(10) no . .
C(9) C(17) 3.457(12) no . .
C(10) C(13) 3.157(10) no . .
C(10) C(15) 3.485(11) no . .
C(10) C(16) 3.500(11) no . .
C(11) C(19) 3.514(11) no . .
C(13) C(28) 3.582(12) no . .
C(14) C(27) 3.436(13) no . .
C(15) C(18) 2.717(11) no . .
C(15) C(28) 3.150(10) no . .
C(16) C(19) 2.751(13) no . .
C(16) C(24) 3.356(11) no . 4_555
C(18) C(21) 3.056(13) no . .
C(20) C(23) 2.788(12) no . .
C(21) C(24) 2.762(10) no . .
C(22) C(25) 2.825(11) no . .
C(24) C(27) 3.212(11) no . .
Pt(1) O(2) 3.436(7) no . 2_545
O(2) Pt(1) 3.436(7) no . 2_555
N(6) C(30) 3.567(17) no . 2_545
N(13) C(31) 3.42(2) no . 2_544
C(3) C(8) 3.551(14) no . 4_544
C(8) C(3) 3.551(14) no . 4_545
C(8) C(8) 3.587(13) no . 3_656
C(30) N(6) 3.567(17) no . 2_555
C(31) N(13) 3.42(2) no . 2_554
Pt(1) H(1) 3.1095 no . .
Pt(1) H(10) 3.2195 no . .
Pt(2) H(12B) 3.4293 no . 4_554
Pt(2) H(15) 3.0767 no . .
Pt(2) H(16) 3.2355 no . 4_554
Pt(2) H(24) 3.2259 no . .
O(1) H(30A) 3.1619 no . .
O(1) H(30B) 2.6804 no . .
O(1) H(30C) 2.6804 no . .
O(1) H(31A) 3.0758 no . .
O(1) H(31B) 2.5503 no . .
O(1) H(31C) 2.5503 no . .
O(2) H(1) 2.6174 no . 3_555
O(2) H(2) 2.9524 no . 3_555
O(2) H(30A) 3.5396 no . .
O(2) H(30B) 2.8407 no . .
O(2) H(31C) 3.0237 no . 4_555
O(3) H(30B) 3.2179 no . 4_554
O(3) H(30C) 3.5392 no . 4_554
N(6) H(10) 3.0188 no . .
N(6) H(15) 3.4697 no . .
N(13) H(15) 3.3899 no . 4_554
N(13) H(16) 3.1230 no . 4_554
N(13) H(24) 3.1345 no . .
N(26) H(15) 2.9960 no . .
N(28) H(1) 2.9890 no . .
N(28) H(30B) 3.2923 no . 3_555
N(39) H(12B) 3.2470 no . 4_554
N(39) H(12C) 3.4010 no . 4_554
N(39) H(16) 3.2220 no . .
N(39) H(18) 3.2232 no . .
N(40) H(2) 3.2549 no . .
N(40) H(4) 3.2575 no . .
N(40) H(24) 3.5968 no . .
N(40) H(31C) 3.2102 no . 3_555
C(1) H(3) 3.2307 no . .
C(1) H(24) 3.1579 no . .
C(1) H(30B) 3.3503 no . 3_555
C(1) H(31C) 3.1697 no . 3_555
C(2) H(4) 3.2546 no . .
C(2) H(24) 3.3113 no . .
C(2) H(26B) 3.0053 no . .
C(2) H(31A) 3.4638 no . 3_555
C(2) H(31C) 3.5101 no . 3_555
C(3) H(1) 3.2287 no . .
C(3) H(26B) 2.9840 no . .
C(4) H(2) 3.2554 no . .
C(4) H(7) 2.7407 no . .
C(5) H(1) 3.2037 no . .
C(5) H(3) 3.2414 no . .
C(5) H(7) 2.6902 no . .
C(5) H(31C) 3.5886 no . 3_555
C(6) H(4) 2.7611 no . .
C(6) H(8) 3.2869 no . .
C(6) H(10) 3.2653 no . .
C(7) H(4) 2.7873 no . .
C(8) H(10) 3.2800 no . .
C(8) H(12A) 2.5285 no . .
C(8) H(12B) 3.1449 no . .
C(8) H(12C) 3.1305 no . .
C(9) H(7) 3.2810 no . .
C(10) H(8) 3.2869 no . .
C(10) H(12A) 3.2999 no . .
C(10) H(12B) 2.7597 no . .
C(10) H(12C) 2.7597 no . .
C(11) H(7) 3.2969 no . .
C(12) H(8) 2.6767 no . .
C(12) H(10) 2.6562 no . .
C(12) H(17) 3.4998 no . .
C(13) H(10) 2.6893 no . .
C(13) H(15) 3.3852 no . .
C(14) H(1) 2.6094 no . .
C(15) H(10) 3.3140 no . .
C(15) H(17) 3.2519 no . .
C(16) H(10) 3.3455 no . .
C(16) H(12B) 3.1324 no . .
C(16) H(18) 3.2277 no . .
C(16) H(24) 3.2456 no . 4_555
C(17) H(12B) 3.0321 no . .
C(17) H(15) 3.2435 no . .
C(18) H(16) 3.2307 no . .
C(18) H(21) 2.7603 no . .
C(19) H(12B) 3.1324 no . 4_554
C(19) H(12C) 3.5622 no . 4_554
C(19) H(15) 3.1952 no . .
C(19) H(17) 3.2700 no . .
C(19) H(21) 2.6806 no . .
C(20) H(12B) 3.0843 no . 4_554
C(20) H(18) 2.7682 no . .
C(20) H(22) 3.2516 no . .
C(20) H(24) 3.2462 no . .
C(21) H(18) 2.7975 no . .
C(22) H(17) 3.3577 no . 4_554
C(22) H(24) 3.2806 no . .
C(22) H(26A) 2.5804 no . .
C(22) H(26B) 3.1632 no . .
C(22) H(26C) 3.1824 no . .
C(23) H(16) 3.4818 no . 4_554
C(23) H(17) 3.1148 no . 4_554
C(23) H(21) 3.2719 no . .
C(24) H(16) 2.6270 no . 4_554
C(24) H(17) 3.1947 no . 4_554
C(24) H(22) 3.2834 no . .
C(24) H(26A) 3.3151 no . .
C(24) H(26B) 2.7721 no . .
C(24) H(26C) 2.7720 no . .
C(25) H(12B) 3.2159 no . 4_554
C(25) H(16) 2.8150 no . 4_554
C(25) H(17) 3.4956 no . 4_554
C(25) H(21) 3.2841 no . .
C(26) H(3) 3.5623 no . .
C(26) H(22) 2.7172 no . .
C(26) H(24) 2.6673 no . .
C(27) H(16) 2.7818 no . 4_554
C(27) H(24) 2.7472 no . .
C(28) H(15) 2.5966 no . .
C(29) H(1) 3.4651 no . 3_555
C(30) H(1) 3.2986 no . 3_555
C(30) H(31A) 2.5653 no . .
C(30) H(31B) 3.2268 no . .
C(30) H(31C) 3.1730 no . .
C(31) H(30A) 2.5895 no . .
C(31) H(30B) 3.1681 no . .
C(31) H(30C) 3.2223 no . .
H(1) H(2) 2.3495 no . .
H(1) H(24) 3.2756 no . .
H(1) H(30A) 3.3969 no . 3_555
H(1) H(30B) 2.6751 no . 3_555
H(1) H(31C) 3.4423 no . 3_555
H(2) H(3) 2.3234 no . .
H(2) H(24) 3.5190 no . .
H(2) H(26B) 2.8928 no . .
H(2) H(30A) 3.3268 no . 3_555
H(2) H(31A) 3.5543 no . 3_555
H(3) H(4) 2.3201 no . .
H(3) H(26B) 2.8604 no . .
H(4) H(7) 2.2203 no . .
H(7) H(8) 2.3431 no . .
H(8) H(12A) 2.3281 no . .
H(8) H(12B) 3.3458 no . .
H(8) H(12C) 3.3312 no . .
H(10) H(12A) 3.5861 no . .
H(10) H(12B) 2.6999 no . .
H(10) H(12C) 2.7044 no . .
H(10) H(15) 3.4806 no . .
H(10) H(16) 3.5213 no . .
H(12B) H(16) 2.9995 no . .
H(12B) H(17) 2.8417 no . .
H(15) H(16) 2.3280 no . .
H(16) H(17) 2.3469 no . .
H(16) H(24) 2.4800 no . 4_555
H(17) H(18) 2.3270 no . .
H(17) H(24) 3.5806 no . 4_555
H(17) H(26C) 3.4123 no . 4_555
H(18) H(21) 2.2315 no . .
H(21) H(22) 2.2984 no . .
H(22) H(26A) 2.3868 no . .
H(22) H(26B) 3.3639 no . .
H(22) H(26C) 3.3900 no . .
H(24) H(26A) 3.5972 no . .
H(24) H(26B) 2.7129 no . .
H(24) H(26C) 2.7115 no . .
H(30A) H(31A) 2.2087 no . .
H(30A) H(31B) 3.2763 no . .
H(30A) H(31C) 3.2326 no . .
H(30B) H(31A) 3.2067 no . .
H(30B) H(31C) 3.5339 no . .
H(30C) H(31A) 3.2545 no . .
N(6) H(30A) 3.1001 no . 2_545
N(6) H(30C) 3.2565 no . 2_545
N(13) H(31B) 2.5585 no . 2_544
N(26) H(30C) 3.3756 no . 3_565
C(3) H(12C) 3.5500 no . 4_544
C(3) H(21) 3.2302 no . 2_645
C(4) H(21) 3.5248 no . 2_645
C(4) H(26C) 3.4158 no . 4_545
C(6) H(2) 3.2914 no . 4_545
C(6) H(26B) 3.2894 no . 4_545
C(7) H(2) 3.4395 no . 4_545
C(7) H(3) 3.3818 no . 4_545
C(7) H(8) 2.9440 no . 3_656
C(7) H(18) 3.5249 no . 3_656
C(7) H(26B) 2.9600 no . 4_545
C(8) H(2) 3.3328 no . 4_545
C(8) H(3) 2.7542 no . 4_545
C(8) H(7) 3.1889 no . 3_656
C(8) H(8) 3.0986 no . 3_656
C(8) H(18) 3.3687 no . 3_656
C(8) H(21) 3.2357 no . 3_656
C(8) H(26B) 3.5807 no . 4_545
C(9) H(2) 3.0450 no . 4_545
C(9) H(3) 3.0493 no . 4_545
C(10) H(2) 2.8787 no . 4_545
C(10) H(30A) 3.4687 no . 2_545
C(11) H(2) 3.0439 no . 4_545
C(12) H(3) 3.3762 no . 4_545
C(12) H(22) 3.5756 no . 3_656
C(12) H(31A) 3.5656 no . 2_545
C(13) H(30A) 3.3643 no . 2_545
C(15) H(31A) 3.5305 no . 3_565
C(15) H(31B) 3.1739 no . 3_565
C(16) H(31B) 3.4549 no . 3_565
C(17) H(26A) 3.0018 no . 2_655
C(18) H(8) 3.5198 no . 3_656
C(18) H(26A) 3.1495 no . 2_655
C(21) H(3) 3.3137 no . 2_655
C(21) H(4) 3.4934 no . 2_655
C(21) H(8) 3.2020 no . 3_656
C(21) H(12A) 3.4818 no . 3_656
C(22) H(12A) 3.3279 no . 3_656
C(22) H(26A) 3.5019 no . 3_655
C(22) H(26C) 3.3727 no . 3_655
C(26) H(4) 3.4651 no . 4_544
C(26) H(7) 3.4121 no . 4_544
C(26) H(17) 3.3718 no . 2_645
C(26) H(18) 3.4096 no . 2_645
C(26) H(22) 3.4819 no . 3_655
C(27) H(31B) 3.3951 no . 2_544
C(30) H(30C) 3.3360 no . 3_565
C(31) H(12C) 3.5474 no . 2_555
C(31) H(15) 3.4181 no . 3_565
H(2) C(6) 3.2914 no . 4_544
H(2) C(7) 3.4395 no . 4_544
H(2) C(8) 3.3328 no . 4_544
H(2) C(9) 3.0450 no . 4_544
H(2) C(10) 2.8787 no . 4_544
H(2) C(11) 3.0439 no . 4_544
H(2) H(10) 3.2481 no . 4_544
H(2) H(12C) 3.5067 no . 4_544
H(3) C(7) 3.3818 no . 4_544
H(3) C(8) 2.7542 no . 4_544
H(3) C(9) 3.0493 no . 4_544
H(3) C(12) 3.3762 no . 4_544
H(3) C(21) 3.3137 no . 2_645
H(3) H(8) 2.7236 no . 4_544
H(3) H(12A) 3.2562 no . 4_544
H(3) H(12C) 3.2216 no . 4_544
H(3) H(18) 3.0988 no . 2_645
H(3) H(21) 2.4397 no . 2_645
H(4) C(21) 3.4934 no . 2_645
H(4) C(26) 3.4651 no . 4_545
H(4) H(12A) 3.4748 no . 3_656
H(4) H(21) 3.0744 no . 2_645
H(4) H(26A) 3.4421 no . 4_545
H(4) H(26B) 3.2940 no . 4_545
H(4) H(26C) 3.0918 no . 4_545
H(7) C(8) 3.1889 no . 3_656
H(7) C(26) 3.4121 no . 4_545
H(7) H(8) 2.5403 no . 3_656
H(7) H(12A) 3.3863 no . 3_656
H(7) H(17) 3.5035 no . 3_656
H(7) H(18) 3.0740 no . 3_656
H(7) H(26A) 3.2312 no . 4_545
H(7) H(26B) 2.8474 no . 4_545
H(8) C(7) 2.9440 no . 3_656
H(8) C(8) 3.0986 no . 3_656
H(8) C(18) 3.5198 no . 3_656
H(8) C(21) 3.2020 no . 3_656
H(8) H(3) 2.7236 no . 4_545
H(8) H(7) 2.5403 no . 3_656
H(8) H(8) 2.8533 no . 3_656
H(8) H(18) 2.7749 no . 3_656
H(8) H(21) 2.4714 no . 3_656
H(10) H(2) 3.2481 no . 4_545
H(10) H(30A) 2.8374 no . 2_545
H(12A) C(21) 3.4818 no . 3_656
H(12A) C(22) 3.3279 no . 3_656
H(12A) H(3) 3.2562 no . 4_545
H(12A) H(4) 3.4748 no . 3_656
H(12A) H(7) 3.3863 no . 3_656
H(12A) H(21) 3.0647 no . 3_656
H(12A) H(22) 2.7627 no . 3_656
H(12C) C(3) 3.5500 no . 4_545
H(12C) C(31) 3.5474 no . 2_545
H(12C) H(2) 3.5067 no . 4_545
H(12C) H(3) 3.2216 no . 4_545
H(12C) H(22) 3.5434 no . 3_656
H(12C) H(31A) 2.6206 no . 2_545
H(15) C(31) 3.4181 no . 3_565
H(15) H(31A) 3.2916 no . 3_565
H(15) H(31B) 2.6801 no . 3_565
H(16) H(31B) 3.2297 no . 3_565
H(17) C(26) 3.3718 no . 2_655
H(17) H(7) 3.5035 no . 3_656
H(17) H(26A) 2.4207 no . 2_655
H(18) C(7) 3.5249 no . 3_656
H(18) C(8) 3.3687 no . 3_656
H(18) C(26) 3.4096 no . 2_655
H(18) H(3) 3.0988 no . 2_655
H(18) H(7) 3.0740 no . 3_656
H(18) H(8) 2.7749 no . 3_656
H(18) H(22) 3.5106 no . 2_655
H(18) H(26A) 2.7050 no . 2_655
H(18) H(26B) 3.2921 no . 2_655
H(21) C(3) 3.2302 no . 2_655
H(21) C(4) 3.5248 no . 2_655
H(21) C(8) 3.2357 no . 3_656
H(21) H(3) 2.4397 no . 2_655
H(21) H(4) 3.0744 no . 2_655
H(21) H(8) 2.4714 no . 3_656
H(21) H(12A) 3.0647 no . 3_656
H(22) C(12) 3.5756 no . 3_656
H(22) C(26) 3.4819 no . 3_655
H(22) H(12A) 2.7627 no . 3_656
H(22) H(12C) 3.5434 no . 3_656
H(22) H(18) 3.5106 no . 2_645
H(22) H(26A) 3.3187 no . 3_655
H(22) H(26C) 2.7928 no . 3_655
H(24) H(31B) 3.5227 no . 2_544
H(24) H(31C) 3.5653 no . 2_544
H(26A) C(17) 3.0018 no . 2_645
H(26A) C(18) 3.1495 no . 2_645
H(26A) C(22) 3.5019 no . 3_655
H(26A) H(4) 3.4421 no . 4_544
H(26A) H(7) 3.2312 no . 4_544
H(26A) H(17) 2.4207 no . 2_645
H(26A) H(18) 2.7050 no . 2_645
H(26A) H(22) 3.3187 no . 3_655
H(26A) H(26A) 3.4397 no . 3_655
H(26A) H(26C) 3.4426 no . 3_655
H(26B) C(6) 3.2894 no . 4_544
H(26B) C(7) 2.9600 no . 4_544
H(26B) C(8) 3.5807 no . 4_544
H(26B) H(4) 3.2940 no . 4_544
H(26B) H(7) 2.8474 no . 4_544
H(26B) H(18) 3.2921 no . 2_645
H(26C) C(4) 3.4158 no . 4_544
H(26C) C(22) 3.3727 no . 3_655
H(26C) H(4) 3.0918 no . 4_544
H(26C) H(22) 2.7928 no . 3_655
H(26C) H(26A) 3.4426 no . 3_655
H(30A) N(6) 3.1001 no . 2_555
H(30A) C(10) 3.4687 no . 2_555
H(30A) C(13) 3.3643 no . 2_555
H(30A) H(10) 2.8374 no . 2_555
H(30C) N(6) 3.2565 no . 2_555
H(30C) N(26) 3.3756 no . 3_565
H(30C) C(30) 3.3360 no . 3_565
H(30C) H(30C) 2.4089 no . 3_565
H(31A) C(12) 3.5656 no . 2_555
H(31A) C(15) 3.5305 no . 3_565
H(31A) H(12C) 2.6206 no . 2_555
H(31A) H(15) 3.2916 no . 3_565
H(31B) N(13) 2.5585 no . 2_554
H(31B) C(15) 3.1739 no . 3_565
H(31B) C(16) 3.4549 no . 3_565
H(31B) C(27) 3.3951 no . 2_554
H(31B) H(15) 2.6801 no . 3_565
H(31B) H(16) 3.2297 no . 3_565
H(31B) H(24) 3.5227 no . 2_554
H(31C) H(24) 3.5653 no . 2_554

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

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



# start Validation Reply Form
_vrf_PLAT780_20150409_KPtptpyCN2_2 
;
PROBLEM: Coordinates do not Form a Properly Connected Set Please Do !
RESPONSE: This has an infinite structure linking the potassium ions with 
water molecules, acetone molecules, and cyanide ligands. 
;
# end Validation Reply Form
#==============================================================================
#     End of CIF
#==============================================================================
