# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_kar090
_database_code_depnum_ccdc_archive 'CCDC 1469837'
_audit_update_record             
;
2016-03-21 deposited with the CCDC.
2016-06-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C83 H108 N4 Pt'
_chemical_formula_weight         1356.82

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'
Pt Pt -1.7033 8.3905 '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                   9.5314(19)
_cell_length_b                   14.518(3)
_cell_length_c                   15.621(3)
_cell_angle_alpha                89.65(3)
_cell_angle_beta                 82.60(3)
_cell_angle_gamma                74.32(3)
_cell_volume                     2062.9(8)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    12169
_cell_measurement_theta_min      1.93
_cell_measurement_theta_max      24.52

_exptl_crystal_description       block
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.092
_exptl_crystal_F_000             712
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.28
_exptl_absorpt_coefficient_mu    1.740
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.4817
_exptl_absorpt_correction_T_max  0.6751
_exptl_absorpt_process_details   'STOE X-Area'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine focus sealed tube'
_diffrn_measurement_device_type  'StOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7247
_diffrn_reflns_av_unetI/netI     0.0838
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.934
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_full        24.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             7247
_reflns_number_gt                6728
_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       'STOE- X-Area'
_computing_cell_refinement       'STOE- X-Area'
_computing_data_reduction        'STOE- X-Red'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (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)+(0.0900P)²] 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_number_reflns         7247
_refine_ls_number_parameters     315
_refine_ls_number_restraints     31
_refine_ls_R_factor_all          0.0863
_refine_ls_R_factor_gt           0.0796
_refine_ls_wR_factor_ref         0.1963
_refine_ls_wR_factor_gt          0.1865
_refine_ls_goodness_of_fit_ref   1.384
_refine_ls_restrained_S_all      1.381
_refine_ls_shift/su_max          0.000
_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 0.0000 0.5000 0.5000 0.02981(19) Uani 1 2 d S . P . .
N1 N 0.0157(8) 0.4604(5) 0.3746(4) 0.0332(10) Uani 1 1 d . U . . .
N2 N 0.1763(8) 0.3950(5) 0.5141(5) 0.0391(11) Uani 1 1 d . U . . .
C1 C -0.0747(9) 0.4999(6) 0.3162(5) 0.0334(11) Uani 1 1 d . U . . .
C2 C -0.0318(11) 0.4462(7) 0.2360(7) 0.049(2) Uani 1 1 d . . . . .
H2A H -0.0784 0.4586 0.1868 0.059 Uiso 1 1 calc R U . . .
C3 C 0.0881(11) 0.3748(7) 0.2450(6) 0.048(2) Uani 1 1 d . . . . .
H3A H 0.1412 0.3294 0.2027 0.058 Uiso 1 1 calc R U . . .
C4 C 0.1196(9) 0.3817(6) 0.3331(5) 0.0336(11) Uani 1 1 d . U . . .
C5 C 0.2366(9) 0.3197(6) 0.3665(6) 0.037(2) Uani 1 1 d . . . . .
C6 C 0.2595(10) 0.3267(6) 0.4527(6) 0.0394(12) Uani 1 1 d . U . . .
C7 C 0.3770(11) 0.2597(7) 0.4907(7) 0.047(2) Uani 1 1 d . . . . .
H7A H 0.4473 0.2077 0.4629 0.056 Uiso 1 1 calc R U . . .
C8 C 0.3640(11) 0.2878(7) 0.5736(7) 0.046(2) Uani 1 1 d . . . . .
H8A H 0.4249 0.2585 0.6137 0.056 Uiso 1 1 calc R U . . .
C9 C 0.2413(10) 0.3699(6) 0.5902(6) 0.0389(12) Uani 1 1 d . U . . .
C10 C -0.1983(10) 0.5812(6) 0.3322(6) 0.037(2) Uani 1 1 d . . . . .
C11 C 0.3381(6) 0.2406(4) 0.3088(4) 0.039(2) Uani 1 1 d G . . . .
C12 C 0.2970(6) 0.1573(4) 0.2959(4) 0.043(2) Uani 1 1 d G . . . .
H12A H 0.2081 0.1507 0.3236 0.052 Uiso 1 1 calc R U . . .
C13 C 0.3890(7) 0.0841(4) 0.2417(5) 0.0819(18) Uani 1 1 d G . . . .
C14 C 0.5219(7) 0.0941(4) 0.2003(4) 0.051(3) Uani 1 1 d G . . . .
H14A H 0.5835 0.0451 0.1640 0.061 Uiso 1 1 calc R U . . .
C15 C 0.5630(5) 0.1774(5) 0.2132(4) 0.048(2) Uani 1 1 d G . . . .
C16 C 0.4710(6) 0.2506(4) 0.2674(4) 0.044(2) Uani 1 1 d G . . . .
H16A H 0.4985 0.3063 0.2760 0.052 Uiso 1 1 calc R U . . .
C17 C 0.3458(16) -0.0102(9) 0.2281(10) 0.0819(18) Uani 1 1 d . . . . .
C18 C 0.1950(16) -0.0084(9) 0.2694(10) 0.0819(18) Uani 1 1 d . . . . .
H18A H 0.1760 -0.0686 0.2585 0.123 Uiso 1 1 calc R U . . .
H18B H 0.1878 0.0025 0.3306 0.123 Uiso 1 1 calc R U . . .
H18C H 0.1242 0.0421 0.2459 0.123 Uiso 1 1 calc R U . . .
C19 C 0.3546(16) -0.0315(9) 0.1309(10) 0.0819(18) Uani 1 1 d . . . . .
H19A H 0.3279 -0.0897 0.1228 0.123 Uiso 1 1 calc R U . . .
H19B H 0.2882 0.0203 0.1058 0.123 Uiso 1 1 calc R U . . .
H19C H 0.4531 -0.0384 0.1035 0.123 Uiso 1 1 calc R U . . .
C20 C 0.4557(16) -0.0934(9) 0.2628(10) 0.0819(18) Uani 1 1 d . . . . .
H20A H 0.4288 -0.1515 0.2543 0.123 Uiso 1 1 calc R U . . .
H20B H 0.5521 -0.0990 0.2327 0.123 Uiso 1 1 calc R U . . .
H20C H 0.4557 -0.0824 0.3233 0.123 Uiso 1 1 calc R U . . .
C21 C 0.7102(14) 0.1891(12) 0.1672(10) 0.085(3) Uani 1 1 d . . . . .
C22A C 0.682(2) 0.2696(18) 0.1066(17) 0.085(3) Uani 0.567(14) 1 d D . P A 1
H22A H 0.7738 0.2766 0.0782 0.127 Uiso 0.567(14) 1 calc R U P A 1
H22B H 0.6248 0.2564 0.0643 0.127 Uiso 0.567(14) 1 calc R U P A 1
H22C H 0.6290 0.3277 0.1383 0.127 Uiso 0.567(14) 1 calc R U P A 1
C23A C 0.808(2) 0.0969(18) 0.1193(17) 0.085(3) Uani 0.567(14) 1 d D . P A 1
H23A H 0.8255 0.0456 0.1591 0.127 Uiso 0.567(14) 1 calc R U P A 1
H23B H 0.7597 0.0804 0.0738 0.127 Uiso 0.567(14) 1 calc R U P A 1
H23C H 0.9003 0.1072 0.0951 0.127 Uiso 0.567(14) 1 calc R U P A 1
C24A C 0.805(2) 0.211(2) 0.2365(15) 0.085(3) Uani 0.567(14) 1 d D . P A 1
H24A H 0.8229 0.1587 0.2756 0.127 Uiso 0.567(14) 1 calc R U P A 1
H24B H 0.8965 0.2174 0.2079 0.127 Uiso 0.567(14) 1 calc R U P A 1
H24C H 0.7520 0.2687 0.2681 0.127 Uiso 0.567(14) 1 calc R U P A 1
C22B C 0.740(3) 0.150(3) 0.0710(19) 0.085(3) Uani 0.433(14) 1 d D . P A 2
H22D H 0.6570 0.1803 0.0419 0.127 Uiso 0.433(14) 1 calc R U P A 2
H22E H 0.8263 0.1641 0.0423 0.127 Uiso 0.433(14) 1 calc R U P A 2
H22F H 0.7531 0.0821 0.0702 0.127 Uiso 0.433(14) 1 calc R U P A 2
C23B C 0.831(3) 0.146(2) 0.212(2) 0.085(3) Uani 0.433(14) 1 d D . P A 2
H23D H 0.9196 0.1547 0.1809 0.127 Uiso 0.433(14) 1 calc R U P A 2
H23E H 0.8151 0.1741 0.2688 0.127 Uiso 0.433(14) 1 calc R U P A 2
H23F H 0.8396 0.0782 0.2160 0.127 Uiso 0.433(14) 1 calc R U P A 2
C24B C 0.700(3) 0.302(2) 0.157(2) 0.085(3) Uani 0.433(14) 1 d D . P A 2
H24D H 0.6182 0.3321 0.1268 0.127 Uiso 0.433(14) 1 calc R U P A 2
H24E H 0.6857 0.3326 0.2131 0.127 Uiso 0.433(14) 1 calc R U P A 2
H24F H 0.7890 0.3095 0.1249 0.127 Uiso 0.433(14) 1 calc R U P A 2
C25 C -0.2807(6) 0.6144(5) 0.2568(3) 0.040(2) Uani 1 1 d G . . . .
C26 C -0.4180(6) 0.5986(5) 0.2556(3) 0.043(2) Uani 1 1 d G . . . .
H26A H -0.4598 0.5707 0.3023 0.052 Uiso 1 1 calc R U . . .
C27 C -0.4927(6) 0.6247(5) 0.1846(4) 0.0730(16) Uani 1 1 d G . . . .
C28 C -0.4301(6) 0.6665(5) 0.1148(3) 0.042(2) Uani 1 1 d G . . . .
H28A H -0.4801 0.6839 0.0673 0.051 Uiso 1 1 calc R U . . .
C29 C -0.2929(6) 0.6822(4) 0.1160(3) 0.039(2) Uani 1 1 d G . . . .
C30 C -0.2182(5) 0.6562(5) 0.1870(4) 0.043(2) Uani 1 1 d G . . . .
H30A H -0.1264 0.6668 0.1878 0.051 Uiso 1 1 calc R U . . .
C31 C -0.6466(14) 0.6079(10) 0.1815(9) 0.0730(16) Uani 1 1 d . . . . .
C32 C -0.6446(14) 0.5471(10) 0.1034(9) 0.0730(16) Uani 1 1 d . . . . .
H32A H -0.7402 0.5375 0.1025 0.109 Uiso 1 1 calc R U . . .
H32B H -0.6186 0.5788 0.0520 0.109 Uiso 1 1 calc R U . . .
H32C H -0.5736 0.4863 0.1057 0.109 Uiso 1 1 calc R U . . .
C33 C -0.7591(14) 0.7047(9) 0.1750(9) 0.0730(16) Uani 1 1 d . . . . .
H33A H -0.8543 0.6950 0.1730 0.109 Uiso 1 1 calc R U . . .
H33B H -0.7625 0.7446 0.2244 0.109 Uiso 1 1 calc R U . . .
H33C H -0.7308 0.7352 0.1234 0.109 Uiso 1 1 calc R U . . .
C34 C -0.7003(14) 0.5590(10) 0.2612(9) 0.0730(16) Uani 1 1 d . . . . .
H34A H -0.7953 0.5507 0.2555 0.109 Uiso 1 1 calc R U . . .
H34B H -0.6322 0.4976 0.2663 0.109 Uiso 1 1 calc R U . . .
H34C H -0.7073 0.5979 0.3118 0.109 Uiso 1 1 calc R U . . .
C35 C -0.2158(11) 0.7253(7) 0.0372(6) 0.046(2) Uani 1 1 d . . . . .
C36 C -0.1659(16) 0.8110(9) 0.0679(8) 0.073(4) Uani 1 1 d . . . . .
H36A H -0.2502 0.8602 0.0931 0.110 Uiso 1 1 calc R U . . .
H36B H -0.1002 0.7902 0.1103 0.110 Uiso 1 1 calc R U . . .
H36C H -0.1162 0.8358 0.0196 0.110 Uiso 1 1 calc R U . . .
C37 C -0.0802(13) 0.6473(10) -0.0029(8) 0.071(3) Uani 1 1 d . . . . .
H37A H -0.1104 0.5939 -0.0221 0.106 Uiso 1 1 calc R U . . .
H37B H -0.0307 0.6725 -0.0511 0.106 Uiso 1 1 calc R U . . .
H37C H -0.0147 0.6268 0.0396 0.106 Uiso 1 1 calc R U . . .
C38 C -0.3151(13) 0.7593(9) -0.0321(7) 0.062(3) Uani 1 1 d . . . . .
H38A H -0.3471 0.7068 -0.0519 0.093 Uiso 1 1 calc R U . . .
H38B H -0.3991 0.8095 -0.0084 0.093 Uiso 1 1 calc R U . . .
H38C H -0.2617 0.7829 -0.0796 0.093 Uiso 1 1 calc R U . . .
C1S C 0.672(3) 0.377(2) 0.4453(19) 0.080(7) Uiso 0.5 1 d . . P . .
H1S1 H 0.5899 0.4175 0.4813 0.120 Uiso 0.5 1 calc R U P . .
H1S2 H 0.7280 0.4151 0.4140 0.120 Uiso 0.5 1 calc R U P . .
H1S3 H 0.6374 0.3410 0.4052 0.120 Uiso 0.5 1 calc R U P . .
C2S C 0.760(4) 0.315(3) 0.496(3) 0.116(12) Uiso 0.5 1 d . . P . .
H2S1 H 0.7776 0.3589 0.5366 0.139 Uiso 0.5 1 calc R U P . .
H2S2 H 0.6889 0.2864 0.5281 0.139 Uiso 0.5 1 calc R U P . .
C3S C 0.872(3) 0.250(2) 0.4922(19) 0.079(7) Uiso 0.5 1 d . . P . .
H3S1 H 0.9426 0.2757 0.4569 0.095 Uiso 0.5 1 calc R U P . .
H3S2 H 0.8524 0.2027 0.4547 0.095 Uiso 0.5 1 calc R U P . .
C4S C 0.964(4) 0.188(3) 0.552(2) 0.102(10) Uiso 0.5 1 d . . P . .
H4S1 H 0.9776 0.2343 0.5924 0.122 Uiso 0.5 1 calc R U P . .
H4S2 H 0.8962 0.1573 0.5839 0.122 Uiso 0.5 1 calc R U P . .
C5S C 1.080(3) 0.127(2) 0.546(2) 0.087(8) Uiso 0.5 1 d . . P . .
H5S1 H 1.1473 0.1559 0.5112 0.105 Uiso 0.5 1 calc R U P . .
H5S2 H 1.0649 0.0783 0.5082 0.105 Uiso 0.5 1 calc R U P . .
C6S C 1.168(4) 0.072(2) 0.606(2) 0.101(10) Uiso 0.5 1 d . . P . .
H6S1 H 1.1946 0.1170 0.6415 0.121 Uiso 0.5 1 calc R U P . .
H6S2 H 1.1050 0.0419 0.6429 0.121 Uiso 0.5 1 calc R U P . .
C7S C 1.289(5) 0.005(3) 0.580(3) 0.131(14) Uiso 0.5 1 d . . P . .
H7S1 H 1.3316 -0.0231 0.6301 0.197 Uiso 0.5 1 calc R U P . .
H7S2 H 1.2668 -0.0433 0.5471 0.197 Uiso 0.5 1 calc R U P . .
H7S3 H 1.3571 0.0325 0.5457 0.197 Uiso 0.5 1 calc R U P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N2 1.975(8) . ?
Pt1 N2 1.976(8) 2_566 ?
Pt1 N1 2.021(7) . ?
Pt1 N1 2.021(7) 2_566 ?
N1 C4 1.392(11) . ?
N1 C1 1.354(11) . ?
N2 C6 1.386(12) . ?
N2 C9 1.412(12) . ?
C1 C10 1.421(12) . ?
C1 C2 1.432(13) . ?
C2 C3 1.341(14) . ?
C2 H2A 0.9300 . ?
C3 C4 1.456(12) . ?
C3 H3A 0.9300 . ?
C4 C5 1.389(12) . ?
C5 C6 1.401(13) . ?
C5 C11 1.502(9) . ?
C6 C7 1.459(14) . ?
C7 C8 1.340(14) . ?
C7 H7A 0.9300 . ?
C8 C9 1.424(13) . ?
C8 H8A 0.9300 . ?
C9 C10 1.367(13) 2_566 ?
C10 C9 1.367(13) 2_566 ?
C10 C25 1.504(10) . ?
C11 C12 1.3900 . ?
C11 C16 1.3900 . ?
C12 C13 1.3900 . ?
C12 H12A 0.9300 . ?
C13 C14 1.3900 . ?
C13 C17 1.556(13) . ?
C14 C15 1.3900 . ?
C14 H14A 0.9300 . ?
C15 C16 1.3900 . ?
C15 C21 1.544(13) . ?
C16 H16A 0.9300 . ?
C17 C18 1.491(19) . ?
C17 C19 1.54(2) . ?
C17 C20 1.52(2) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C23B 1.42(3) . ?
C21 C22A 1.49(3) . ?
C21 C22B 1.57(3) . ?
C21 C23A 1.54(3) . ?
C21 C24A 1.58(3) . ?
C21 C24B 1.63(3) . ?
C22A H22A 0.9600 . ?
C22A H22B 0.9600 . ?
C22A H22C 0.9600 . ?
C23A H23A 0.9600 . ?
C23A H23B 0.9600 . ?
C23A H23C 0.9600 . ?
C24A H24A 0.9600 . ?
C24A H24B 0.9600 . ?
C24A H24C 0.9600 . ?
C22B H22D 0.9600 . ?
C22B H22E 0.9600 . ?
C22B H22F 0.9600 . ?
C23B H23D 0.9600 . ?
C23B H23E 0.9600 . ?
C23B H23F 0.9600 . ?
C24B H24D 0.9600 . ?
C24B H24E 0.9600 . ?
C24B H24F 0.9600 . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C26 C27 1.3900 . ?
C26 H26A 0.9300 . ?
C27 C28 1.3900 . ?
C27 C31 1.557(13) . ?
C28 C29 1.3900 . ?
C28 H28A 0.9300 . ?
C29 C30 1.3900 . ?
C29 C35 1.566(10) . ?
C30 H30A 0.9300 . ?
C31 C32 1.506(18) . ?
C31 C34 1.529(19) . ?
C31 C33 1.532(18) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 C36 1.546(16) . ?
C35 C37 1.534(15) . ?
C35 C38 1.520(14) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C1S C2S 1.37(4) . ?
C1S H1S1 0.9600 . ?
C1S H1S2 0.9600 . ?
C1S H1S3 0.9600 . ?
C2S C3S 1.22(4) . ?
C2S H2S1 0.9700 . ?
C2S H2S2 0.9700 . ?
C3S C4S 1.49(4) . ?
C3S H3S1 0.9700 . ?
C3S H3S2 0.9700 . ?
C4S C5S 1.21(4) . ?
C4S H4S1 0.9700 . ?
C4S H4S2 0.9700 . ?
C5S C6S 1.43(4) . ?
C5S H5S1 0.9700 . ?
C5S H5S2 0.9700 . ?
C6S C7S 1.30(5) . ?
C6S H6S1 0.9700 . ?
C6S H6S2 0.9700 . ?
C7S H7S1 0.9600 . ?
C7S H7S2 0.9600 . ?
C7S H7S3 0.9600 . ?

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
N2 Pt1 N2 180.0 . 2_566 ?
N2 Pt1 N1 90.4(3) . . ?
N2 Pt1 N1 89.6(3) 2_566 . ?
N2 Pt1 N1 89.6(3) . 2_566 ?
N2 Pt1 N1 90.4(3) 2_566 2_566 ?
N1 Pt1 N1 180.0(4) . 2_566 ?
C4 N1 C1 106.6(7) . . ?
C4 N1 Pt1 125.4(6) . . ?
C1 N1 Pt1 127.9(6) . . ?
C6 N2 C9 104.5(7) . . ?
C6 N2 Pt1 127.8(6) . . ?
C9 N2 Pt1 127.6(6) . . ?
C10 C1 N1 125.3(8) . . ?
C10 C1 C2 124.2(8) . . ?
N1 C1 C2 110.5(8) . . ?
C3 C2 C1 107.5(9) . . ?
C3 C2 H2A 126.3 . . ?
C1 C2 H2A 126.3 . . ?
C2 C3 C4 107.2(8) . . ?
C2 C3 H3A 126.4 . . ?
C4 C3 H3A 126.4 . . ?
C5 C4 N1 127.7(8) . . ?
C5 C4 C3 124.0(8) . . ?
N1 C4 C3 108.2(8) . . ?
C4 C5 C6 122.1(8) . . ?
C4 C5 C11 118.6(8) . . ?
C6 C5 C11 119.3(8) . . ?
N2 C6 C5 126.5(9) . . ?
N2 C6 C7 110.2(8) . . ?
C5 C6 C7 123.3(9) . . ?
C8 C7 C6 106.7(8) . . ?
C8 C7 H7A 126.7 . . ?
C6 C7 H7A 126.7 . . ?
C7 C8 C9 108.6(9) . . ?
C7 C8 H8A 125.7 . . ?
C9 C8 H8A 125.7 . . ?
N2 C9 C10 125.7(8) . 2_566 ?
N2 C9 C8 110.0(8) . . ?
C10 C9 C8 124.3(9) 2_566 . ?
C1 C10 C9 123.8(8) . 2_566 ?
C1 C10 C25 116.1(7) . . ?
C9 C10 C25 120.1(8) 2_566 . ?
C12 C11 C16 120.0 . . ?
C12 C11 C5 119.4(5) . . ?
C16 C11 C5 120.6(5) . . ?
C11 C12 C13 120.0 . . ?
C11 C12 H12A 120.0 . . ?
C13 C12 H12A 120.0 . . ?
C12 C13 C14 120.0 . . ?
C12 C13 C17 120.5(7) . . ?
C14 C13 C17 119.5(7) . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14A 120.0 . . ?
C13 C14 H14A 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 C21 120.3(7) . . ?
C16 C15 C21 119.7(7) . . ?
C15 C16 C11 120.0 . . ?
C15 C16 H16A 120.0 . . ?
C11 C16 H16A 120.0 . . ?
C13 C17 C18 114.1(10) . . ?
C13 C17 C19 109.7(11) . . ?
C18 C17 C19 107.8(12) . . ?
C13 C17 C20 109.7(11) . . ?
C18 C17 C20 108.8(12) . . ?
C19 C17 C20 106.6(11) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C23B C21 C15 112.6(16) . . ?
C22A C21 C15 109.8(13) . . ?
C23B C21 C22B 110.6(18) . . ?
C15 C21 C22B 111.1(14) . . ?
C22A C21 C23A 110.4(16) . . ?
C15 C21 C23A 113.2(13) . . ?
C22A C21 C24A 109.5(17) . . ?
C15 C21 C24A 109.5(13) . . ?
C23A C21 C24A 104.3(15) . . ?
C23B C21 C24B 109.3(18) . . ?
C15 C21 C24B 109.7(13) . . ?
C22B C21 C24B 103.1(19) . . ?
C21 C22A H22A 109.5 . . ?
C21 C22A H22B 109.5 . . ?
H22A C22A H22B 109.5 . . ?
C21 C22A H22C 109.5 . . ?
H22A C22A H22C 109.5 . . ?
H22B C22A H22C 109.5 . . ?
C21 C23A H23A 109.5 . . ?
C21 C23A H23B 109.5 . . ?
H23A C23A H23B 109.5 . . ?
C21 C23A H23C 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C21 C24A H24A 109.5 . . ?
C21 C24A H24B 109.5 . . ?
H24A C24A H24B 109.5 . . ?
C21 C24A H24C 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C21 C22B H22D 109.5 . . ?
C21 C22B H22E 109.5 . . ?
H22D C22B H22E 109.5 . . ?
C21 C22B H22F 109.5 . . ?
H22D C22B H22F 109.5 . . ?
H22E C22B H22F 109.5 . . ?
C21 C23B H23D 109.5 . . ?
C21 C23B H23E 109.5 . . ?
H23D C23B H23E 109.5 . . ?
C21 C23B H23F 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C21 C24B H24D 109.5 . . ?
C21 C24B H24E 109.5 . . ?
H24D C24B H24E 109.5 . . ?
C21 C24B H24F 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C26 C25 C30 120.0 . . ?
C26 C25 C10 119.2(5) . . ?
C30 C25 C10 120.8(5) . . ?
C25 C26 C27 120.0 . . ?
C25 C26 H26A 120.0 . . ?
C27 C26 H26A 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 C31 118.9(6) . . ?
C26 C27 C31 121.1(6) . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H28A 120.0 . . ?
C29 C28 H28A 120.0 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 C35 118.4(5) . . ?
C28 C29 C35 121.6(5) . . ?
C29 C30 C25 120.0 . . ?
C29 C30 H30A 120.0 . . ?
C25 C30 H30A 120.0 . . ?
C27 C31 C32 110.6(10) . . ?
C27 C31 C34 113.4(10) . . ?
C32 C31 C34 107.7(11) . . ?
C27 C31 C33 108.9(9) . . ?
C32 C31 C33 108.1(11) . . ?
C34 C31 C33 107.9(11) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 C37 109.0(10) . . ?
C36 C35 C29 109.9(8) . . ?
C37 C35 C29 108.1(8) . . ?
C36 C35 C38 108.5(9) . . ?
C37 C35 C38 108.5(9) . . ?
C29 C35 C38 112.8(8) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C2S C1S H1S1 109.5 . . ?
C2S C1S H1S2 109.5 . . ?
H1S1 C1S H1S2 109.5 . . ?
C2S C1S H1S3 109.5 . . ?
H1S1 C1S H1S3 109.5 . . ?
H1S2 C1S H1S3 109.5 . . ?
C3S C2S C1S 143(4) . . ?
C3S C2S H2S1 101.3 . . ?
C1S C2S H2S1 101.3 . . ?
C3S C2S H2S2 101.3 . . ?
C1S C2S H2S2 101.3 . . ?
H2S1 C2S H2S2 104.6 . . ?
C2S C3S C4S 139(3) . . ?
C2S C3S H3S1 102.3 . . ?
C4S C3S H3S1 102.3 . . ?
C2S C3S H3S2 102.3 . . ?
C4S C3S H3S2 102.3 . . ?
H3S1 C3S H3S2 104.9 . . ?
C5S C4S C3S 137(4) . . ?
C5S C4S H4S1 102.9 . . ?
C3S C4S H4S1 102.9 . . ?
C5S C4S H4S2 102.9 . . ?
C3S C4S H4S2 102.9 . . ?
H4S1 C4S H4S2 105.1 . . ?
C4S C5S C6S 135(3) . . ?
C4S C5S H5S1 103.3 . . ?
C6S C5S H5S1 103.3 . . ?
C4S C5S H5S2 103.3 . . ?
C6S C5S H5S2 103.3 . . ?
H5S1 C5S H5S2 105.2 . . ?
C7S C6S C5S 122(4) . . ?
C7S C6S H6S1 106.7 . . ?
C5S C6S H6S1 106.7 . . ?
C7S C6S H6S2 106.7 . . ?
C5S C6S H6S2 106.7 . . ?
H6S1 C6S H6S2 106.6 . . ?
C6S C7S H7S1 109.5 . . ?
C6S C7S H7S2 109.5 . . ?
H7S1 C7S H7S2 109.5 . . ?
C6S C7S H7S3 109.5 . . ?
H7S1 C7S H7S3 109.5 . . ?
H7S2 C7S H7S3 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C4 N1 C1 C10 178.8(8) . . . . ?
Pt1 N1 C1 C10 2.4(13) . . . . ?
C4 N1 C1 C2 0.9(10) . . . . ?
Pt1 N1 C1 C2 -175.6(6) . . . . ?
C10 C1 C2 C3 -179.6(9) . . . . ?
N1 C1 C2 C3 -1.6(11) . . . . ?
C1 C2 C3 C4 1.5(11) . . . . ?
C1 N1 C4 C5 178.8(9) . . . . ?
Pt1 N1 C4 C5 -4.6(13) . . . . ?
C1 N1 C4 C3 0.1(10) . . . . ?
Pt1 N1 C4 C3 176.6(6) . . . . ?
C2 C3 C4 C5 -179.8(9) . . . . ?
C2 C3 C4 N1 -1.1(11) . . . . ?
N1 C4 C5 C6 4.0(15) . . . . ?
C3 C4 C5 C6 -177.5(9) . . . . ?
N1 C4 C5 C11 -178.3(7) . . . . ?
C3 C4 C5 C11 0.2(13) . . . . ?
C9 N2 C6 C5 178.7(9) . . . . ?
Pt1 N2 C6 C5 1.5(13) . . . . ?
C9 N2 C6 C7 -0.5(10) . . . . ?
Pt1 N2 C6 C7 -177.7(6) . . . . ?
C4 C5 C6 N2 -2.3(15) . . . . ?
C11 C5 C6 N2 -180.0(8) . . . . ?
C4 C5 C6 C7 176.8(9) . . . . ?
C11 C5 C6 C7 -0.9(13) . . . . ?
N2 C6 C7 C8 0.0(11) . . . . ?
C5 C6 C7 C8 -179.2(9) . . . . ?
C6 C7 C8 C9 0.5(11) . . . . ?
C6 N2 C9 C10 178.2(9) . . . 2_566 ?
Pt1 N2 C9 C10 -4.6(13) . . . 2_566 ?
C6 N2 C9 C8 0.8(10) . . . . ?
Pt1 N2 C9 C8 178.0(6) . . . . ?
C7 C8 C9 N2 -0.9(11) . . . . ?
C7 C8 C9 C10 -178.3(9) . . . 2_566 ?
N1 C1 C10 C9 0.0(14) . . . 2_566 ?
C2 C1 C10 C9 177.7(9) . . . 2_566 ?
N1 C1 C10 C25 178.3(7) . . . . ?
C2 C1 C10 C25 -4.0(12) . . . . ?
C4 C5 C11 C12 -80.9(9) . . . . ?
C6 C5 C11 C12 96.9(8) . . . . ?
C4 C5 C11 C16 98.2(8) . . . . ?
C6 C5 C11 C16 -84.1(9) . . . . ?
C16 C11 C12 C13 0.0 . . . . ?
C5 C11 C12 C13 179.1(7) . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C11 C12 C13 C17 178.8(10) . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C17 C13 C14 C15 -178.8(9) . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C13 C14 C15 C21 -179.8(9) . . . . ?
C14 C15 C16 C11 0.0 . . . . ?
C21 C15 C16 C11 179.8(9) . . . . ?
C12 C11 C16 C15 0.0 . . . . ?
C5 C11 C16 C15 -179.1(7) . . . . ?
C12 C13 C17 C18 6.5(16) . . . . ?
C14 C13 C17 C18 -174.7(10) . . . . ?
C12 C13 C17 C19 127.5(9) . . . . ?
C14 C13 C17 C19 -53.7(13) . . . . ?
C12 C13 C17 C20 -115.8(10) . . . . ?
C14 C13 C17 C20 63.0(13) . . . . ?
C14 C15 C21 C23B -83.4(19) . . . . ?
C16 C15 C21 C23B 96.8(19) . . . . ?
C14 C15 C21 C22A 116.0(14) . . . . ?
C16 C15 C21 C22A -63.8(16) . . . . ?
C14 C15 C21 C22B 41.2(19) . . . . ?
C16 C15 C21 C22B -138.5(16) . . . . ?
C14 C15 C21 C23A -7.8(18) . . . . ?
C16 C15 C21 C23A 172.4(13) . . . . ?
C14 C15 C21 C24A -123.7(14) . . . . ?
C16 C15 C21 C24A 56.5(17) . . . . ?
C14 C15 C21 C24B 154.6(15) . . . . ?
C16 C15 C21 C24B -25.2(18) . . . . ?
C1 C10 C25 C26 107.2(7) . . . . ?
C9 C10 C25 C26 -74.4(9) 2_566 . . . ?
C1 C10 C25 C30 -69.7(8) . . . . ?
C9 C10 C25 C30 108.6(8) 2_566 . . . ?
C30 C25 C26 C27 0.0 . . . . ?
C10 C25 C26 C27 -176.9(6) . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C25 C26 C27 C31 -180.0(9) . . . . ?
C26 C27 C28 C29 0.0 . . . . ?
C31 C27 C28 C29 180.0(8) . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C27 C28 C29 C35 177.5(7) . . . . ?
C28 C29 C30 C25 0.0 . . . . ?
C35 C29 C30 C25 -177.6(7) . . . . ?
C26 C25 C30 C29 0.0 . . . . ?
C10 C25 C30 C29 176.9(7) . . . . ?
C28 C27 C31 C32 57.2(12) . . . . ?
C26 C27 C31 C32 -122.8(9) . . . . ?
C28 C27 C31 C34 178.4(8) . . . . ?
C26 C27 C31 C34 -1.6(14) . . . . ?
C28 C27 C31 C33 -61.4(12) . . . . ?
C26 C27 C31 C33 118.5(9) . . . . ?
C30 C29 C35 C36 -53.4(10) . . . . ?
C28 C29 C35 C36 129.1(8) . . . . ?
C30 C29 C35 C37 65.5(9) . . . . ?
C28 C29 C35 C37 -112.1(8) . . . . ?
C30 C29 C35 C38 -174.6(7) . . . . ?
C28 C29 C35 C38 7.9(11) . . . . ?
C1S C2S C3S C4S 176(4) . . . . ?
C2S C3S C4S C5S -175(5) . . . . ?
C3S C4S C5S C6S 177(4) . . . . ?
C4S C5S C6S C7S 177(5) . . . . ?

_refine_diff_density_max         3.526
_refine_diff_density_min         -4.704
_refine_diff_density_rms         0.204


_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_solvent_exptl_crystal_recrystallization_method Chloroform-Heptane
