#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:40:30 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179072 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/34/4303466.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4303466
loop_
_publ_author_name
'Jun Ni'
'Yu-Hui Wu'
'Xu Zhang'
'Bin Li'
'Li-Yi Zhang'
'Zhong-Ning Chen'
_publ_section_title
;
Luminescence Vapochromism of a Platinum(II) Complex for Detection of Low
Molecular Weight Halohydrocarbon
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10202
_journal_page_last               10210
_journal_paper_doi               10.1021/ic9011982
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C37 H36 Cl N2 Pt Si2'
_chemical_formula_weight         795.40
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.875(3)
_cell_angle_beta                 93.415(2)
_cell_angle_gamma                97.369(4)
_cell_formula_units_Z            2
_cell_length_a                   7.1384(17)
_cell_length_b                   13.892(3)
_cell_length_c                   19.167(5)
_cell_measurement_reflns_used    5573
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4778
_cell_measurement_theta_min      2.1657
_cell_volume                     1794.5(7)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Mercury CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0529
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12498
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    4.078
_exptl_absorpt_correction_T_max  0.440
_exptl_absorpt_correction_T_min  0.305
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker(2000)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             790
_exptl_crystal_size_max          0.3000
_exptl_crystal_size_mid          0.2500
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         1.446
_refine_diff_density_min         -1.812
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         6226
_refine_ls_number_restraints     150
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0530P)²+0.3528P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1035
_refine_ls_wR_factor_ref         0.1061
_reflns_number_gt                5860
_reflns_number_total             6226
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9011982_si_001_3.cif
_cod_data_source_block           1_0.5CH2ClCH2Cl
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1794.5(8)
_cod_database_code               4303466
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.77912(3) 0.091402(15) 0.046513(11) 0.04295(10) Uani 1 1 d . . .
Si1 Si 0.4902(4) -0.3812(2) -0.33652(12) 0.0881(7) Uani 1 1 d D . .
Si2 Si 0.9796(4) 0.2171(2) 0.50382(11) 0.0850(7) Uani 1 1 d D . .
N1 N 0.7484(7) -0.0644(4) -0.0016(2) 0.0427(10) Uani 1 1 d . A .
N2 N 0.8379(7) 0.0426(4) 0.1365(3) 0.0450(11) Uani 1 1 d . . .
C01 C 0.0573(12) 0.5503(6) 0.0208(5) 0.090(3) Uani 1 1 d . . .
H01A H 0.0050 0.5777 0.0668 0.108 Uiso 1 1 calc R . .
H01B H 0.0505 0.5977 -0.0074 0.108 Uiso 1 1 calc R . .
Cl1 Cl 0.2965(4) 0.5369(2) 0.03858(16) 0.1071(8) Uani 1 1 d . . .
C1 C 0.2366(14) -0.3715(15) -0.3448(12) 0.099(5) Uani 0.560(14) 1 d PDU A 1
H1A H 0.2213 -0.3028 -0.3417 0.148 Uiso 0.560(14) 1 calc PR A 1
H1B H 0.1779 -0.3903 -0.3059 0.148 Uiso 0.560(14) 1 calc PR A 1
H1C H 0.1777 -0.4164 -0.3912 0.148 Uiso 0.560(14) 1 calc PR A 1
C2 C 0.504(3) -0.5166(8) -0.3438(11) 0.115(6) Uani 0.560(14) 1 d PDU A 1
H2A H 0.4693 -0.5300 -0.2995 0.173 Uiso 0.560(14) 1 calc PR A 1
H2B H 0.6317 -0.5296 -0.3511 0.173 Uiso 0.560(14) 1 calc PR A 1
H2C H 0.4191 -0.5602 -0.3846 0.173 Uiso 0.560(14) 1 calc PR A 1
C3 C 0.629(3) -0.3459(17) -0.4036(10) 0.151(8) Uani 0.560(14) 1 d PDU A 1
H3A H 0.6226 -0.2761 -0.4004 0.227 Uiso 0.560(14) 1 calc PR A 1
H3B H 0.5788 -0.3887 -0.4518 0.227 Uiso 0.560(14) 1 calc PR A 1
H3C H 0.7585 -0.3541 -0.3942 0.227 Uiso 0.560(14) 1 calc PR A 1
C1' C 0.2328(15) -0.416(2) -0.3408(17) 0.113(7) Uani 0.440(14) 1 d PDU A 2
H1'A H 0.1729 -0.3570 -0.3383 0.169 Uiso 0.440(14) 1 calc PR A 2
H1'B H 0.2028 -0.4406 -0.3004 0.169 Uiso 0.440(14) 1 calc PR A 2
H1'C H 0.1878 -0.4678 -0.3861 0.169 Uiso 0.440(14) 1 calc PR A 2
C2' C 0.627(4) -0.4818(17) -0.3753(15) 0.135(8) Uani 0.440(14) 1 d PDU A 2
H2'A H 0.7270 -0.4564 -0.3998 0.203 Uiso 0.440(14) 1 calc PR A 2
H2'B H 0.5459 -0.5379 -0.4098 0.203 Uiso 0.440(14) 1 calc PR A 2
H2'C H 0.6817 -0.5042 -0.3368 0.203 Uiso 0.440(14) 1 calc PR A 2
C3' C 0.5261(6) -0.2863(3) -0.3869(2) 0.138(9) Uani 0.440(14) 1 d PDU A 2
H3'A H 0.4983 -0.2221 -0.3573 0.206 Uiso 0.440(14) 1 calc PR A 2
H3'B H 0.4431 -0.3089 -0.4317 0.206 Uiso 0.440(14) 1 calc PR A 2
H3'C H 0.6556 -0.2785 -0.3979 0.206 Uiso 0.440(14) 1 calc PR A 2
C4 C 0.5849(6) -0.3090(3) -0.2411(2) 0.078(2) Uani 1 1 d R A .
C5 C 0.6342(6) -0.2625(3) -0.1783(2) 0.0656(18) Uani 1 1 d R . .
C6 C 0.6988(6) -0.1131(3) -0.0735(2) 0.0502(14) Uani 1 1 d R . .
H6A H 0.6755 -0.0750 -0.1049 0.060 Uiso 1 1 calc R . .
C7 C 0.6816(9) -0.2178(5) -0.1019(4) 0.0562(15) Uani 1 1 d . A .
C8 C 0.7173(11) -0.2729(5) -0.0550(4) 0.0619(17) Uani 1 1 d . . .
H8A H 0.7099 -0.3433 -0.0726 0.074 Uiso 1 1 calc R A .
C9 C 0.7644(9) -0.2226(5) 0.0187(4) 0.0580(15) Uani 1 1 d . A .
H9A H 0.7850 -0.2594 0.0512 0.070 Uiso 1 1 calc R . .
C10 C 0.7808(8) -0.1192(4) 0.0441(3) 0.0447(12) Uani 1 1 d . . .
C11 C 0.8341(8) -0.0596(4) 0.1210(3) 0.0440(12) Uani 1 1 d . A .
C12 C 0.8789(9) -0.1013(5) 0.1759(3) 0.0562(15) Uani 1 1 d . . .
H12A H 0.8810 -0.1709 0.1644 0.067 Uiso 1 1 calc R A .
C13 C 0.9197(10) -0.0422(5) 0.2461(4) 0.0608(16) Uani 1 1 d . A .
H13A H 0.9494 -0.0708 0.2828 0.073 Uiso 1 1 calc R . .
C14 C 0.9169(9) 0.0618(5) 0.2630(3) 0.0551(15) Uani 1 1 d . . .
C15 C 0.8778(9) 0.1014(5) 0.2076(3) 0.0515(14) Uani 1 1 d . A .
H15A H 0.8783 0.1712 0.2187 0.062 Uiso 1 1 calc R . .
C16 C 0.9460(10) 0.1232(5) 0.3402(4) 0.0651(18) Uani 1 1 d . A .
C17 C 0.9662(12) 0.1639(6) 0.4041(4) 0.071(2) Uani 1 1 d . A .
C18 C 1.016(4) 0.3561(7) 0.5299(13) 0.107(6) Uani 0.52(3) 1 d PDU B 1
H18A H 1.0226 0.3833 0.5822 0.161 Uiso 0.52(3) 1 calc PR B 1
H18B H 0.9116 0.3782 0.5078 0.161 Uiso 0.52(3) 1 calc PR B 1
H18C H 1.1320 0.3798 0.5132 0.161 Uiso 0.52(3) 1 calc PR B 1
C19 C 0.748(2) 0.175(2) 0.5308(14) 0.142(9) Uani 0.52(3) 1 d PDU B 1
H19A H 0.7496 0.2010 0.5831 0.212 Uiso 0.52(3) 1 calc PR B 1
H19B H 0.7229 0.1024 0.5157 0.212 Uiso 0.52(3) 1 calc PR B 1
H19C H 0.6510 0.2012 0.5078 0.212 Uiso 0.52(3) 1 calc PR B 1
C20 C 1.176(3) 0.175(2) 0.5458(15) 0.130(7) Uani 0.52(3) 1 d PDU B 1
H20A H 1.1827 0.2025 0.5982 0.194 Uiso 0.52(3) 1 calc PR B 1
H20B H 1.2923 0.1977 0.5291 0.194 Uiso 0.52(3) 1 calc PR B 1
H20C H 1.1556 0.1018 0.5325 0.194 Uiso 0.52(3) 1 calc PR B 1
C18' C 0.912(5) 0.3438(13) 0.5311(15) 0.115(7) Uani 0.48(3) 1 d PDU B 2
H18D H 0.9232 0.3696 0.5836 0.173 Uiso 0.48(3) 1 calc PR B 2
H18E H 0.7837 0.3404 0.5118 0.173 Uiso 0.48(3) 1 calc PR B 2
H18F H 0.9950 0.3883 0.5122 0.173 Uiso 0.48(3) 1 calc PR B 2
C19' C 0.828(5) 0.126(2) 0.5363(16) 0.156(9) Uani 0.48(3) 1 d PDU B 2
H19D H 0.8320 0.1500 0.5888 0.235 Uiso 0.48(3) 1 calc PR B 2
H19E H 0.8723 0.0610 0.5222 0.235 Uiso 0.48(3) 1 calc PR B 2
H19F H 0.6995 0.1179 0.5150 0.235 Uiso 0.48(3) 1 calc PR B 2
C20' C 1.223(2) 0.222(2) 0.5429(16) 0.128(8) Uani 0.48(3) 1 d PDU B 2
H20D H 1.2319 0.2497 0.5953 0.192 Uiso 0.48(3) 1 calc PR B 2
H20E H 1.3097 0.2637 0.5235 0.192 Uiso 0.48(3) 1 calc PR B 2
H20F H 1.2553 0.1542 0.5304 0.192 Uiso 0.48(3) 1 calc PR B 2
C21 C 0.7187(9) 0.1190(5) -0.0461(4) 0.0528(15) Uani 1 1 d . . .
C22 C 0.6793(9) 0.1219(5) -0.1074(4) 0.0571(16) Uani 1 1 d . . .
C23 C 0.6254(9) 0.1132(6) -0.1826(4) 0.0612(17) Uani 1 1 d . . .
C24 C 0.5981(12) 0.0191(6) -0.2355(4) 0.077(2) Uani 1 1 d . . .
H24A H 0.6196 -0.0383 -0.2224 0.092 Uiso 1 1 calc R . .
C25 C 0.5391(13) 0.0094(8) -0.3077(5) 0.091(3) Uani 1 1 d . . .
H25A H 0.5201 -0.0542 -0.3428 0.110 Uiso 1 1 calc R . .
C26 C 0.5091(13) 0.0935(8) -0.3270(5) 0.094(3) Uani 1 1 d . . .
H26A H 0.4709 0.0873 -0.3756 0.112 Uiso 1 1 calc R . .
C27 C 0.5347(13) 0.1868(8) -0.2757(6) 0.097(3) Uani 1 1 d . . .
H27A H 0.5112 0.2436 -0.2892 0.117 Uiso 1 1 calc R . .
C28 C 0.5951(12) 0.1972(6) -0.2041(5) 0.081(2) Uani 1 1 d . . .
H28A H 0.6159 0.2615 -0.1698 0.097 Uiso 1 1 calc R . .
C29 C 0.8168(9) 0.2372(5) 0.0988(3) 0.0502(14) Uani 1 1 d . . .
C30 C 0.8439(9) 0.3267(5) 0.1295(3) 0.0547(15) Uani 1 1 d . . .
C31 C 0.8703(10) 0.4348(5) 0.1655(3) 0.0554(15) Uani 1 1 d . . .
C32 C 0.7287(12) 0.4917(5) 0.1582(4) 0.073(2) Uani 1 1 d . . .
H32A H 0.6146 0.4591 0.1305 0.087 Uiso 1 1 calc R . .
C33 C 0.7526(16) 0.5949(6) 0.1909(5) 0.098(3) Uani 1 1 d . . .
H33A H 0.6565 0.6319 0.1847 0.117 Uiso 1 1 calc R . .
C34 C 0.9194(19) 0.6431(6) 0.2330(5) 0.102(3) Uani 1 1 d . . .
H34A H 0.9346 0.7126 0.2572 0.122 Uiso 1 1 calc R . .
C35 C 1.0631(16) 0.5891(6) 0.2393(5) 0.101(3) Uani 1 1 d . . .
H35A H 1.1777 0.6225 0.2663 0.121 Uiso 1 1 calc R . .
C36 C 1.0398(12) 0.4852(6) 0.2059(4) 0.078(2) Uani 1 1 d . . .
H36A H 1.1384 0.4491 0.2106 0.094 Uiso 1 1 calc R . .
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C21 Pt1 C29 90.5(3) . . ?
C21 Pt1 N2 172.6(2) . . ?
C29 Pt1 N2 96.9(2) . . ?
C21 Pt1 N1 93.8(2) . . ?
C29 Pt1 N1 175.6(2) . . ?
N2 Pt1 N1 78.83(18) . . ?
C3 Si1 C2' 71.2(12) . . ?
C3 Si1 C1' 128.9(13) . . ?
C2' Si1 C1' 117.8(12) . . ?
C3 Si1 C1 116.6(10) . . ?
C2' Si1 C1 133.4(11) . . ?
C1' Si1 C1 20.1(9) . . ?
C3 Si1 C3' 37.1(8) . . ?
C2' Si1 C3' 107.9(10) . . ?
C1' Si1 C3' 105.5(9) . . ?
C1 Si1 C3' 87.2(7) . . ?
C3 Si1 C4 112.9(8) . . ?
C2' Si1 C4 111.3(9) . . ?
C1' Si1 C4 109.2(10) . . ?
C1 Si1 C4 106.8(7) . . ?
C3' Si1 C4 104.0(2) . . ?
C3 Si1 C2 108.7(9) . . ?
C2' Si1 C2 38.8(10) . . ?
C1' Si1 C2 86.4(10) . . ?
C1 Si1 C2 106.1(8) . . ?
C3' Si1 C2 142.8(7) . . ?
C4 Si1 C2 105.0(6) . . ?
C20 Si2 C18' 126.7(12) . . ?
C20 Si2 C18 109.7(10) . . ?
C18' Si2 C18 23.4(9) . . ?
C20 Si2 C17 109.4(9) . . ?
C18' Si2 C17 111.8(9) . . ?
C18 Si2 C17 110.0(8) . . ?
C20 Si2 C19 113.3(11) . . ?
C18' Si2 C19 85.3(11) . . ?
C18 Si2 C19 107.7(10) . . ?
C17 Si2 C19 106.7(9) . . ?
C20 Si2 C19' 85.2(12) . . ?
C18' Si2 C19' 112.9(11) . . ?
C18 Si2 C19' 132.2(12) . . ?
C17 Si2 C19' 106.6(10) . . ?
C19 Si2 C19' 30.8(10) . . ?
C20 Si2 C20' 22.5(11) . . ?
C18' Si2 C20' 110.0(10) . . ?
C18 Si2 C20' 89.6(10) . . ?
C17 Si2 C20' 108.8(10) . . ?
C19 Si2 C20' 131.7(12) . . ?
C19' Si2 C20' 106.5(11) . . ?
C10 N1 C6 119.1(5) . . ?
C10 N1 Pt1 115.7(4) . . ?
C6 N1 Pt1 125.3(4) . . ?
C11 N2 C15 118.3(5) . . ?
C11 N2 Pt1 114.7(4) . . ?
C15 N2 Pt1 127.0(4) . . ?
C01 C01 Cl1 110.6(7) 2_565 . ?
C01 C01 H01A 109.5 2_565 . ?
Cl1 C01 H01A 109.5 . . ?
C01 C01 H01B 109.5 2_565 . ?
Cl1 C01 H01B 109.5 . . ?
H01A C01 H01B 108.1 . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C1' H1'A 109.5 . . ?
Si1 C1' H1'B 109.5 . . ?
H1'A C1' H1'B 109.5 . . ?
Si1 C1' H1'C 109.5 . . ?
H1'A C1' H1'C 109.5 . . ?
H1'B C1' H1'C 109.5 . . ?
Si1 C2' H2'A 109.5 . . ?
Si1 C2' H2'B 109.5 . . ?
H2'A C2' H2'B 109.5 . . ?
Si1 C2' H2'C 109.5 . . ?
H2'A C2' H2'C 109.5 . . ?
H2'B C2' H2'C 109.5 . . ?
Si1 C3' H3'A 109.5 . . ?
Si1 C3' H3'B 109.5 . . ?
H3'A C3' H3'B 109.5 . . ?
Si1 C3' H3'C 109.5 . . ?
H3'A C3' H3'C 109.5 . . ?
H3'B C3' H3'C 109.5 . . ?
C5 C4 Si1 175.74(15) . . ?
C4 C5 C7 173.1(3) . . ?
N1 C6 C7 122.1(5) . . ?
N1 C6 H6A 119.0 . . ?
C7 C6 H6A 119.0 . . ?
C8 C7 C6 118.3(6) . . ?
C8 C7 C5 123.2(6) . . ?
C6 C7 C5 118.4(6) . . ?
C7 C8 C9 119.2(6) . . ?
C7 C8 H8A 120.4 . . ?
C9 C8 H8A 120.4 . . ?
C10 C9 C8 120.3(6) . . ?
C10 C9 H9A 119.8 . . ?
C8 C9 H9A 119.8 . . ?
N1 C10 C9 121.0(5) . . ?
N1 C10 C11 115.1(5) . . ?
C9 C10 C11 124.0(5) . . ?
N2 C11 C12 120.3(5) . . ?
N2 C11 C10 115.7(5) . . ?
C12 C11 C10 124.0(5) . . ?
C13 C12 C11 120.8(6) . . ?
C13 C12 H12A 119.6 . . ?
C11 C12 H12A 119.6 . . ?
C12 C13 C14 119.4(6) . . ?
C12 C13 H13A 120.3 . . ?
C14 C13 H13A 120.3 . . ?
C15 C14 C13 118.7(6) . . ?
C15 C14 C16 122.9(6) . . ?
C13 C14 C16 118.4(6) . . ?
C14 C15 N2 122.5(6) . . ?
C14 C15 H15A 118.8 . . ?
N2 C15 H15A 118.8 . . ?
C17 C16 C14 173.5(9) . . ?
C16 C17 Si2 174.4(8) . . ?
Si2 C18 H18A 109.5 . . ?
Si2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si2 C19 H19A 109.5 . . ?
Si2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si2 C20 H20A 109.5 . . ?
Si2 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si2 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si2 C18' H18D 109.5 . . ?
Si2 C18' H18E 109.5 . . ?
H18D C18' H18E 109.5 . . ?
Si2 C18' H18F 109.5 . . ?
H18D C18' H18F 109.5 . . ?
H18E C18' H18F 109.5 . . ?
Si2 C19' H19D 109.5 . . ?
Si2 C19' H19E 109.5 . . ?
H19D C19' H19E 109.5 . . ?
Si2 C19' H19F 109.5 . . ?
H19D C19' H19F 109.5 . . ?
H19E C19' H19F 109.5 . . ?
Si2 C20' H20D 109.5 . . ?
Si2 C20' H20E 109.5 . . ?
H20D C20' H20E 109.5 . . ?
Si2 C20' H20F 109.5 . . ?
H20D C20' H20F 109.5 . . ?
H20E C20' H20F 109.5 . . ?
C22 C21 Pt1 171.1(6) . . ?
C21 C22 C23 173.5(8) . . ?
C28 C23 C24 118.1(7) . . ?
C28 C23 C22 121.5(7) . . ?
C24 C23 C22 120.3(7) . . ?
C23 C24 C25 120.8(8) . . ?
C23 C24 H24A 119.6 . . ?
C25 C24 H24A 119.6 . . ?
C26 C25 C24 119.6(9) . . ?
C26 C25 H25A 120.2 . . ?
C24 C25 H25A 120.2 . . ?
C25 C26 C27 120.5(8) . . ?
C25 C26 H26A 119.7 . . ?
C27 C26 H26A 119.7 . . ?
C26 C27 C28 120.2(8) . . ?
C26 C27 H27A 119.9 . . ?
C28 C27 H27A 119.9 . . ?
C27 C28 C23 120.7(9) . . ?
C27 C28 H28A 119.6 . . ?
C23 C28 H28A 119.6 . . ?
C30 C29 Pt1 178.1(6) . . ?
C29 C30 C31 178.1(7) . . ?
C36 C31 C32 118.1(6) . . ?
C36 C31 C30 121.1(6) . . ?
C32 C31 C30 120.8(6) . . ?
C33 C32 C31 121.6(8) . . ?
C33 C32 H32A 119.2 . . ?
C31 C32 H32A 119.2 . . ?
C32 C33 C34 119.4(8) . . ?
C32 C33 H33A 120.3 . . ?
C34 C33 H33A 120.3 . . ?
C35 C34 C33 120.0(8) . . ?
C35 C34 H34A 120.0 . . ?
C33 C34 H34A 120.0 . . ?
C34 C35 C36 120.6(9) . . ?
C34 C35 H35A 119.7 . . ?
C36 C35 H35A 119.7 . . ?
C35 C36 C31 120.2(8) . . ?
C35 C36 H36A 119.9 . . ?
C31 C36 H36A 119.9 . . ?
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 C21 1.957(7) . ?
Pt1 C29 1.957(6) . ?
Pt1 N2 2.068(5) . ?
Pt1 N1 2.068(5) . ?
Si1 C3 1.807(9) . ?
Si1 C2' 1.817(9) . ?
Si1 C1' 1.829(10) . ?
Si1 C1 1.833(9) . ?
Si1 C3' 1.849(5) . ?
Si1 C4 1.850(4) . ?
Si1 C2 1.863(9) . ?
Si2 C20 1.817(9) . ?
Si2 C18' 1.821(9) . ?
Si2 C18 1.828(9) . ?
Si2 C17 1.830(7) . ?
Si2 C19 1.834(9) . ?
Si2 C19' 1.835(10) . ?
Si2 C20' 1.838(9) . ?
N1 C10 1.345(7) . ?
N1 C6 1.349(6) . ?
N2 C11 1.360(7) . ?
N2 C15 1.360(7) . ?
C01 C01 1.497(17) 2_565 ?
C01 Cl1 1.765(8) . ?
C01 H01A 0.9700 . ?
C01 H01B 0.9700 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C1' H1'A 0.9600 . ?
C1' H1'B 0.9600 . ?
C1' H1'C 0.9600 . ?
C2' H2'A 0.9600 . ?
C2' H2'B 0.9600 . ?
C2' H2'C 0.9600 . ?
C3' H3'A 0.9600 . ?
C3' H3'B 0.9600 . ?
C3' H3'C 0.9600 . ?
C4 C5 1.1957 . ?
C5 C7 1.416(7) . ?
C6 C7 1.384(7) . ?
C6 H6A 0.9300 . ?
C7 C8 1.372(10) . ?
C8 C9 1.380(9) . ?
C8 H8A 0.9300 . ?
C9 C10 1.362(8) . ?
C9 H9A 0.9300 . ?
C10 C11 1.465(8) . ?
C11 C12 1.381(8) . ?
C12 C13 1.349(9) . ?
C12 H12A 0.9300 . ?
C13 C14 1.389(9) . ?
C13 H13A 0.9300 . ?
C14 C15 1.360(9) . ?
C14 C16 1.465(9) . ?
C15 H15A 0.9300 . ?
C16 C17 1.181(10) . ?
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 . ?
C18' H18D 0.9600 . ?
C18' H18E 0.9600 . ?
C18' H18F 0.9600 . ?
C19' H19D 0.9600 . ?
C19' H19E 0.9600 . ?
C19' H19F 0.9600 . ?
C20' H20D 0.9600 . ?
C20' H20E 0.9600 . ?
C20' H20F 0.9600 . ?
C21 C22 1.205(9) . ?
C22 C23 1.435(9) . ?
C23 C28 1.384(10) . ?
C23 C24 1.384(10) . ?
C24 C25 1.386(11) . ?
C24 H24A 0.9300 . ?
C25 C26 1.361(13) . ?
C25 H25A 0.9300 . ?
C26 C27 1.363(13) . ?
C26 H26A 0.9300 . ?
C27 C28 1.374(11) . ?
C27 H27A 0.9300 . ?
C28 H28A 0.9300 . ?
C29 C30 1.195(9) . ?
C30 C31 1.441(9) . ?
C31 C36 1.383(10) . ?
C31 C32 1.384(9) . ?
C32 C33 1.372(10) . ?
C32 H32A 0.9300 . ?
C33 C34 1.373(14) . ?
C33 H33A 0.9300 . ?
C34 C35 1.366(13) . ?
C34 H34A 0.9300 . ?
C35 C36 1.382(11) . ?
C35 H35A 0.9300 . ?
C36 H36A 0.9300 . ?
