#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/45/7104551.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_7104551
loop_
_publ_author_name
'Ni, Jun'
'Zhang, Li-Yi'
'Wen, Hui-Min'
'Chen, Zhong-Ning'
_publ_section_title
;
 Luminescence vapochromic properties of a platinum(II) complex with
 5,5'-bis(trimethylsilylethynyl)-2,2'-bipyridine.
;
_journal_issue                   25
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3801
_journal_page_last               3803
_journal_paper_doi               10.1039/b901248f
_journal_volume                  34
_journal_year                    2009
_chemical_formula_sum            'C45.5 H40.5 Cl4.5 N6 O0.5 Pt Si2'
_chemical_formula_weight         1090.89
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.987(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.299(11)
_cell_length_b                   32.774(13)
_cell_length_c                   13.478(6)
_cell_measurement_reflns_used    10834
_cell_measurement_temperature    113.1500
_cell_measurement_theta_max      27.4333
_cell_measurement_theta_min      3.0396
_cell_volume                     10288(8)
_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      113.1(1)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  Saturn70
_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  0.0843
_diffrn_reflns_av_sigmaI/netI    0.0948
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            32100
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    3.045
_exptl_absorpt_correction_T_max  0.942
_exptl_absorpt_correction_T_min  0.541
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker(2000)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4342
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.0500
_exptl_crystal_size_min          0.0200
_refine_diff_density_max         2.456
_refine_diff_density_min         -2.180
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       0.00069(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     624
_refine_ls_number_reflns         8887
_refine_ls_number_restraints     231
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0875
_refine_ls_R_factor_gt           0.0685
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0812P)²+42.2224P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1636
_refine_ls_wR_factor_ref         0.1806
_reflns_number_gt                6875
_reflns_number_total             8887
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b901248f.txt
_cod_data_source_block           1.CHCl3
_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_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C45.50 H40.5 Cl4.50 N6 O0.50 Pt Si2'
_cod_database_code               7104551
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.476640(14) 0.452191(10) 0.61981(3) 0.04037(18) Uani 1 1 d . . .
Si1 Si 0.39355(14) 0.69340(8) 0.6210(3) 0.0635(8) Uani 1 1 d D . .
Si2 Si 0.75310(17) 0.28667(14) 0.7696(4) 0.1201(17) Uani 1 1 d DU . .
C1 C 0.3177(4) 0.6783(4) 0.5747(12) 0.094(4) Uani 1 1 d D . .
H1A H 0.3136 0.6573 0.6209 0.141 Uiso 1 1 calc R . .
H1B H 0.3047 0.6682 0.5022 0.141 Uiso 1 1 calc R . .
H1C H 0.2950 0.7015 0.5768 0.141 Uiso 1 1 calc R . .
C2 C 0.4213(6) 0.7092(3) 0.7632(6) 0.082(4) Uani 1 1 d D . .
H2A H 0.4003 0.7325 0.7708 0.123 Uiso 1 1 calc R . .
H2B H 0.4612 0.7161 0.7865 0.123 Uiso 1 1 calc R . .
H2C H 0.4170 0.6872 0.8064 0.123 Uiso 1 1 calc R . .
C3 C 0.4046(6) 0.7345(3) 0.5382(10) 0.086(4) Uani 1 1 d D . .
H3A H 0.4445 0.7419 0.5658 0.129 Uiso 1 1 calc R . .
H3B H 0.3822 0.7579 0.5405 0.129 Uiso 1 1 calc R . .
H3C H 0.3928 0.7253 0.4651 0.129 Uiso 1 1 calc R . .
C4 C 0.4364(5) 0.6486(3) 0.6142(8) 0.060(2) Uani 1 1 d DU . .
C5 C 0.4658(4) 0.6192(3) 0.6162(7) 0.051(2) Uani 1 1 d DU . .
C6 C 0.4762(4) 0.5460(2) 0.6175(6) 0.0390(19) Uani 1 1 d U . .
H6A H 0.4374 0.5440 0.6047 0.047 Uiso 1 1 calc R . .
C7 C 0.4999(4) 0.5838(3) 0.6262(7) 0.0420(17) Uani 1 1 d U . .
C8 C 0.5604(4) 0.5866(3) 0.6544(7) 0.0444(18) Uani 1 1 d U . .
H8A H 0.5805 0.6111 0.6693 0.053 Uiso 1 1 calc R . .
C9 C 0.5852(4) 0.5506(2) 0.6574(6) 0.0382(17) Uani 1 1 d U . .
H9A H 0.6234 0.5519 0.6655 0.046 Uiso 1 1 calc R . .
C10 C 0.5646(4) 0.5133(2) 0.6509(6) 0.0404(17) Uani 1 1 d U . .
C11 C 0.5956(4) 0.4751(3) 0.6591(6) 0.042(2) Uani 1 1 d . . .
C12 C 0.6513(4) 0.4713(3) 0.6694(7) 0.050(2) Uani 1 1 d . . .
H12A H 0.6720 0.4946 0.6682 0.060 Uiso 1 1 calc R . .
C13 C 0.6766(4) 0.4351(3) 0.6810(8) 0.053(2) Uani 1 1 d . . .
H13A H 0.7145 0.4331 0.6881 0.064 Uiso 1 1 calc R . .
C14 C 0.6455(4) 0.3998(3) 0.6825(7) 0.051(2) Uani 1 1 d . A .
C15 C 0.5879(4) 0.4036(3) 0.6649(7) 0.048(2) Uani 1 1 d . . .
H15A H 0.5663 0.3803 0.6623 0.057 Uiso 1 1 calc R . .
C16 C 0.6733(4) 0.3599(3) 0.7023(8) 0.057(3) Uani 1 1 d . . .
C17 C 0.7024(5) 0.3291(3) 0.7254(10) 0.075(3) Uani 1 1 d . A .
C21 C 0.3990(4) 0.4699(3) 0.5895(7) 0.044(2) Uani 1 1 d . . .
C22 C 0.3539(4) 0.4861(3) 0.5747(7) 0.050(2) Uani 1 1 d . . .
C23 C 0.2519(4) 0.4902(3) 0.5616(9) 0.067(3) Uani 1 1 d . . .
H23A H 0.2490 0.4619 0.5606 0.080 Uiso 1 1 calc R . .
C24 C 0.3025(4) 0.5082(3) 0.5656(7) 0.051(2) Uani 1 1 d . . .
C25 C 0.3025(4) 0.5522(3) 0.5645(8) 0.054(2) Uani 1 1 d . . .
H25A H 0.3352 0.5656 0.5660 0.065 Uiso 1 1 calc R . .
C26 C 0.2589(4) 0.5740(3) 0.5615(7) 0.044(2) Uani 1 1 d . . .
H26A H 0.2615 0.6023 0.5622 0.052 Uiso 1 1 calc R . .
C27 C 0.2099(4) 0.5563(3) 0.5575(8) 0.051(2) Uani 1 1 d . . .
C28 C 0.1627(4) 0.5825(3) 0.5539(9) 0.063(3) Uani 1 1 d . . .
C29 C 0.1137(4) 0.5644(3) 0.5473(10) 0.067(3) Uani 1 1 d . . .
H29A H 0.1102 0.5362 0.5429 0.081 Uiso 1 1 calc R . .
C30 C 0.1218(5) 0.6477(3) 0.5560(11) 0.081(4) Uani 1 1 d . . .
H30A H 0.1243 0.6761 0.5585 0.098 Uiso 1 1 calc R . .
C31 C 0.0720(5) 0.6295(4) 0.5516(11) 0.082(4) Uani 1 1 d . . .
H31A H 0.0411 0.6449 0.5518 0.099 Uiso 1 1 calc R . .
C32 C 0.0698(5) 0.5877(4) 0.5470(12) 0.095(4) Uani 1 1 d . . .
H32A H 0.0364 0.5748 0.5435 0.113 Uiso 1 1 calc R . .
C33 C 0.4544(4) 0.3948(3) 0.6105(7) 0.047(2) Uani 1 1 d . . .
C34 C 0.4467(4) 0.3580(3) 0.6071(7) 0.047(2) Uani 1 1 d . . .
C35 C 0.4031(5) 0.2960(3) 0.6430(9) 0.063(3) Uani 1 1 d . . .
H35A H 0.3799 0.3133 0.6634 0.076 Uiso 1 1 calc R . .
C36 C 0.4414(4) 0.3141(3) 0.6088(7) 0.051(2) Uani 1 1 d . . .
C37 C 0.4759(5) 0.2880(3) 0.5827(11) 0.073(3) Uani 1 1 d . . .
H37A H 0.5043 0.2986 0.5626 0.088 Uiso 1 1 calc R . .
C38 C 0.4697(5) 0.2464(3) 0.5853(11) 0.079(4) Uani 1 1 d . . .
H38A H 0.4920 0.2289 0.5636 0.095 Uiso 1 1 calc R . .
C39 C 0.4296(4) 0.2316(3) 0.6211(9) 0.061(3) Uani 1 1 d . . .
C40 C 0.4211(6) 0.1869(3) 0.6303(16) 0.119(4) Uani 1 1 d DU . .
C41 C 0.3819(6) 0.1714(3) 0.6656(15) 0.116(4) Uani 1 1 d DU . .
H41A H 0.3601 0.1893 0.6878 0.139 Uiso 1 1 calc R . .
C42 C 0.3732(7) 0.1304(3) 0.6699(17) 0.130(4) Uani 1 1 d DU . .
H42A H 0.3476 0.1202 0.6981 0.156 Uiso 1 1 calc R . .
C43 C 0.4031(8) 0.1051(5) 0.6315(19) 0.154(5) Uani 1 1 d DU . .
H43A H 0.3985 0.0770 0.6320 0.184 Uiso 1 1 calc R . .
C44 C 0.4398(8) 0.1219(4) 0.5922(18) 0.158(5) Uani 1 1 d DU . .
H44A H 0.4594 0.1043 0.5644 0.189 Uiso 1 1 calc R . .
N1 N 0.5070(3) 0.5109(2) 0.6268(5) 0.0383(15) Uani 1 1 d U . .
N2 N 0.5627(3) 0.4409(2) 0.6514(5) 0.0447(17) Uani 1 1 d . . .
N3 N 0.3955(4) 0.2562(3) 0.6500(8) 0.065(2) Uani 1 1 d . . .
N4 N 0.4500(7) 0.1620(3) 0.5905(15) 0.145(4) Uani 1 1 d DU . .
N5 N 0.2051(4) 0.5139(3) 0.5592(8) 0.083(3) Uani 1 1 d . . .
N6 N 0.1685(5) 0.6253(3) 0.5567(10) 0.096(3) Uani 1 1 d . . .
C01 C 0.3079(5) 0.3935(3) 0.4306(8) 0.063(3) Uani 1 1 d . . .
H01A H 0.3453 0.4064 0.4686 0.076 Uiso 1 1 calc R . .
Cl01 Cl 0.31724(15) 0.35179(10) 0.3574(3) 0.0885(10) Uani 1 1 d . . .
Cl02 Cl 0.26115(12) 0.42976(10) 0.3446(2) 0.0734(8) Uani 1 1 d . . .
Cl03 Cl 0.28161(14) 0.37637(10) 0.5275(2) 0.0784(8) Uani 1 1 d . . .
O01 O -0.0252(10) 0.6756(9) -0.715(3) 0.23(2) Uani 0.50 1 d PU . .
C18 C 0.7231(17) 0.2400(7) 0.695(2) 0.094(8) Uani 0.497(19) 1 d PDU A 1
H18A H 0.7175 0.2436 0.6205 0.142 Uiso 0.497(19) 1 calc PR A 1
H18B H 0.6869 0.2342 0.6992 0.142 Uiso 0.497(19) 1 calc PR A 1
H18C H 0.7491 0.2178 0.7249 0.142 Uiso 0.497(19) 1 calc PR A 1
C19 C 0.7578(13) 0.2746(9) 0.9069(12) 0.117(7) Uani 0.497(19) 1 d PDU A 1
H19A H 0.7840 0.2524 0.9359 0.175 Uiso 0.497(19) 1 calc PR A 1
H19B H 0.7205 0.2670 0.9038 0.175 Uiso 0.497(19) 1 calc PR A 1
H19C H 0.7712 0.2981 0.9523 0.175 Uiso 0.497(19) 1 calc PR A 1
C20 C 0.8261(8) 0.2987(13) 0.784(3) 0.160(10) Uani 0.497(19) 1 d PDU A 1
H20A H 0.8264 0.3052 0.7151 0.240 Uiso 0.497(19) 1 calc PR A 1
H20B H 0.8505 0.2756 0.8141 0.240 Uiso 0.497(19) 1 calc PR A 1
H20C H 0.8400 0.3217 0.8318 0.240 Uiso 0.497(19) 1 calc PR A 1
C18' C 0.7142(17) 0.2385(8) 0.743(3) 0.125(11) Uani 0.503(19) 1 d PDU A 2
H18D H 0.7020 0.2318 0.6677 0.188 Uiso 0.503(19) 1 calc PR A 2
H18E H 0.6812 0.2409 0.7608 0.188 Uiso 0.503(19) 1 calc PR A 2
H18F H 0.7388 0.2173 0.7855 0.188 Uiso 0.503(19) 1 calc PR A 2
C19' C 0.8066(11) 0.2965(10) 0.9041(13) 0.122(8) Uani 0.503(19) 1 d PDU A 2
H19D H 0.8398 0.3090 0.8987 0.183 Uiso 0.503(19) 1 calc PR A 2
H19E H 0.8175 0.2713 0.9429 0.183 Uiso 0.503(19) 1 calc PR A 2
H19F H 0.7908 0.3146 0.9416 0.183 Uiso 0.503(19) 1 calc PR A 2
C20' C 0.7917(15) 0.2895(12) 0.679(2) 0.155(10) Uani 0.503(19) 1 d PDU A 2
H20D H 0.7646 0.2934 0.6058 0.233 Uiso 0.503(19) 1 calc PR A 2
H20E H 0.8124 0.2646 0.6830 0.233 Uiso 0.503(19) 1 calc PR A 2
H20F H 0.8181 0.3120 0.6993 0.233 Uiso 0.503(19) 1 calc PR A 2
C02 C 0.404(2) 0.0539(15) -0.694(4) 0.333(15) Uani 0.25 1 d PDU B 1
H02A H 0.4043 0.0599 -0.6228 0.400 Uiso 0.25 1 calc PR B 1
Cl4 Cl 0.339(2) 0.029(3) -0.769(5) 0.40(2) Uani 0.25 1 d PDU B 1
Cl5 Cl 0.409(3) 0.1006(14) -0.755(4) 0.45(4) Uani 0.25 1 d PDU B 1
Cl6 Cl 0.463(3) 0.0224(13) -0.676(5) 0.335(14) Uani 0.25 1 d PDU B 1
C02' C 0.403(2) 0.0368(13) -0.715(3) 0.330(15) Uani 0.25 1 d PDU C 2
H02B H 0.4105 0.0581 -0.7590 0.396 Uiso 0.25 1 calc PR C 2
Cl4' Cl 0.340(3) 0.011(3) -0.798(5) 0.40(2) Uani 0.25 1 d PDU C 2
Cl5' Cl 0.3940(16) 0.0609(9) -0.606(3) 0.310(14) Uani 0.25 1 d PDU C 2
Cl6' Cl 0.462(2) 0.0035(11) -0.671(6) 0.314(14) Uani 0.25 1 d PDU C 2
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'
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'
O O 0.0106 0.0060 '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'
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 C33 91.8(4) . . ?
C21 Pt1 N1 93.4(3) . . ?
C33 Pt1 N1 174.4(3) . . ?
C21 Pt1 N2 172.7(3) . . ?
C33 Pt1 N2 95.4(3) . . ?
N1 Pt1 N2 79.3(3) . . ?
C21 Pt1 Pt1 98.1(2) . 2_656 ?
C33 Pt1 Pt1 92.5(2) . 2_656 ?
N1 Pt1 Pt1 88.78(17) . 2_656 ?
N2 Pt1 Pt1 82.42(19) . 2_656 ?
C1 Si1 C3 112.1(7) . . ?
C1 Si1 C2 110.7(6) . . ?
C3 Si1 C2 109.8(6) . . ?
C1 Si1 C4 108.9(6) . . ?
C3 Si1 C4 108.7(5) . . ?
C2 Si1 C4 106.4(5) . . ?
C19' Si2 C18' 119.1(14) . . ?
C19' Si2 C20 61.6(15) . . ?
C18' Si2 C20 131(2) . . ?
C19' Si2 C18 133.4(17) . . ?
C18' Si2 C18 24.2(14) . . ?
C20 Si2 C18 115.3(15) . . ?
C19' Si2 C17 110.1(11) . . ?
C18' Si2 C17 109.9(15) . . ?
C20 Si2 C17 115.1(15) . . ?
C18 Si2 C17 111.7(14) . . ?
C19' Si2 C20' 105.8(13) . . ?
C18' Si2 C20' 107.3(14) . . ?
C20 Si2 C20' 44.3(14) . . ?
C18 Si2 C20' 83.6(15) . . ?
C17 Si2 C20' 103.4(14) . . ?
C19' Si2 C19 46.3(12) . . ?
C18' Si2 C19 80.3(14) . . ?
C20 Si2 C19 105.7(13) . . ?
C18 Si2 C19 102.9(12) . . ?
C17 Si2 C19 104.6(10) . . ?
C20' Si2 C19 146.3(15) . . ?
C5 C4 Si1 176.2(9) . . ?
C4 C5 C7 175.6(10) . . ?
C7 C6 N1 122.8(8) . . ?
C6 C7 C5 120.2(8) . . ?
C6 C7 C8 118.2(8) . . ?
C5 C7 C8 121.4(8) . . ?
C9 C8 C7 113.2(8) . . ?
C10 C9 C8 130.7(9) . . ?
C9 C10 N1 115.3(8) . . ?
C9 C10 C11 127.3(8) . . ?
N1 C10 C11 117.3(7) . . ?
C12 C11 N2 120.2(8) . . ?
C12 C11 C10 126.0(8) . . ?
N2 C11 C10 113.7(8) . . ?
C13 C12 C11 121.5(9) . . ?
C12 C13 C14 119.5(9) . . ?
C15 C14 C13 118.6(9) . . ?
C15 C14 C16 120.7(9) . . ?
C13 C14 C16 120.6(8) . . ?
N2 C15 C14 120.7(9) . . ?
C17 C16 C14 172.3(11) . . ?
C16 C17 Si2 173.4(10) . . ?
C22 C21 Pt1 171.1(8) . . ?
C21 C22 C24 174.4(10) . . ?
C24 C23 N5 121.4(10) . . ?
C23 C24 C25 115.3(9) . . ?
C23 C24 C22 124.8(9) . . ?
C25 C24 C22 119.8(9) . . ?
C26 C25 C24 123.1(9) . . ?
C25 C26 C27 121.1(9) . . ?
C26 C27 N5 120.9(9) . . ?
C26 C27 C28 118.3(9) . . ?
N5 C27 C28 120.8(9) . . ?
C29 C28 N6 121.6(10) . . ?
C29 C28 C27 117.8(9) . . ?
N6 C28 C27 120.6(10) . . ?
C28 C29 C32 119.3(10) . . ?
C31 C30 N6 122.3(11) . . ?
C32 C31 C30 117.1(11) . . ?
C29 C32 C31 123.1(12) . . ?
C34 C33 Pt1 172.9(8) . . ?
C33 C34 C36 176.2(10) . . ?
N3 C35 C36 126.4(10) . . ?
C35 C36 C37 115.2(9) . . ?
C35 C36 C34 121.4(9) . . ?
C37 C36 C34 123.3(9) . . ?
C36 C37 C38 121.8(11) . . ?
C37 C38 C39 117.8(10) . . ?
N3 C39 C38 122.5(9) . . ?
N3 C39 C40 115.8(9) . . ?
C38 C39 C40 121.7(10) . . ?
N4 C40 C41 120.0(12) . . ?
N4 C40 C39 116.5(10) . . ?
C41 C40 C39 123.1(10) . . ?
C40 C41 C42 122.4(12) . . ?
C43 C42 C41 117.5(14) . . ?
C44 C43 C42 118.3(15) . . ?
N4 C44 C43 124.8(15) . . ?
C10 N1 C6 119.3(7) . . ?
C10 N1 Pt1 114.2(5) . . ?
C6 N1 Pt1 126.3(6) . . ?
C15 N2 C11 119.0(8) . . ?
C15 N2 Pt1 125.9(6) . . ?
C11 N2 Pt1 115.1(6) . . ?
C35 N3 C39 116.2(9) . . ?
C40 N4 C44 116.9(13) . . ?
C27 N5 C23 118.1(10) . . ?
C30 N6 C28 116.5(11) . . ?
Cl01 C01 Cl02 111.1(6) . . ?
Cl01 C01 Cl03 109.8(6) . . ?
Cl02 C01 Cl03 110.6(6) . . ?
Cl5 C02 Cl4 111.1(9) . . ?
Cl5 C02 Cl6 111.4(9) . . ?
Cl4 C02 Cl6 111.0(9) . . ?
Cl5' C02' Cl4' 111.1(9) . . ?
Cl5' C02' Cl6' 111.4(9) . . ?
Cl4' C02' Cl6' 111.2(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 1.932(10) . ?
Pt1 C33 1.953(10) . ?
Pt1 N1 2.059(7) . ?
Pt1 N2 2.081(8) . ?
Pt1 Pt1 3.2363(15) 2_656 ?
Si1 C1 1.840(7) . ?
Si1 C3 1.840(7) . ?
Si1 C2 1.839(7) . ?
Si1 C4 1.848(10) . ?
Si2 C19' 1.819(8) . ?
Si2 C18' 1.821(8) . ?
Si2 C20 1.822(8) . ?
Si2 C18 1.826(8) . ?
Si2 C17 1.828(11) . ?
Si2 C20' 1.845(8) . ?
Si2 C19 1.851(8) . ?
C4 C5 1.210(8) . ?
C5 C7 1.423(12) . ?
C6 C7 1.362(11) . ?
C6 N1 1.369(10) . ?
C7 C8 1.428(12) . ?
C8 C9 1.330(11) . ?
C9 C10 1.317(11) . ?
C10 N1 1.366(11) . ?
C10 C11 1.458(12) . ?
C11 C12 1.368(13) . ?
C11 N2 1.376(11) . ?
C12 C13 1.328(13) . ?
C13 C14 1.404(14) . ?
C14 C15 1.388(12) . ?
C14 C16 1.458(14) . ?
C15 N2 1.359(11) . ?
C16 C17 1.214(14) . ?
C21 C22 1.204(12) . ?
C22 C24 1.452(13) . ?
C23 C24 1.391(13) . ?
C23 N5 1.404(13) . ?
C24 C25 1.441(13) . ?
C25 C26 1.302(12) . ?
C26 C27 1.350(12) . ?
C27 N5 1.396(14) . ?
C27 C28 1.458(14) . ?
C28 C29 1.343(14) . ?
C28 N6 1.412(14) . ?
C29 C32 1.346(15) . ?
C30 C31 1.374(17) . ?
C30 N6 1.388(15) . ?
C31 C32 1.373(17) . ?
C33 C34 1.221(13) . ?
C34 C36 1.444(13) . ?
C35 N3 1.328(13) . ?
C35 C36 1.362(14) . ?
C36 C37 1.363(14) . ?
C37 C38 1.374(14) . ?
C38 C39 1.372(14) . ?
C39 N3 1.344(13) . ?
C39 C40 1.493(14) . ?
C40 N4 1.340(9) . ?
C40 C41 1.357(9) . ?
C41 C42 1.365(9) . ?
C42 C43 1.355(9) . ?
C43 C44 1.351(9) . ?
C44 N4 1.342(9) . ?
C01 Cl01 1.755(11) . ?
C01 Cl02 1.756(11) . ?
C01 Cl03 1.772(11) . ?
C02 Cl5 1.759(10) . ?
C02 Cl4 1.760(10) . ?
C02 Cl6 1.760(10) . ?
C02' Cl5' 1.758(10) . ?
C02' Cl4' 1.758(10) . ?
C02' Cl6' 1.759(10) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C31 H31A N4 0.93 2.62 3.495(18) 157.0 3_455
C19 H19C Cl03 0.96 2.94 3.68(3) 134.5 2_656
C01 H01A Cg1 0.98 2.74 3.471 131.8 1_555
C01 H01A Cg2 0.98 2.78 3.513 128.8 1_555
