#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:37:28 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180148 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/45/7104552.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_7104552
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 H40 Cl2 N6 Pt Si2'
_chemical_formula_weight         987.00
_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                110.080(10)
_cell_angle_beta                 95.310(10)
_cell_angle_gamma                98.440(10)
_cell_formula_units_Z            2
_cell_length_a                   10.871(2)
_cell_length_b                   13.0950(10)
_cell_length_c                   16.6330(10)
_cell_measurement_reflns_used    6221
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.4898
_cell_volume                     2173.6(5)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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  Saturn70
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0411
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16765
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    3.445
_exptl_absorpt_correction_T_max  0.712
_exptl_absorpt_correction_T_min  0.558
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker(2000)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.3000
_exptl_crystal_size_mid          0.1500
_exptl_crystal_size_min          0.1000
_refine_diff_density_max         1.455
_refine_diff_density_min         -1.306
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         9783
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0380P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.0733
_reflns_number_gt                8682
_reflns_number_total             9783
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b901248f.txt
_cod_data_source_block           1.CH2Cl2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_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_database_code               7104552
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 0.253843(11) 0.987686(9) 1.001098(7) 0.03741(5) Uani 1 1 d . . .
Si1 Si 0.85369(10) 1.23827(8) 1.37341(6) 0.0500(2) Uani 1 1 d . . .
Si2 Si -0.29397(10) 1.01844(9) 0.65054(7) 0.0538(3) Uani 1 1 d . . .
N1 N 0.3828(3) 1.1323(2) 1.06635(16) 0.0357(6) Uani 1 1 d . . .
N2 N 0.1777(3) 1.0969(2) 0.95668(16) 0.0379(6) Uani 1 1 d . . .
N3 N 0.6809(3) 0.8468(2) 1.23382(18) 0.0490(7) Uani 1 1 d . . .
N4 N 0.7453(3) 0.5958(2) 1.25626(19) 0.0542(7) Uani 1 1 d . . .
N5 N -0.2739(3) 0.6969(2) 0.74068(19) 0.0501(7) Uani 1 1 d . . .
N6 N -0.4164(3) 0.4073(3) 0.6355(3) 0.0711(10) Uani 1 1 d . . .
C1 C 0.4840(3) 1.1432(3) 1.12259(19) 0.0426(7) Uani 1 1 d . . .
H1 H 0.5024 1.0803 1.1313 0.051 Uiso 1 1 calc R . .
C2 C 0.5636(3) 1.2447(3) 1.1689(2) 0.0414(7) Uani 1 1 d . . .
C3 C 0.5362(3) 1.3378(3) 1.1532(2) 0.0457(8) Uani 1 1 d . . .
H3 H 0.5871 1.4070 1.1828 0.055 Uiso 1 1 calc R . .
C4 C 0.4336(3) 1.3265(3) 1.0941(2) 0.0451(8) Uani 1 1 d . . .
H4 H 0.4161 1.3881 1.0827 0.054 Uiso 1 1 calc R . .
C5 C 0.3557(3) 1.2235(2) 1.05081(19) 0.0373(7) Uani 1 1 d . . .
C6 C 0.2435(3) 1.2036(2) 0.98820(19) 0.0373(7) Uani 1 1 d . . .
C7 C 0.2043(3) 1.2828(3) 0.9598(2) 0.0441(8) Uani 1 1 d . . .
H7 H 0.2487 1.3554 0.9830 0.053 Uiso 1 1 calc R . .
C8 C 0.1005(3) 1.2552(3) 0.8976(2) 0.0436(8) Uani 1 1 d . . .
H8 H 0.0759 1.3085 0.8777 0.052 Uiso 1 1 calc R . .
C9 C 0.0321(3) 1.1468(3) 0.8643(2) 0.0419(7) Uani 1 1 d . . .
C10 C 0.0742(3) 1.0713(3) 0.8978(2) 0.0429(7) Uani 1 1 d . . .
H10 H 0.0279 0.9995 0.8781 0.052 Uiso 1 1 calc R . .
C11 C 0.6638(3) 1.2482(3) 1.2325(2) 0.0456(8) Uani 1 1 d . . .
C12 C 0.7429(4) 1.2470(3) 1.2867(2) 0.0505(8) Uani 1 1 d . . .
C13 C 0.9858(4) 1.3569(4) 1.4068(3) 0.0812(14) Uani 1 1 d . . .
H13A H 1.0271 1.3555 1.3579 0.122 Uiso 1 1 calc R . .
H13B H 1.0446 1.3525 1.4516 0.122 Uiso 1 1 calc R . .
H13C H 0.9546 1.4246 1.4281 0.122 Uiso 1 1 calc R . .
C14 C 0.7653(5) 1.2425(6) 1.4628(3) 0.124(3) Uani 1 1 d . . .
H14A H 0.7515 1.3164 1.4908 0.186 Uiso 1 1 calc R . .
H14B H 0.8125 1.2208 1.5039 0.186 Uiso 1 1 calc R . .
H14C H 0.6858 1.1926 1.4406 0.186 Uiso 1 1 calc R . .
C15 C 0.9122(6) 1.1079(4) 1.3314(5) 0.125(3) Uani 1 1 d . . .
H15A H 0.8474 1.0470 1.3269 0.188 Uiso 1 1 calc R . .
H15B H 0.9846 1.1103 1.3702 0.188 Uiso 1 1 calc R . .
H15C H 0.9350 1.0984 1.2753 0.188 Uiso 1 1 calc R . .
C16 C -0.0751(4) 1.1101(3) 0.7980(2) 0.0463(8) Uani 1 1 d . . .
C17 C -0.1612(4) 1.0763(3) 0.7401(2) 0.0535(9) Uani 1 1 d . . .
C18 C -0.3733(5) 1.1317(4) 0.6446(3) 0.0864(15) Uani 1 1 d . . .
H18A H -0.3983 1.1680 0.6996 0.130 Uiso 1 1 calc R . .
H18B H -0.4463 1.1017 0.6007 0.130 Uiso 1 1 calc R . .
H18C H -0.3165 1.1841 0.6305 0.130 Uiso 1 1 calc R . .
C19 C -0.2282(5) 0.9569(4) 0.5481(3) 0.0873(15) Uani 1 1 d . . .
H19A H -0.1684 1.0131 0.5402 0.131 Uiso 1 1 calc R . .
H19B H -0.2952 0.9280 0.4998 0.131 Uiso 1 1 calc R . .
H19C H -0.1872 0.8982 0.5518 0.131 Uiso 1 1 calc R . .
C20 C -0.4020(5) 0.9117(5) 0.6740(4) 0.0925(17) Uani 1 1 d . . .
H20A H -0.3599 0.8520 0.6736 0.139 Uiso 1 1 calc R . .
H20B H -0.4756 0.8837 0.6306 0.139 Uiso 1 1 calc R . .
H20C H -0.4262 0.9442 0.7299 0.139 Uiso 1 1 calc R . .
C21 C 0.5989(4) 0.8798(3) 1.1885(2) 0.0495(9) Uani 1 1 d . . .
H21 H 0.6128 0.9545 1.1960 0.059 Uiso 1 1 calc R . .
C22 C 0.4934(3) 0.8115(3) 1.1305(2) 0.0439(8) Uani 1 1 d . . .
C23 C 0.4773(4) 0.6996(3) 1.1202(3) 0.0583(10) Uani 1 1 d . . .
H23 H 0.4098 0.6490 1.0819 0.070 Uiso 1 1 calc R . .
C24 C 0.5615(3) 0.6651(3) 1.1670(3) 0.0576(10) Uani 1 1 d . . .
H24 H 0.5506 0.5907 1.1604 0.069 Uiso 1 1 calc R . .
C25 C 0.6620(3) 0.7391(3) 1.2236(2) 0.0405(7) Uani 1 1 d . . .
C26 C 0.7584(3) 0.7044(3) 1.2712(2) 0.0416(7) Uani 1 1 d . . .
C27 C 0.8605(4) 0.7794(3) 1.3257(3) 0.0660(11) Uani 1 1 d . . .
H27 H 0.8678 0.8546 1.3357 0.079 Uiso 1 1 calc R . .
C28 C 0.9514(4) 0.7420(4) 1.3649(3) 0.0843(15) Uani 1 1 d . . .
H28 H 1.0207 0.7916 1.4020 0.101 Uiso 1 1 calc R . .
C29 C 0.9392(4) 0.6305(4) 1.3490(3) 0.0684(12) Uani 1 1 d . . .
H29 H 1.0004 0.6029 1.3738 0.082 Uiso 1 1 calc R . .
C30 C 0.8345(4) 0.5618(3) 1.2957(3) 0.0627(10) Uani 1 1 d . . .
H30 H 0.8246 0.4866 1.2862 0.075 Uiso 1 1 calc R . .
C31 C 0.4096(3) 0.8552(3) 1.0844(2) 0.0462(8) Uani 1 1 d . . .
C32 C 0.3431(3) 0.8987(2) 1.0494(2) 0.0407(7) Uani 1 1 d . . .
C33 C -0.1710(3) 0.7595(3) 0.7954(2) 0.0492(8) Uani 1 1 d . . .
H33 H -0.1624 0.8359 0.8117 0.059 Uiso 1 1 calc R . .
C34 C -0.0756(3) 0.7194(3) 0.8300(2) 0.0416(7) Uani 1 1 d . . .
C35 C -0.0914(4) 0.6049(3) 0.8036(2) 0.0535(9) Uani 1 1 d . . .
H35 H -0.0302 0.5728 0.8235 0.064 Uiso 1 1 calc R . .
C36 C -0.1973(3) 0.5392(3) 0.7483(2) 0.0507(9) Uani 1 1 d . . .
H36 H -0.2083 0.4626 0.7314 0.061 Uiso 1 1 calc R . .
C37 C -0.2874(3) 0.5861(3) 0.7177(2) 0.0418(7) Uani 1 1 d . . .
C38 C -0.4038(3) 0.5176(3) 0.6591(2) 0.0467(8) Uani 1 1 d . . .
C39 C -0.4955(4) 0.5653(3) 0.6312(2) 0.0563(9) Uani 1 1 d . . .
H39 H -0.4850 0.6419 0.6486 0.068 Uiso 1 1 calc R . .
C40 C -0.6028(4) 0.4988(4) 0.5775(3) 0.0712(12) Uani 1 1 d . . .
H40 H -0.6657 0.5296 0.5580 0.085 Uiso 1 1 calc R . .
C41 C -0.6150(4) 0.3860(4) 0.5534(3) 0.0739(13) Uani 1 1 d . . .
H41 H -0.6863 0.3388 0.5170 0.089 Uiso 1 1 calc R . .
C42 C -0.5218(4) 0.3450(4) 0.5834(3) 0.0822(14) Uani 1 1 d . . .
H42 H -0.5313 0.2685 0.5668 0.099 Uiso 1 1 calc R . .
C43 C 0.0319(3) 0.7932(3) 0.8887(2) 0.0432(7) Uani 1 1 d . . .
C44 C 0.1212(3) 0.8625(2) 0.9347(2) 0.0387(7) Uani 1 1 d . . .
C45 C 0.8572(4) 0.3604(3) 0.9868(3) 0.0623(10) Uani 1 1 d . . .
H45A H 0.8091 0.2853 0.9652 0.075 Uiso 1 1 calc R . .
H45B H 0.9432 0.3583 1.0065 0.075 Uiso 1 1 calc R . .
Cl1 Cl 0.79371(11) 0.44238(9) 1.07303(7) 0.0723(3) Uani 1 1 d . . .
Cl2 Cl 0.85445(12) 0.41355(11) 0.90245(9) 0.0863(4) Uani 1 1 d . . .
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'
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
C44 Pt1 C32 92.65(13) . . ?
C44 Pt1 N2 94.14(12) . . ?
C32 Pt1 N2 173.15(11) . . ?
C44 Pt1 N1 173.16(11) . . ?
C32 Pt1 N1 94.18(12) . . ?
N2 Pt1 N1 79.04(10) . . ?
C14 Si1 C12 106.4(2) . . ?
C14 Si1 C15 111.8(4) . . ?
C12 Si1 C15 108.6(2) . . ?
C14 Si1 C13 111.1(3) . . ?
C12 Si1 C13 109.0(2) . . ?
C15 Si1 C13 109.9(3) . . ?
C17 Si2 C18 108.7(2) . . ?
C17 Si2 C20 107.4(2) . . ?
C18 Si2 C20 111.3(3) . . ?
C17 Si2 C19 107.6(2) . . ?
C18 Si2 C19 110.1(2) . . ?
C20 Si2 C19 111.7(3) . . ?
C1 N1 C5 119.5(3) . . ?
C1 N1 Pt1 125.6(2) . . ?
C5 N1 Pt1 114.8(2) . . ?
C10 N2 C6 118.3(3) . . ?
C10 N2 Pt1 125.8(2) . . ?
C6 N2 Pt1 115.8(2) . . ?
C21 N3 C25 118.0(3) . . ?
C30 N4 C26 118.0(3) . . ?
C33 N5 C37 117.6(3) . . ?
C42 N6 C38 117.4(4) . . ?
N1 C1 C2 123.0(3) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C1 C2 C3 117.6(3) . . ?
C1 C2 C11 118.2(3) . . ?
C3 C2 C11 124.1(3) . . ?
C4 C3 C2 119.6(3) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 120.4(3) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
N1 C5 C4 119.8(3) . . ?
N1 C5 C6 115.7(3) . . ?
C4 C5 C6 124.5(3) . . ?
N2 C6 C7 120.8(3) . . ?
N2 C6 C5 114.5(3) . . ?
C7 C6 C5 124.7(3) . . ?
C8 C7 C6 120.6(3) . . ?
C8 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
C7 C8 C9 119.7(3) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
C8 C9 C10 117.0(3) . . ?
C8 C9 C16 123.5(3) . . ?
C10 C9 C16 119.5(3) . . ?
N2 C10 C9 123.6(3) . . ?
N2 C10 H10 118.2 . . ?
C9 C10 H10 118.2 . . ?
C12 C11 C2 176.3(4) . . ?
C11 C12 Si1 175.0(4) . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C9 176.8(4) . . ?
C16 C17 Si2 177.7(3) . . ?
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 . . ?
N3 C21 C22 125.3(3) . . ?
N3 C21 H21 117.3 . . ?
C22 C21 H21 117.3 . . ?
C21 C22 C23 115.4(3) . . ?
C21 C22 C31 121.2(3) . . ?
C23 C22 C31 123.4(3) . . ?
C24 C23 C22 119.6(3) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C23 C24 C25 120.8(3) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
N3 C25 C24 120.9(3) . . ?
N3 C25 C26 116.5(3) . . ?
C24 C25 C26 122.5(3) . . ?
N4 C26 C27 121.5(3) . . ?
N4 C26 C25 116.9(3) . . ?
C27 C26 C25 121.6(3) . . ?
C28 C27 C26 119.3(4) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
C27 C28 C29 119.5(4) . . ?
C27 C28 H28 120.3 . . ?
C29 C28 H28 120.3 . . ?
C30 C29 C28 117.7(4) . . ?
C30 C29 H29 121.1 . . ?
C28 C29 H29 121.1 . . ?
N4 C30 C29 124.0(4) . . ?
N4 C30 H30 118.0 . . ?
C29 C30 H30 118.0 . . ?
C32 C31 C22 175.8(4) . . ?
C31 C32 Pt1 171.9(3) . . ?
N5 C33 C34 125.1(3) . . ?
N5 C33 H33 117.4 . . ?
C34 C33 H33 117.4 . . ?
C35 C34 C33 115.8(3) . . ?
C35 C34 C43 123.0(3) . . ?
C33 C34 C43 121.3(3) . . ?
C36 C35 C34 120.0(3) . . ?
C36 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C35 C36 C37 120.3(3) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
N5 C37 C36 121.2(3) . . ?
N5 C37 C38 117.1(3) . . ?
C36 C37 C38 121.7(3) . . ?
N6 C38 C39 121.7(3) . . ?
N6 C38 C37 117.0(3) . . ?
C39 C38 C37 121.4(3) . . ?
C38 C39 C40 119.6(4) . . ?
C38 C39 H39 120.2 . . ?
C40 C39 H39 120.2 . . ?
C41 C40 C39 118.5(4) . . ?
C41 C40 H40 120.8 . . ?
C39 C40 H40 120.8 . . ?
C42 C41 C40 118.8(4) . . ?
C42 C41 H41 120.6 . . ?
C40 C41 H41 120.6 . . ?
N6 C42 C41 124.1(4) . . ?
N6 C42 H42 117.9 . . ?
C41 C42 H42 117.9 . . ?
C44 C43 C34 174.0(4) . . ?
C43 C44 Pt1 171.6(3) . . ?
Cl1 C45 Cl2 110.6(2) . . ?
Cl1 C45 H45A 109.5 . . ?
Cl2 C45 H45A 109.5 . . ?
Cl1 C45 H45B 109.5 . . ?
Cl2 C45 H45B 109.5 . . ?
H45A C45 H45B 108.1 . . ?
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 C44 1.937(3) . ?
Pt1 C32 1.943(3) . ?
Pt1 N2 2.058(3) . ?
Pt1 N1 2.063(3) . ?
Si1 C14 1.833(5) . ?
Si1 C12 1.837(4) . ?
Si1 C15 1.841(5) . ?
Si1 C13 1.841(4) . ?
Si2 C17 1.839(4) . ?
Si2 C18 1.847(5) . ?
Si2 C20 1.861(5) . ?
Si2 C19 1.875(4) . ?
N1 C1 1.333(4) . ?
N1 C5 1.372(4) . ?
N2 C10 1.341(4) . ?
N2 C6 1.369(4) . ?
N3 C21 1.327(4) . ?
N3 C25 1.344(4) . ?
N4 C30 1.333(5) . ?
N4 C26 1.340(4) . ?
N5 C33 1.335(4) . ?
N5 C37 1.349(4) . ?
N6 C42 1.336(5) . ?
N6 C38 1.343(5) . ?
C1 C2 1.394(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.398(5) . ?
C2 C11 1.430(5) . ?
C3 C4 1.372(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.394(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.458(4) . ?
C6 C7 1.381(4) . ?
C7 C8 1.371(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.396(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.400(4) . ?
C9 C16 1.429(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.193(5) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.191(5) . ?
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 C22 1.395(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.397(5) . ?
C22 C31 1.439(5) . ?
C23 C24 1.372(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.375(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.471(4) . ?
C26 C27 1.379(5) . ?
C27 C28 1.374(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.375(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.362(6) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.207(5) . ?
C33 C34 1.393(5) . ?
C33 H33 0.9300 . ?
C34 C35 1.388(4) . ?
C34 C43 1.436(5) . ?
C35 C36 1.372(5) . ?
C35 H35 0.9300 . ?
C36 C37 1.376(5) . ?
C36 H36 0.9300 . ?
C37 C38 1.481(5) . ?
C38 C39 1.375(5) . ?
C39 C40 1.376(5) . ?
C39 H39 0.9300 . ?
C40 C41 1.374(6) . ?
C40 H40 0.9300 . ?
C41 C42 1.347(6) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C44 1.216(5) . ?
C45 Cl1 1.741(4) . ?
C45 Cl2 1.767(4) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
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
C3 H3 N4 0.93 2.62 3.546(5) 174.8 1_565
C23 H23 Cl2 0.93 2.93 3.625(4) 132.6 2_667
C45 H45A Cg1 0.97 2.58 3.502 158.8 2_667
