#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179322 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/19/4321937.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_4321937
loop_
_publ_author_name
'Michael C. Janzen'
'Hilary A. Jenkins'
'Louis M. Rendina'
'Jagadese J. Vittal'
'Richard J. Puddephatt'
_publ_section_title
;
 Synthesis of Metallacycles by Oxidative Addition of Sn-S, Sn-Se, Sn-Te,
 and Ge-Te Containing Precursors to Platinum(II)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2123
_journal_page_last               2130
_journal_paper_doi               10.1021/ic980862p
_journal_volume                  38
_journal_year                    1999
_chemical_formula_moiety
'[Pt(bipy-Bu^t^)Me~2~(Se~2~(SnMe~2~)~2~] Me~2~CO'
_chemical_formula_sum            'C27 H48 N2 O Pt Se2 Sn2'
_chemical_formula_weight         1007.06
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 103.78
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.5740(10)
_cell_length_b                   13.3120(10)
_cell_length_c                   19.142(2)
_cell_measurement_reflns_used    47
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13.50
_cell_measurement_theta_min      12.37
_cell_volume                     3606.8(5)
_computing_cell_refinement       'XSCANS Ver. 2.1 (Siemens, 1994)'
_computing_data_collection       'XSCANS Ver. 2.1 (Siemens, 1994)'
_computing_data_reduction        'XSCANS Ver. 2.1 (Siemens, 1994)'
_computing_molecular_graphics    'SHELXTL Ver. 5.0 (Siemens, 1994)'
_computing_publication_material  'SHELXTL Ver. 5.0 (Siemens, 1994)'
_computing_structure_refinement  'SHELXTL Ver. 5.0 (Siemens, 1994)'
_computing_structure_solution    'SHELXTL Ver. 5.0 (Siemens, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       'ω-2θ 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  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0615
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            10169
_diffrn_reflns_theta_max         28.50
_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        12.81
_diffrn_standards_interval_count 297
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.281
_exptl_absorpt_correction_T_max  0.04710
_exptl_absorpt_correction_T_min  0.01868
_exptl_absorpt_correction_type   'empirical psi-scans (Siemens, 1994)'
_exptl_crystal_colour            'dark brownish red'
_exptl_crystal_density_diffrn    1.855
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'big rock cut'
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.34
_refine_diff_density_max         0.769
_refine_diff_density_min         -0.704
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       0.00028(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.877
_refine_ls_goodness_of_fit_obs   1.022
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         9046
_refine_ls_number_restraints     87
_refine_ls_restrained_S_all      0.881
_refine_ls_restrained_S_obs      1.023
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_obs          0.0324
_refine_ls_shift/esd_max         0.018
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0200P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0708
_refine_ls_wR_factor_obs         0.0652
_reflns_number_observed          5770
_reflns_number_total             9047
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic980862p_1.cif
_cod_data_source_block           janzen1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0200P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0200P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4321937
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt1 Pt -0.068897(14) 0.225229(15) 0.045648(10) 0.04605(6) Uani 1 d . .
Sn1 Sn -0.21217(3) 0.13716(3) 0.07294(2) 0.05820(10) Uani 1 d . .
Se2 Se -0.19786(5) 0.11820(5) 0.20843(3) 0.0747(2) Uani 1 d . .
Sn2 Sn -0.08744(3) 0.26473(3) 0.24966(2) 0.05954(11) Uani 1 d . .
Se1 Se -0.06488(4) 0.35737(4) 0.14272(3) 0.05894(15) Uani 1 d . .
C1 C -0.0736(4) 0.1252(4) -0.0380(3) 0.069(2) Uani 1 d . .
H1A H -0.0336(23) 0.0687(15) -0.0209(6) 0.104 Uiso 1 calc R .
H1B H -0.0520(27) 0.1580(10) -0.0758(10) 0.104 Uiso 1 calc R .
H1C H -0.1374(7) 0.1025(23) -0.0562(14) 0.104 Uiso 1 calc R .
C2 C -0.1663(4) 0.3093(5) -0.0257(3) 0.069(2) Uani 1 d . .
H2A H -0.1344(5) 0.3597(20) -0.0469(16) 0.103 Uiso 1 calc R .
H2B H -0.2085(18) 0.3411(25) -0.0009(5) 0.103 Uiso 1 calc R .
H2C H -0.2018(20) 0.2664(7) -0.0628(13) 0.103 Uiso 1 calc R .
N1 N 0.0448(3) 0.1422(3) 0.1120(2) 0.0480(10) Uani 1 d . .
C3 C 0.0366(4) 0.0649(4) 0.1544(2) 0.0535(12) Uani 1 d . .
H3 H -0.0237(4) 0.0450(4) 0.1569(2) 0.064 Uiso 1 calc R .
C4 C 0.1131(4) 0.0129(4) 0.1948(3) 0.0558(13) Uani 1 d . .
H4 H 0.1031(4) -0.0411(4) 0.2229(3) 0.067 Uiso 1 calc R .
C5 C 0.2034(4) 0.0404(4) 0.1939(2) 0.0518(13) Uani 1 d D .
C6 C 0.2109(4) 0.1213(4) 0.1507(2) 0.0537(13) Uani 1 d . .
H6 H 0.2708(4) 0.1437(4) 0.1489(2) 0.064 Uiso 1 calc R .
C7 C 0.1327(4) 0.1703(4) 0.1098(2) 0.0465(11) Uani 1 d . .
N2 N 0.0586(3) 0.2950(3) 0.0238(2) 0.0503(10) Uani 1 d . .
C8 C 0.1409(4) 0.2533(4) 0.0601(2) 0.0479(12) Uani 1 d . .
C9 C 0.2268(4) 0.2883(4) 0.0505(3) 0.0533(13) Uani 1 d . .
H9 H 0.2826(4) 0.2609(4) 0.0778(3) 0.064 Uiso 1 calc R .
C10 C 0.2313(4) 0.3634(4) 0.0010(3) 0.0541(13) Uani 1 d D .
C11 C 0.1458(4) 0.4050(4) -0.0342(3) 0.0601(14) Uani 1 d . .
H11 H 0.1446(4) 0.4576(4) -0.0664(3) 0.072 Uiso 1 calc R .
C12 C 0.0629(4) 0.3692(4) -0.0220(3) 0.0578(13) Uani 1 d . .
H12 H 0.0066(4) 0.3983(4) -0.0470(3) 0.069 Uiso 1 calc R .
C13 C 0.2913(4) -0.0133(4) 0.2373(3) 0.0614(14) Uani 1 d D .
C14 C 0.3150(9) 0.0297(10) 0.3128(5) 0.073(4) Uiso 0.50 d PD 1
H14A H 0.2638(29) 0.0169(60) 0.3351(18) 0.110 Uiso 0.50 calc PR 1
H14B H 0.3248(62) 0.1008(14) 0.3106(6) 0.110 Uiso 0.50 calc PR 1
H14C H 0.3715(36) -0.0015(49) 0.3404(15) 0.110 Uiso 0.50 calc PR 1
C15 C 0.3775(8) -0.0030(11) 0.2030(7) 0.083(5) Uiso 0.50 d PD 1
H15A H 0.3614(23) -0.0296(62) 0.1551(19) 0.124 Uiso 0.50 calc PR 1
H15B H 0.4301(21) -0.0396(56) 0.2314(28) 0.124 Uiso 0.50 calc PR 1
H15C H 0.3941(39) 0.0666(12) 0.2016(43) 0.124 Uiso 0.50 calc PR 1
C16 C 0.2738(10) -0.1281(8) 0.2422(8) 0.083(5) Uiso 0.50 d PD 1
H16A H 0.2532(63) -0.1555(15) 0.1946(8) 0.125 Uiso 0.50 calc PR 1
H16B H 0.2262(46) -0.1393(8) 0.2684(43) 0.125 Uiso 0.50 calc PR 1
H16C H 0.3314(18) -0.1605(12) 0.2667(43) 0.125 Uiso 0.50 calc PR 1
C14A C 0.3404(9) 0.0594(10) 0.2979(6) 0.077(4) Uiso 0.50 d PD 2
H14D H 0.3536(58) 0.1218(26) 0.2772(7) 0.115 Uiso 0.50 calc PR 2
H14E H 0.3984(32) 0.0300(31) 0.3245(30) 0.115 Uiso 0.50 calc PR 2
H14F H 0.2995(27) 0.0714(53) 0.3297(28) 0.115 Uiso 0.50 calc PR 2
C15A C 0.3564(8) -0.0388(11) 0.1877(7) 0.070(4) Uiso 0.50 d PD 2
H15D H 0.3734(46) 0.0218(13) 0.1666(34) 0.105 Uiso 0.50 calc PR 2
H15E H 0.3243(23) -0.0832(50) 0.1503(27) 0.105 Uiso 0.50 calc PR 2
H15F H 0.4125(28) -0.0710(55) 0.2150(11) 0.105 Uiso 0.50 calc PR 2
C16A C 0.2654(11) -0.1112(9) 0.2681(8) 0.083(4) Uiso 0.50 d PD 2
H16D H 0.3219(11) -0.1474(32) 0.2900(43) 0.124 Uiso 0.50 calc PR 2
H16E H 0.2274(55) -0.1511(32) 0.2303(12) 0.124 Uiso 0.50 calc PR 2
H16F H 0.2304(57) -0.0973(10) 0.3036(37) 0.124 Uiso 0.50 calc PR 2
C17 C 0.3265(4) 0.4007(4) -0.0094(3) 0.0647(15) Uani 1 d D .
C18 C 0.3687(5) 0.4750(5) 0.0515(4) 0.098(2) Uani 1 d D .
H18A H 0.4296(17) 0.4968(31) 0.0467(17) 0.148 Uiso 1 calc R .
H18B H 0.3750(35) 0.4424(13) 0.0972(4) 0.148 Uiso 1 calc R .
H18C H 0.3276(19) 0.5320(19) 0.0486(18) 0.148 Uiso 1 calc R .
C19 C 0.3943(5) 0.3130(5) -0.0071(4) 0.097(2) Uani 1 d D .
H19A H 0.4080(30) 0.2832(26) 0.0399(9) 0.145 Uiso 1 calc R .
H19B H 0.4518(15) 0.3369(8) -0.0175(28) 0.145 Uiso 1 calc R .
H19C H 0.3658(15) 0.2638(19) -0.0423(20) 0.145 Uiso 1 calc R .
C20 C 0.3139(5) 0.4547(6) -0.0820(3) 0.113(3) Uani 1 d D .
H20A H 0.3748(5) 0.4693(42) -0.0906(16) 0.170 Uiso 1 calc R .
H20B H 0.2799(38) 0.5163(23) -0.0811(12) 0.170 Uiso 1 calc R .
H20C H 0.2792(38) 0.4124(20) -0.1198(5) 0.170 Uiso 1 calc R .
C21 C -0.2252(6) -0.0192(5) 0.0407(4) 0.106(3) Uani 1 d . .
H21A H -0.1735(21) -0.0567(9) 0.0693(21) 0.160 Uiso 1 calc R .
H21B H -0.2244(41) -0.0246(6) -0.0092(9) 0.160 Uiso 1 calc R .
H21C H -0.2837(19) -0.0457(12) 0.0477(28) 0.160 Uiso 1 calc R .
C22 C -0.3484(5) 0.2029(7) 0.0321(4) 0.116(3) Uani 1 d . .
H22A H -0.3490(14) 0.2697(18) 0.0508(26) 0.174 Uiso 1 calc R .
H22B H -0.3955(7) 0.1630(26) 0.0466(28) 0.174 Uiso 1 calc R .
H22C H -0.3617(19) 0.2055(43) -0.0195(4) 0.174 Uiso 1 calc R .
C23 C 0.0376(5) 0.2010(5) 0.3175(3) 0.087(2) Uani 1 d . .
H23A H 0.0865(12) 0.1980(34) 0.2916(10) 0.131 Uiso 1 calc R .
H23B H 0.0241(10) 0.1345(15) 0.3316(22) 0.131 Uiso 1 calc R .
H23C H 0.0582(21) 0.2421(21) 0.3595(13) 0.131 Uiso 1 calc R .
C24 C -0.1456(6) 0.3669(6) 0.3143(3) 0.106(3) Uani 1 d . .
H24A H -0.1748(34) 0.3295(6) 0.3461(21) 0.158 Uiso 1 calc R .
H24B H -0.1919(29) 0.4087(29) 0.2837(4) 0.158 Uiso 1 calc R .
H24C H -0.0960(9) 0.4081(28) 0.3420(23) 0.158 Uiso 1 calc R .
O1 O 0.4373(6) 0.2681(8) 0.1975(5) 0.084(3) Uiso 0.50 d PG 3
C25 C 0.5179(6) 0.2769(6) 0.2240(4) 0.075(3) Uiso 0.50 d PG 3
C26 C 0.5871(8) 0.3385(12) 0.1897(7) 0.117(6) Uiso 0.50 d PG 3
H26A H 0.6461(8) 0.3470(15) 0.2244(10) 0.176 Uiso 0.50 d PG 3
H26B H 0.5601(12) 0.4031(12) 0.1751(10) 0.176 Uiso 0.50 d PG 3
H26C H 0.5976(11) 0.3032(18) 0.1486(8) 0.176 Uiso 0.50 d PG 3
C27 C 0.5646(9) 0.2467(12) 0.3018(5) 0.133(7) Uiso 0.50 d PG 3
H27A H 0.6113(10) 0.2958(15) 0.3227(6) 0.199 Uiso 0.50 d PG 3
H27B H 0.5942(11) 0.1823(13) 0.3020(9) 0.199 Uiso 0.50 d PG 3
H27C H 0.5175(12) 0.2432(17) 0.3292(5) 0.199 Uiso 0.50 d PG 3
O1A O 0.5763(13) 0.3570(14) 0.2244(10) 0.220(7) Uiso 0.50 d PG 4
C25A C 0.5387(10) 0.2800(14) 0.2367(7) 0.220(7) Uiso 0.50 d PG 4
C26A C 0.5647(18) 0.1767(15) 0.2719(13) 0.220(7) Uiso 0.50 d PG 4
H26D H 0.5154(24) 0.1545(20) 0.2936(15) 0.330 Uiso 0.50 d PG 4
H26E H 0.6228(22) 0.1820(21) 0.3080(16) 0.330 Uiso 0.50 d PG 4
H26F H 0.5723(23) 0.1292(13) 0.2359(18) 0.330 Uiso 0.50 d PG 4
C27A C 0.4421(14) 0.2501(21) 0.1915(17) 0.220(7) Uiso 0.50 d PG 4
H27D H 0.4022(13) 0.2307(26) 0.2226(24) 0.330 Uiso 0.50 d PG 4
H27E H 0.4488(24) 0.1947(22) 0.1610(15) 0.330 Uiso 0.50 d PG 4
H27F H 0.4143(16) 0.3061(25) 0.1624(20) 0.330 Uiso 0.50 d PG 4
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
C2 Pt1 C1 86.9(2) . . ?
C2 Pt1 N1 172.8(2) . . ?
C1 Pt1 N1 90.3(2) . . ?
C2 Pt1 N2 97.2(2) . . ?
C1 Pt1 N2 89.9(2) . . ?
N1 Pt1 N2 76.18(15) . . ?
C2 Pt1 Se1 90.1(2) . . ?
C1 Pt1 Se1 176.3(2) . . ?
N1 Pt1 Se1 92.51(10) . . ?
N2 Pt1 Se1 88.48(10) . . ?
C2 Pt1 Sn1 85.2(2) . . ?
C1 Pt1 Sn1 89.1(2) . . ?
N1 Pt1 Sn1 101.37(11) . . ?
N2 Pt1 Sn1 177.37(10) . . ?
Se1 Pt1 Sn1 92.61(2) . . ?
C22 Sn1 C21 106.1(3) . . ?
C22 Sn1 Pt1 118.0(2) . . ?
C21 Sn1 Pt1 113.8(2) . . ?
C22 Sn1 Se2 104.8(2) . . ?
C21 Sn1 Se2 100.0(2) . . ?
Pt1 Sn1 Se2 112.23(2) . . ?
Sn2 Se2 Sn1 97.58(2) . . ?
C24 Sn2 C23 107.3(3) . . ?
C24 Sn2 Se1 108.0(2) . . ?
C23 Sn2 Se1 115.8(2) . . ?
C24 Sn2 Se2 111.1(2) . . ?
C23 Sn2 Se2 105.6(2) . . ?
Se1 Sn2 Se2 109.00(2) . . ?
Sn2 Se1 Pt1 105.91(2) . . ?
C3 N1 C7 117.3(4) . . ?
C3 N1 Pt1 126.2(4) . . ?
C7 N1 Pt1 116.6(3) . . ?
N1 C3 C4 123.3(5) . . ?
C5 C4 C3 120.6(5) . . ?
C4 C5 C6 115.5(5) . . ?
C4 C5 C13 123.5(5) . . ?
C6 C5 C13 121.0(5) . . ?
C5 C6 C7 122.4(5) . . ?
N1 C7 C6 121.0(5) . . ?
N1 C7 C8 116.8(4) . . ?
C6 C7 C8 122.2(5) . . ?
C12 N2 C8 117.8(5) . . ?
C12 N2 Pt1 127.7(4) . . ?
C8 N2 Pt1 114.5(3) . . ?
N2 C8 C9 120.7(4) . . ?
N2 C8 C7 116.0(4) . . ?
C9 C8 C7 123.3(5) . . ?
C8 C9 C10 121.5(5) . . ?
C11 C10 C9 115.9(5) . . ?
C11 C10 C17 123.2(5) . . ?
C9 C10 C17 120.8(5) . . ?
C12 C11 C10 120.5(5) . . ?
N2 C12 C11 123.5(5) . . ?
C14 C13 C5 108.2(6) . . ?
C16A C13 C5 111.0(7) . . ?
C16A C13 C15A 107.5(9) . . ?
C5 C13 C15A 109.3(6) . . ?
C16A C13 C14A 111.0(8) . . ?
C5 C13 C14A 107.0(6) . . ?
C15A C13 C14A 111.1(9) . . ?
C14 C13 C15 110.2(8) . . ?
C5 C13 C15 112.8(6) . . ?
C14 C13 C16 108.4(8) . . ?
C5 C13 C16 111.4(7) . . ?
C15 C13 C16 105.8(8) . . ?
C19 C17 C10 110.5(5) . . ?
C19 C17 C20 108.7(5) . . ?
C10 C17 C20 110.6(5) . . ?
C19 C17 C18 109.3(5) . . ?
C10 C17 C18 108.7(5) . . ?
C20 C17 C18 108.9(5) . . ?
O1 C25 C27 124.2 . . ?
O1 C25 C26 123.6 . . ?
C27 C25 C26 111.3 . . ?
O1A C25A C27A 120.8 . . ?
O1A C25A C26A 139.9 . . ?
C27A C25A C26A 96.6 . . ?
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 C2 2.052(5) . ?
Pt1 C1 2.072(5) . ?
Pt1 N1 2.140(4) . ?
Pt1 N2 2.204(4) . ?
Pt1 Se1 2.5493(6) . ?
Pt1 Sn1 2.5548(5) . ?
Sn1 C22 2.140(7) . ?
Sn1 C21 2.167(6) . ?
Sn1 Se2 2.5645(7) . ?
Se2 Sn2 2.5322(8) . ?
Sn2 C24 2.144(6) . ?
Sn2 C23 2.144(6) . ?
Sn2 Se1 2.4779(7) . ?
N1 C3 1.334(6) . ?
N1 C7 1.344(6) . ?
C3 C4 1.382(7) . ?
C4 C5 1.370(7) . ?
C5 C6 1.379(7) . ?
C5 C13 1.528(7) . ?
C6 C7 1.383(6) . ?
C7 C8 1.481(6) . ?
N2 C12 1.333(6) . ?
N2 C8 1.354(6) . ?
C8 C9 1.388(7) . ?
C9 C10 1.390(7) . ?
C10 C11 1.383(7) . ?
C10 C17 1.530(7) . ?
C11 C12 1.369(7) . ?
C13 C14 1.516(10) . ?
C13 C16A 1.516(12) . ?
C13 C15A 1.532(11) . ?
C13 C14A 1.549(11) . ?
C13 C15 1.554(11) . ?
C13 C16 1.556(11) . ?
C17 C19 1.523(8) . ?
C17 C20 1.538(7) . ?
C17 C18 1.540(8) . ?
O1 C25 1.17 . ?
C25 C27 1.54 . ?
C25 C26 1.56 . ?
O1A C25A 1.21 . ?
C25A C27A 1.52 . ?
C25A C26A 1.54 . ?
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
C2 Pt1 Sn1 C22 -11.6(3) . . . . ?
C1 Pt1 Sn1 C22 -98.5(3) . . . . ?
N1 Pt1 Sn1 C22 171.4(3) . . . . ?
N2 Pt1 Sn1 C22 -167.3(22) . . . . ?
Se1 Pt1 Sn1 C22 78.3(3) . . . . ?
C2 Pt1 Sn1 C21 113.8(3) . . . . ?
C1 Pt1 Sn1 C21 26.9(3) . . . . ?
N1 Pt1 Sn1 C21 -63.3(3) . . . . ?
N2 Pt1 Sn1 C21 -41.9(22) . . . . ?
Se1 Pt1 Sn1 C21 -156.4(2) . . . . ?
C2 Pt1 Sn1 Se2 -133.5(2) . . . . ?
C1 Pt1 Sn1 Se2 139.5(2) . . . . ?
N1 Pt1 Sn1 Se2 49.41(11) . . . . ?
N2 Pt1 Sn1 Se2 70.7(21) . . . . ?
Se1 Pt1 Sn1 Se2 -43.68(3) . . . . ?
C22 Sn1 Se2 Sn2 -103.9(3) . . . . ?
C21 Sn1 Se2 Sn2 146.3(2) . . . . ?
Pt1 Sn1 Se2 Sn2 25.33(3) . . . . ?
Sn1 Se2 Sn2 C24 124.6(2) . . . . ?
Sn1 Se2 Sn2 C23 -119.4(2) . . . . ?
Sn1 Se2 Sn2 Se1 5.73(3) . . . . ?
C24 Sn2 Se1 Pt1 -155.1(2) . . . . ?
C23 Sn2 Se1 Pt1 84.5(2) . . . . ?
Se2 Sn2 Se1 Pt1 -34.37(3) . . . . ?
C2 Pt1 Se1 Sn2 129.7(2) . . . . ?
C1 Pt1 Se1 Sn2 162.9(27) . . . . ?
N1 Pt1 Se1 Sn2 -57.04(11) . . . . ?
N2 Pt1 Se1 Sn2 -133.13(10) . . . . ?
Sn1 Pt1 Se1 Sn2 44.47(2) . . . . ?
C2 Pt1 N1 C3 -155.4(15) . . . . ?
C1 Pt1 N1 C3 -88.6(4) . . . . ?
N2 Pt1 N1 C3 -178.5(4) . . . . ?
Se1 Pt1 N1 C3 93.7(4) . . . . ?
Sn1 Pt1 N1 C3 0.5(4) . . . . ?
C2 Pt1 N1 C7 23.8(17) . . . . ?
C1 Pt1 N1 C7 90.6(4) . . . . ?
N2 Pt1 N1 C7 0.7(3) . . . . ?
Se1 Pt1 N1 C7 -87.1(3) . . . . ?
Sn1 Pt1 N1 C7 179.7(3) . . . . ?
C7 N1 C3 C4 -0.7(7) . . . . ?
Pt1 N1 C3 C4 178.5(4) . . . . ?
N1 C3 C4 C5 1.1(8) . . . . ?
C3 C4 C5 C6 -0.1(7) . . . . ?
C3 C4 C5 C13 179.9(4) . . . . ?
C4 C5 C6 C7 -1.2(7) . . . . ?
C13 C5 C6 C7 178.8(4) . . . . ?
C3 N1 C7 C6 -0.7(7) . . . . ?
Pt1 N1 C7 C6 -179.9(3) . . . . ?
C3 N1 C7 C8 177.4(4) . . . . ?
Pt1 N1 C7 C8 -1.8(5) . . . . ?
C5 C6 C7 N1 1.7(7) . . . . ?
C5 C6 C7 C8 -176.3(4) . . . . ?
C2 Pt1 N2 C12 0.8(5) . . . . ?
C1 Pt1 N2 C12 87.6(4) . . . . ?
N1 Pt1 N2 C12 177.9(4) . . . . ?
Se1 Pt1 N2 C12 -89.1(4) . . . . ?
Sn1 Pt1 N2 C12 156.4(19) . . . . ?
C2 Pt1 N2 C8 -176.6(3) . . . . ?
C1 Pt1 N2 C8 -89.8(4) . . . . ?
N1 Pt1 N2 C8 0.6(3) . . . . ?
Se1 Pt1 N2 C8 93.5(3) . . . . ?
Sn1 Pt1 N2 C8 -21.0(24) . . . . ?
C12 N2 C8 C9 1.0(7) . . . . ?
Pt1 N2 C8 C9 178.7(4) . . . . ?
C12 N2 C8 C7 -179.3(4) . . . . ?
Pt1 N2 C8 C7 -1.7(5) . . . . ?
N1 C7 C8 N2 2.4(6) . . . . ?
C6 C7 C8 N2 -179.6(4) . . . . ?
N1 C7 C8 C9 -178.0(5) . . . . ?
C6 C7 C8 C9 0.1(7) . . . . ?
N2 C8 C9 C10 -3.2(8) . . . . ?
C7 C8 C9 C10 177.1(4) . . . . ?
C8 C9 C10 C11 4.0(7) . . . . ?
C8 C9 C10 C17 -179.6(5) . . . . ?
C9 C10 C11 C12 -2.8(8) . . . . ?
C17 C10 C11 C12 -179.1(5) . . . . ?
C8 N2 C12 C11 0.2(8) . . . . ?
Pt1 N2 C12 C11 -177.1(4) . . . . ?
C10 C11 C12 N2 0.8(9) . . . . ?
C4 C5 C13 C14 -84.0(8) . . . . ?
C6 C5 C13 C14 96.0(7) . . . . ?
C4 C5 C13 C16A 11.6(9) . . . . ?
C6 C5 C13 C16A -168.4(7) . . . . ?
C4 C5 C13 C15A 130.0(8) . . . . ?
C6 C5 C13 C15A -50.0(8) . . . . ?
C4 C5 C13 C14A -109.7(8) . . . . ?
C6 C5 C13 C14A 70.3(8) . . . . ?
C4 C5 C13 C15 153.9(7) . . . . ?
C6 C5 C13 C15 -26.1(8) . . . . ?
C4 C5 C13 C16 35.0(9) . . . . ?
C6 C5 C13 C16 -145.0(7) . . . . ?
C11 C10 C17 C19 -143.7(5) . . . . ?
C9 C10 C17 C19 40.1(7) . . . . ?
C11 C10 C17 C20 -23.2(8) . . . . ?
C9 C10 C17 C20 160.6(5) . . . . ?
C11 C10 C17 C18 96.3(6) . . . . ?
C9 C10 C17 C18 -79.9(6) . . . . ?
