#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:41:29 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178529 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/34/4063401.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_4063401
loop_
_publ_author_name
'Braunschweig, Holger'
'Dörfler, Rainer'
'Gruss, Katrin'
'Köhler, Julia'
'Radacki, Krzysztof'
_publ_section_title
;
 Insertion vs Ligand Exchange: Reactivity of DistannaAnsaHalf-Sandwich
 Complexes of Molybdenum and Tungsten toward Isocyanide and Phosphine
 Complexes of Nickel and Palladium
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              305
_journal_page_last               312
_journal_paper_doi               10.1021/om101049d
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C28 H49 Mo N O2 Se Sn2'
_chemical_formula_sum            'C28 H49 Mo N O2 Se Sn2'
_chemical_formula_weight         843.96
_chemical_name_common
;
?
;
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.9040(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.7809(6)
_cell_length_b                   12.3651(4)
_cell_length_c                   30.3829(11)
_cell_measurement_reflns_used    9969
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.55
_cell_volume                     6877.6(4)
_computing_cell_refinement       'Saint+ ver. 7.53A (Bruker AXS)'
_computing_data_collection       'APEX2 ver. 2008.3 (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.53A (Bruker AXS)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            100224
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    2.881
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs 2008/1 (Brucker 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3328
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.585
_refine_diff_density_min         -0.949
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     656
_refine_ls_number_reflns         16900
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0244
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0140P)²+5.6132P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0487
_refine_ls_wR_factor_ref         0.0529
_reflns_number_gt                14117
_reflns_number_total             16900
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om101049d_si_001.cif
_cod_data_source_block           13
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4063401
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_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
Mo1 Mo 0.955228(10) 0.110086(16) 0.156349(7) 0.01185(5) Uani 1 1 d . A .
C1 C 0.94100(13) -0.0111(2) 0.19607(9) 0.0186(5) Uani 1 1 d . . .
O1 O 0.93715(10) -0.08458(15) 0.21896(6) 0.0272(4) Uani 1 1 d . . .
C2 C 0.88718(13) 0.07174(19) 0.09932(9) 0.0180(5) Uani 1 1 d . . .
O2 O 0.85424(10) 0.04715(16) 0.06404(6) 0.0277(4) Uani 1 1 d . . .
C1A C 1.00643(12) -0.01190(16) 0.13017(8) 0.0180(5) Uani 1 1 d D . .
N2_1 N 1.0390(4) -0.0737(5) 0.1137(3) 0.0227(8) Uani 0.564(7) 1 d PGD A 1
C3_1 C 1.0712(2) -0.1257(3) 0.07945(16) 0.0234(8) Uani 0.564(7) 1 d PGU A 1
C4_1 C 1.0841(4) -0.0342(5) 0.0495(3) 0.0363(12) Uani 0.564(7) 1 d PGU A 1
H4A_1 H 1.0372 -0.0018 0.0348 0.054 Uiso 0.564(7) 1 d PG A 1
H4B_1 H 1.1085 -0.0619 0.0265 0.054 Uiso 0.564(7) 1 d PG A 1
H4C_1 H 1.1150 0.0206 0.0678 0.054 Uiso 0.564(7) 1 d PG A 1
C5_1 C 1.1427(3) -0.1802(5) 0.10064(15) 0.0433(13) Uani 0.564(7) 1 d PGU A 1
H5A_1 H 1.1760 -0.1272 0.1184 0.065 Uiso 0.564(7) 1 d PG A 1
H5B_1 H 1.1646 -0.2100 0.0769 0.065 Uiso 0.564(7) 1 d PG A 1
H5C_1 H 1.1337 -0.2388 0.1204 0.065 Uiso 0.564(7) 1 d PG A 1
C6_1 C 1.0160(3) -0.2056(4) 0.0541(2) 0.0421(13) Uani 0.564(7) 1 d PGU A 1
H6A_1 H 1.0094 -0.2644 0.0745 0.063 Uiso 0.564(7) 1 d PG A 1
H6B_1 H 1.0337 -0.2354 0.0286 0.063 Uiso 0.564(7) 1 d PG A 1
H6C_1 H 0.9693 -0.1688 0.0429 0.063 Uiso 0.564(7) 1 d PG A 1
N2_20 N 1.0323(5) -0.0843(7) 0.1149(3) 0.0227(8) Uani 0.436(7) 1 d PGD A 2
C3_20 C 1.0549(3) -0.1299(3) 0.0758(2) 0.0234(8) Uani 0.436(7) 1 d PGU A 2
C4_20 C 1.0893(5) -0.0541(7) 0.0479(4) 0.0363(12) Uani 0.436(7) 1 d PGU A 2
H4A_20 H 1.0520 -0.0054 0.0308 0.054 Uiso 0.436(7) 1 d PG A 2
H4B_20 H 1.1111 -0.0959 0.0268 0.054 Uiso 0.436(7) 1 d PG A 2
H4C_20 H 1.1274 -0.0115 0.0678 0.054 Uiso 0.436(7) 1 d PG A 2
C5_20 C 1.1110(4) -0.2093(5) 0.10048(19) 0.0433(13) Uani 0.436(7) 1 d PGU A 2
H5A_20 H 1.1512 -0.1697 0.1200 0.065 Uiso 0.436(7) 1 d PG A 2
H5B_20 H 1.1301 -0.2522 0.0785 0.065 Uiso 0.436(7) 1 d PG A 2
H5C_20 H 1.0882 -0.2575 0.1189 0.065 Uiso 0.436(7) 1 d PG A 2
C6_20 C 0.9894(4) -0.1872(7) 0.0474(3) 0.0421(13) Uani 0.436(7) 1 d PGU A 2
H6A_20 H 0.9687 -0.2365 0.0665 0.063 Uiso 0.436(7) 1 d PG A 2
H6B_20 H 1.0045 -0.2286 0.0235 0.063 Uiso 0.436(7) 1 d PG A 2
H6C_20 H 0.9525 -0.1338 0.0337 0.063 Uiso 0.436(7) 1 d PG A 2
C1_2 C 0.96653(12) 0.29664(19) 0.15060(8) 0.0152(5) Uani 1 1 d . . .
C2_2 C 1.02120(12) 0.24799(19) 0.13122(9) 0.0175(5) Uani 1 1 d . A .
H2_2 H 1.0238 0.2524 0.1004 0.021 Uiso 1 1 calc R . .
C3_2 C 1.07127(13) 0.19159(19) 0.16579(9) 0.0204(6) Uani 1 1 d . . .
H3_2 H 1.1125 0.1514 0.1618 0.024 Uiso 1 1 calc R A .
C4_2 C 1.04958(13) 0.20533(19) 0.20661(9) 0.0198(5) Uani 1 1 d . A .
H4_2 H 1.0736 0.1771 0.2351 0.024 Uiso 1 1 calc R . .
C5_2 C 0.98511(12) 0.26912(18) 0.19762(8) 0.0163(5) Uani 1 1 d . A .
H5_2 H 0.9584 0.2903 0.2193 0.020 Uiso 1 1 calc R . .
Sn1 Sn 0.814419(8) 0.137198(12) 0.173765(5) 0.01123(4) Uani 1 1 d . . .
C1_3 C 0.72687(13) 0.02258(19) 0.14047(9) 0.0174(5) Uani 1 1 d . A .
C2_3 C 0.69269(13) 0.0614(2) 0.09281(9) 0.0231(6) Uani 1 1 d . . .
H2A_3 H 0.6555 0.0095 0.0781 0.035 Uiso 1 1 calc R A .
H2B_3 H 0.7306 0.0673 0.0754 0.035 Uiso 1 1 calc R . .
H2C_3 H 0.6700 0.1322 0.0943 0.035 Uiso 1 1 calc R . .
C3_3 C 0.66575(13) 0.0126(2) 0.16602(9) 0.0233(6) Uani 1 1 d . . .
H3A_3 H 0.6431 0.0835 0.1675 0.035 Uiso 1 1 calc R A .
H3B_3 H 0.6860 -0.0136 0.1967 0.035 Uiso 1 1 calc R . .
H3C_3 H 0.6289 -0.0386 0.1503 0.035 Uiso 1 1 calc R . .
C4_3 C 0.76200(14) -0.0889(2) 0.13932(10) 0.0244(6) Uani 1 1 d . . .
H4A_3 H 0.7248 -0.1408 0.1247 0.037 Uiso 1 1 calc R A .
H4B_3 H 0.7832 -0.1127 0.1702 0.037 Uiso 1 1 calc R . .
H4C_3 H 0.8005 -0.0844 0.1223 0.037 Uiso 1 1 calc R . .
C1_4 C 0.80819(13) 0.15689(19) 0.24585(8) 0.0167(5) Uani 1 1 d . A .
C2_4 C 0.86853(14) 0.2316(2) 0.27028(9) 0.0252(6) Uani 1 1 d . . .
H2A_4 H 0.8639 0.2417 0.3015 0.038 Uiso 1 1 calc R A .
H2B_4 H 0.8644 0.3017 0.2549 0.038 Uiso 1 1 calc R . .
H2C_4 H 0.9162 0.1994 0.2702 0.038 Uiso 1 1 calc R . .
C3_4 C 0.73487(13) 0.2092(2) 0.24749(9) 0.0210(5) Uani 1 1 d . . .
H3A_4 H 0.7322 0.2202 0.2790 0.031 Uiso 1 1 calc R A .
H3B_4 H 0.6949 0.1617 0.2326 0.031 Uiso 1 1 calc R . .
H3C_4 H 0.7306 0.2790 0.2319 0.031 Uiso 1 1 calc R . .
C4_4 C 0.81610(15) 0.0473(2) 0.27007(9) 0.0254(6) Uani 1 1 d . . .
H4A_4 H 0.8648 0.0178 0.2710 0.038 Uiso 1 1 calc R A .
H4B_4 H 0.7790 -0.0028 0.2537 0.038 Uiso 1 1 calc R . .
H4C_4 H 0.8095 0.0569 0.3009 0.038 Uiso 1 1 calc R . .
Se1 Se 0.764538(12) 0.324511(19) 0.141326(9) 0.01702(6) Uani 1 1 d . A .
Sn2 Sn 0.877519(8) 0.402582(13) 0.122184(5) 0.01278(4) Uani 1 1 d . A .
C1_5 C 0.90192(13) 0.55643(19) 0.15829(9) 0.0209(6) Uani 1 1 d . . .
C2_5 C 0.97981(16) 0.5894(3) 0.15687(12) 0.0418(8) Uani 1 1 d . A .
H2A_5 H 0.9834 0.5985 0.1254 0.063 Uiso 1 1 calc R . .
H2B_5 H 1.0139 0.5330 0.1712 0.063 Uiso 1 1 calc R . .
H2C_5 H 0.9920 0.6577 0.1731 0.063 Uiso 1 1 calc R . .
C3_5 C 0.84783(18) 0.6429(2) 0.13714(12) 0.0431(9) Uani 1 1 d . A .
H3A_5 H 0.8583 0.7100 0.1546 0.065 Uiso 1 1 calc R . .
H3B_5 H 0.7981 0.6188 0.1372 0.065 Uiso 1 1 calc R . .
H3C_5 H 0.8521 0.6558 0.1060 0.065 Uiso 1 1 calc R . .
C4_5 C 0.89808(15) 0.5398(2) 0.20743(9) 0.0300(7) Uani 1 1 d . A .
H4A_5 H 0.9088 0.6082 0.2239 0.045 Uiso 1 1 calc R . .
H4B_5 H 0.9340 0.4852 0.2212 0.045 Uiso 1 1 calc R . .
H4C_5 H 0.8490 0.5153 0.2088 0.045 Uiso 1 1 calc R . .
C1_6 C 0.86245(14) 0.4119(2) 0.04889(9) 0.0224(6) Uani 1 1 d . . .
C2_6 C 0.85544(17) 0.2973(2) 0.02972(10) 0.0360(7) Uani 1 1 d . A .
H2A_6 H 0.8158 0.2595 0.0395 0.054 Uiso 1 1 calc R . .
H2B_6 H 0.9014 0.2583 0.0407 0.054 Uiso 1 1 calc R . .
H2C_6 H 0.8446 0.3006 -0.0033 0.054 Uiso 1 1 calc R . .
C3_6 C 0.92764(16) 0.4688(3) 0.03673(11) 0.0422(8) Uani 1 1 d . A .
H3A_6 H 0.9226 0.4667 0.0039 0.063 Uiso 1 1 calc R . .
H3B_6 H 0.9728 0.4320 0.0516 0.063 Uiso 1 1 calc R . .
H3C_6 H 0.9293 0.5442 0.0469 0.063 Uiso 1 1 calc R . .
C4_6 C 0.79220(16) 0.4730(3) 0.02960(10) 0.0368(7) Uani 1 1 d . A .
H4A_6 H 0.7827 0.4721 -0.0035 0.055 Uiso 1 1 calc R . .
H4B_6 H 0.7971 0.5480 0.0403 0.055 Uiso 1 1 calc R . .
H4C_6 H 0.7515 0.4384 0.0395 0.055 Uiso 1 1 calc R . .
Mo2 Mo 0.450617(10) 0.363827(16) 0.136552(7) 0.01299(5) Uani 1 1 d . . .
C3 C 0.37321(13) 0.3830(2) 0.08181(9) 0.0197(5) Uani 1 1 d . . .
O3 O 0.33310(10) 0.39224(16) 0.04700(6) 0.0301(5) Uani 1 1 d . . .
C4 C 0.44376(13) 0.4923(2) 0.17384(9) 0.0198(5) Uani 1 1 d . . .
O4 O 0.44515(10) 0.56909(15) 0.19573(7) 0.0286(4) Uani 1 1 d . . .
C1_7 C 0.49372(13) 0.4811(2) 0.10229(9) 0.0214(6) Uani 1 1 d . . .
N2_7 N 0.51836(12) 0.54495(18) 0.08200(8) 0.0279(5) Uani 1 1 d . . .
C3_7 C 0.55572(15) 0.6288(2) 0.06262(9) 0.0229(6) Uani 1 1 d . . .
C4_7 C 0.50776(18) 0.6629(3) 0.01803(10) 0.0414(8) Uani 1 1 d . . .
H4A_7 H 0.5020 0.6022 -0.0032 0.062 Uiso 1 1 calc R . .
H4B_7 H 0.5304 0.7240 0.0058 0.062 Uiso 1 1 calc R . .
H4C_7 H 0.4597 0.6845 0.0226 0.062 Uiso 1 1 calc R . .
C5_7 C 0.5678(3) 0.7228(3) 0.09515(12) 0.0730(14) Uani 1 1 d . . .
H5A_7 H 0.5206 0.7484 0.0997 0.109 Uiso 1 1 calc R . .
H5B_7 H 0.5923 0.7816 0.0827 0.109 Uiso 1 1 calc R . .
H5C_7 H 0.5983 0.6995 0.1241 0.109 Uiso 1 1 calc R . .
C6_7 C 0.62710(17) 0.5814(3) 0.05636(13) 0.0574(11) Uani 1 1 d . . .
H6A_7 H 0.6574 0.5612 0.0858 0.086 Uiso 1 1 calc R . .
H6B_7 H 0.6530 0.6353 0.0421 0.086 Uiso 1 1 calc R . .
H6C_7 H 0.6172 0.5172 0.0371 0.086 Uiso 1 1 calc R . .
C1_8 C 0.46325(12) 0.17669(18) 0.13975(8) 0.0139(5) Uani 1 1 d . . .
C2_8 C 0.49156(12) 0.21841(18) 0.18434(8) 0.0154(5) Uani 1 1 d . . .
H2_8 H 0.4715 0.2051 0.2099 0.018 Uiso 1 1 calc R . .
C3_8 C 0.55394(13) 0.28242(19) 0.18421(9) 0.0198(5) Uani 1 1 d . . .
H3_8 H 0.5830 0.3188 0.2095 0.024 Uiso 1 1 calc R . .
C4_8 C 0.56516(12) 0.2826(2) 0.14028(9) 0.0209(6) Uani 1 1 d . . .
H4_8 H 0.6030 0.3200 0.1305 0.025 Uiso 1 1 calc R . .
C5_8 C 0.51044(12) 0.21728(19) 0.11271(8) 0.0169(5) Uani 1 1 d . . .
H5_8 H 0.5061 0.2031 0.0815 0.020 Uiso 1 1 calc R . .
Sn3 Sn 0.317240(8) 0.344221(13) 0.164938(6) 0.01280(4) Uani 1 1 d . . .
C1_9 C 0.32237(13) 0.3384(2) 0.23910(8) 0.0182(5) Uani 1 1 d . . .
C2_9 C 0.25259(14) 0.2853(2) 0.24697(9) 0.0228(6) Uani 1 1 d . . .
H2A_9 H 0.2480 0.2124 0.2340 0.034 Uiso 1 1 calc R . .
H2B_9 H 0.2101 0.3287 0.2325 0.034 Uiso 1 1 calc R . .
H2C_9 H 0.2550 0.2807 0.2795 0.034 Uiso 1 1 calc R . .
C3_9 C 0.33034(15) 0.4536(2) 0.25878(10) 0.0283(6) Uani 1 1 d . . .
H3A_9 H 0.2903 0.4988 0.2423 0.043 Uiso 1 1 calc R . .
H3B_9 H 0.3772 0.4842 0.2558 0.043 Uiso 1 1 calc R . .
H3C_9 H 0.3286 0.4510 0.2908 0.043 Uiso 1 1 calc R . .
C4_9 C 0.38714(14) 0.2718(2) 0.26378(9) 0.0249(6) Uani 1 1 d . . .
H4A_9 H 0.3876 0.2700 0.2961 0.037 Uiso 1 1 calc R . .
H4B_9 H 0.4325 0.3045 0.2593 0.037 Uiso 1 1 calc R . .
H4C_9 H 0.3830 0.1979 0.2518 0.037 Uiso 1 1 calc R . .
C1_10 C 0.22597(13) 0.4550(2) 0.13269(10) 0.0237(6) Uani 1 1 d . . .
C2_10 C 0.18368(14) 0.4054(2) 0.08860(10) 0.0312(7) Uani 1 1 d . . .
H2A_10 H 0.1449 0.4552 0.0740 0.047 Uiso 1 1 calc R . .
H2B_10 H 0.1620 0.3367 0.0949 0.047 Uiso 1 1 calc R . .
H2C_10 H 0.2170 0.3926 0.0685 0.047 Uiso 1 1 calc R . .
C3_10 C 0.17189(14) 0.4752(2) 0.16258(10) 0.0311(7) Uani 1 1 d . . .
H3A_10 H 0.1974 0.5090 0.1909 0.047 Uiso 1 1 calc R . .
H3B_10 H 0.1507 0.4063 0.1691 0.047 Uiso 1 1 calc R . .
H3C_10 H 0.1329 0.5233 0.1469 0.047 Uiso 1 1 calc R . .
C4_10 C 0.26061(16) 0.5628(2) 0.12374(12) 0.0403(8) Uani 1 1 d . . .
H4A_10 H 0.2965 0.5500 0.1053 0.061 Uiso 1 1 calc R . .
H4B_10 H 0.2850 0.5956 0.1525 0.061 Uiso 1 1 calc R . .
H4C_10 H 0.2225 0.6117 0.1077 0.061 Uiso 1 1 calc R . .
Se2 Se 0.261478(12) 0.155713(19) 0.138201(9) 0.01666(6) Uani 1 1 d . . .
Sn4 Sn 0.373471(8) 0.065486(13) 0.122891(5) 0.01313(4) Uani 1 1 d . . .
C1_11 C 0.40224(13) -0.06953(19) 0.17021(9) 0.0188(5) Uani 1 1 d . . .
C2_11 C 0.48338(15) -0.0946(2) 0.17444(10) 0.0316(7) Uani 1 1 d . . .
H2A_11 H 0.4977 -0.1552 0.1953 0.047 Uiso 1 1 calc R . .
H2B_11 H 0.5126 -0.0308 0.1860 0.047 Uiso 1 1 calc R . .
H2C_11 H 0.4918 -0.1139 0.1447 0.047 Uiso 1 1 calc R . .
C3_11 C 0.35551(17) -0.1680(2) 0.15372(11) 0.0360(7) Uani 1 1 d . . .
H3A_11 H 0.3647 -0.1919 0.1247 0.054 Uiso 1 1 calc R . .
H3B_11 H 0.3038 -0.1492 0.1499 0.054 Uiso 1 1 calc R . .
H3C_11 H 0.3679 -0.2264 0.1759 0.054 Uiso 1 1 calc R . .
C4_11 C 0.39078(15) -0.0357(2) 0.21646(9) 0.0255(6) Uani 1 1 d . . .
H4A_11 H 0.4025 -0.0965 0.2375 0.038 Uiso 1 1 calc R . .
H4B_11 H 0.3397 -0.0143 0.2138 0.038 Uiso 1 1 calc R . .
H4C_11 H 0.4228 0.0256 0.2278 0.038 Uiso 1 1 calc R . .
C1_12 C 0.35384(14) 0.0230(2) 0.05135(9) 0.0212(6) Uani 1 1 d . . .
C2_12 C 0.34025(17) 0.1260(2) 0.02352(9) 0.0333(7) Uani 1 1 d . . .
H2A_12 H 0.3840 0.1715 0.0305 0.050 Uiso 1 1 calc R . .
H2B_12 H 0.2991 0.1654 0.0308 0.050 Uiso 1 1 calc R . .
H2C_12 H 0.3289 0.1077 -0.0087 0.050 Uiso 1 1 calc R . .
C3_12 C 0.42060(16) -0.0364(3) 0.04225(10) 0.0365(7) Uani 1 1 d . . .
H3A_12 H 0.4127 -0.0529 0.0100 0.055 Uiso 1 1 calc R . .
H3B_12 H 0.4279 -0.1039 0.0596 0.055 Uiso 1 1 calc R . .
H3C_12 H 0.4639 0.0095 0.0514 0.055 Uiso 1 1 calc R . .
C4_12 C 0.28625(16) -0.0490(3) 0.03929(10) 0.0359(7) Uani 1 1 d . . .
H4A_12 H 0.2443 -0.0110 0.0463 0.054 Uiso 1 1 calc R . .
H4B_12 H 0.2950 -0.1161 0.0568 0.054 Uiso 1 1 calc R . .
H4C_12 H 0.2760 -0.0662 0.0070 0.054 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'
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'
Mo Mo -1.6832 0.6857 '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'
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 Mo1 C1 101.83(10) . . ?
C2 Mo1 C1A 75.46(10) . . ?
C1 Mo1 C1A 79.50(10) . . ?
C2 Mo1 C1_2 103.01(9) . . ?
C1 Mo1 C1_2 145.43(9) . . ?
C1A Mo1 C1_2 130.09(9) . . ?
C2 Mo1 C5_2 135.04(9) . . ?
C1 Mo1 C5_2 111.07(9) . . ?
C1A Mo1 C5_2 138.95(9) . . ?
C1_2 Mo1 C5_2 35.84(8) . . ?
C2 Mo1 C2_2 100.13(9) . . ?
C1 Mo1 C2_2 155.00(9) . . ?
C1A Mo1 C2_2 94.68(9) . . ?
C1_2 Mo1 C2_2 35.62(8) . . ?
C5_2 Mo1 C2_2 58.55(9) . . ?
C2 Mo1 C3_2 127.63(10) . . ?
C1 Mo1 C3_2 119.74(9) . . ?
C1A Mo1 C3_2 81.98(9) . . ?
C1_2 Mo1 C3_2 59.23(8) . . ?
C5_2 Mo1 C3_2 57.98(9) . . ?
C2_2 Mo1 C3_2 35.36(8) . . ?
C2 Mo1 C4_2 158.37(10) . . ?
C1 Mo1 C4_2 99.56(9) . . ?
C1A Mo1 C4_2 105.53(9) . . ?
C1_2 Mo1 C4_2 59.31(8) . . ?
C5_2 Mo1 C4_2 35.07(8) . . ?
C2_2 Mo1 C4_2 58.28(9) . . ?
C3_2 Mo1 C4_2 34.37(9) . . ?
C2 Mo1 Sn1 75.11(7) . . ?
C1 Mo1 Sn1 73.54(7) . . ?
C1A Mo1 Sn1 134.50(7) . . ?
C1_2 Mo1 Sn1 90.08(6) . . ?
C5_2 Mo1 Sn1 85.54(6) . . ?
C2_2 Mo1 Sn1 124.13(6) . . ?
C3_2 Mo1 Sn1 143.40(6) . . ?
C4_2 Mo1 Sn1 114.51(6) . . ?
O1 C1 Mo1 175.4(2) . . ?
O2 C2 Mo1 172.3(2) . . ?
N2_1 C1A Mo1 173.7(5) . . ?
C1A N2_1 C3_1 159.5(7) . . ?
N2_1 C3_1 C4_1 104.4 . . ?
N2_1 C3_1 C5_1 111.2 . . ?
C4_1 C3_1 C5_1 110.2 . . ?
N2_1 C3_1 C6_1 107.7 . . ?
C4_1 C3_1 C6_1 111.6 . . ?
C5_1 C3_1 C6_1 111.6 . . ?
H4A_20 C4_1 H4B_20 102.5 . . ?
H4A_20 C4_1 H4C_20 134.8 . . ?
H4B_20 C4_1 H4C_20 96.3 . . ?
H5A_20 C5_1 H5B_20 139.2 . . ?
H5A_20 C5_1 H5C_20 80.6 . . ?
H5B_20 C5_1 H5C_20 70.3 . . ?
H6A_20 C6_1 H6B_20 101.8 . . ?
H6A_20 C6_1 H6C_20 73.8 . . ?
H6B_20 C6_1 H6C_20 77.7 . . ?
C1A N2_20 C3_20 147.6(9) . . ?
N2_20 C3_20 C4_20 117.2 . . ?
N2_20 C3_20 C5_20 98.2 . . ?
C4_20 C3_20 C5_20 110.2 . . ?
N2_20 C3_20 C6_20 107.3 . . ?
C4_20 C3_20 C6_20 111.6 . . ?
C5_20 C3_20 C6_20 111.6 . . ?
C3_20 C4_20 H4A_20 109.5 . . ?
C3_20 C4_20 H4B_20 109.5 . . ?
H4A_20 C4_20 H4B_20 109.5 . . ?
C3_20 C4_20 H4C_20 109.5 . . ?
H4A_20 C4_20 H4C_20 109.5 . . ?
H4B_20 C4_20 H4C_20 109.5 . . ?
C3_20 C5_20 H5A_20 109.5 . . ?
C3_20 C5_20 H5B_20 109.5 . . ?
H5A_20 C5_20 H5B_20 109.5 . . ?
C3_20 C5_20 H5C_20 109.5 . . ?
H5A_20 C5_20 H5C_20 109.5 . . ?
H5B_20 C5_20 H5C_20 109.5 . . ?
C3_20 C6_20 H6A_20 109.5 . . ?
C3_20 C6_20 H6B_20 109.5 . . ?
H6A_20 C6_20 H6B_20 109.5 . . ?
C3_20 C6_20 H6C_20 109.5 . . ?
H6A_20 C6_20 H6C_20 109.5 . . ?
H6B_20 C6_20 H6C_20 109.5 . . ?
C2_2 C1_2 C5_2 105.9(2) . . ?
C2_2 C1_2 Sn2 131.23(18) . . ?
C5_2 C1_2 Sn2 122.67(17) . . ?
C2_2 C1_2 Mo1 72.47(13) . . ?
C5_2 C1_2 Mo1 72.29(13) . . ?
Sn2 C1_2 Mo1 123.99(10) . . ?
C3_2 C2_2 C1_2 108.6(2) . . ?
C3_2 C2_2 Mo1 73.31(14) . . ?
C1_2 C2_2 Mo1 71.90(13) . . ?
C3_2 C2_2 H2_2 125.7 . . ?
C1_2 C2_2 H2_2 125.7 . . ?
Mo1 C2_2 H2_2 120.8 . . ?
C4_2 C3_2 C2_2 108.6(2) . . ?
C4_2 C3_2 Mo1 73.49(13) . . ?
C2_2 C3_2 Mo1 71.34(13) . . ?
C4_2 C3_2 H3_2 125.7 . . ?
C2_2 C3_2 H3_2 125.7 . . ?
Mo1 C3_2 H3_2 121.2 . . ?
C3_2 C4_2 C5_2 107.5(2) . . ?
C3_2 C4_2 Mo1 72.14(14) . . ?
C5_2 C4_2 Mo1 70.74(13) . . ?
C3_2 C4_2 H4_2 126.2 . . ?
C5_2 C4_2 H4_2 126.2 . . ?
Mo1 C4_2 H4_2 122.6 . . ?
C4_2 C5_2 C1_2 109.3(2) . . ?
C4_2 C5_2 Mo1 74.19(14) . . ?
C1_2 C5_2 Mo1 71.86(13) . . ?
C4_2 C5_2 H5_2 125.3 . . ?
C1_2 C5_2 H5_2 125.3 . . ?
Mo1 C5_2 H5_2 120.3 . . ?
C1_4 Sn1 C1_3 108.59(9) . . ?
C1_4 Sn1 Se1 100.41(6) . . ?
C1_3 Sn1 Se1 103.08(6) . . ?
C1_4 Sn1 Mo1 116.89(6) . . ?
C1_3 Sn1 Mo1 117.65(6) . . ?
Se1 Sn1 Mo1 107.838(8) . . ?
C2_3 C1_3 C3_3 107.7(2) . . ?
C2_3 C1_3 C4_3 110.7(2) . . ?
C3_3 C1_3 C4_3 108.4(2) . . ?
C2_3 C1_3 Sn1 109.99(16) . . ?
C3_3 C1_3 Sn1 112.44(16) . . ?
C4_3 C1_3 Sn1 107.68(15) . . ?
C1_3 C2_3 H2A_3 109.5 . . ?
C1_3 C2_3 H2B_3 109.5 . . ?
H2A_3 C2_3 H2B_3 109.5 . . ?
C1_3 C2_3 H2C_3 109.5 . . ?
H2A_3 C2_3 H2C_3 109.5 . . ?
H2B_3 C2_3 H2C_3 109.5 . . ?
C1_3 C3_3 H3A_3 109.5 . . ?
C1_3 C3_3 H3B_3 109.5 . . ?
H3A_3 C3_3 H3B_3 109.5 . . ?
C1_3 C3_3 H3C_3 109.5 . . ?
H3A_3 C3_3 H3C_3 109.5 . . ?
H3B_3 C3_3 H3C_3 109.5 . . ?
C1_3 C4_3 H4A_3 109.5 . . ?
C1_3 C4_3 H4B_3 109.5 . . ?
H4A_3 C4_3 H4B_3 109.5 . . ?
C1_3 C4_3 H4C_3 109.5 . . ?
H4A_3 C4_3 H4C_3 109.5 . . ?
H4B_3 C4_3 H4C_3 109.5 . . ?
C2_4 C1_4 C3_4 107.8(2) . . ?
C2_4 C1_4 C4_4 108.7(2) . . ?
C3_4 C1_4 C4_4 110.4(2) . . ?
C2_4 C1_4 Sn1 110.40(16) . . ?
C3_4 C1_4 Sn1 108.80(16) . . ?
C4_4 C1_4 Sn1 110.72(17) . . ?
C1_4 C2_4 H2A_4 109.5 . . ?
C1_4 C2_4 H2B_4 109.5 . . ?
H2A_4 C2_4 H2B_4 109.5 . . ?
C1_4 C2_4 H2C_4 109.5 . . ?
H2A_4 C2_4 H2C_4 109.5 . . ?
H2B_4 C2_4 H2C_4 109.5 . . ?
C1_4 C3_4 H3A_4 109.5 . . ?
C1_4 C3_4 H3B_4 109.5 . . ?
H3A_4 C3_4 H3B_4 109.5 . . ?
C1_4 C3_4 H3C_4 109.5 . . ?
H3A_4 C3_4 H3C_4 109.5 . . ?
H3B_4 C3_4 H3C_4 109.5 . . ?
C1_4 C4_4 H4A_4 109.5 . . ?
C1_4 C4_4 H4B_4 109.5 . . ?
H4A_4 C4_4 H4B_4 109.5 . . ?
C1_4 C4_4 H4C_4 109.5 . . ?
H4A_4 C4_4 H4C_4 109.5 . . ?
H4B_4 C4_4 H4C_4 109.5 . . ?
Sn2 Se1 Sn1 100.247(9) . . ?
C1_2 Sn2 C1_6 110.73(9) . . ?
C1_2 Sn2 C1_5 105.73(9) . . ?
C1_6 Sn2 C1_5 115.44(10) . . ?
C1_2 Sn2 Se1 107.11(6) . . ?
C1_6 Sn2 Se1 109.39(7) . . ?
C1_5 Sn2 Se1 108.07(7) . . ?
C3_5 C1_5 C4_5 109.7(2) . . ?
C3_5 C1_5 C2_5 110.8(2) . . ?
C4_5 C1_5 C2_5 108.6(2) . . ?
C3_5 C1_5 Sn2 110.76(18) . . ?
C4_5 C1_5 Sn2 108.81(17) . . ?
C2_5 C1_5 Sn2 108.16(18) . . ?
C1_5 C2_5 H2A_5 109.5 . . ?
C1_5 C2_5 H2B_5 109.5 . . ?
H2A_5 C2_5 H2B_5 109.5 . . ?
C1_5 C2_5 H2C_5 109.5 . . ?
H2A_5 C2_5 H2C_5 109.5 . . ?
H2B_5 C2_5 H2C_5 109.5 . . ?
C1_5 C3_5 H3A_5 109.5 . . ?
C1_5 C3_5 H3B_5 109.5 . . ?
H3A_5 C3_5 H3B_5 109.5 . . ?
C1_5 C3_5 H3C_5 109.5 . . ?
H3A_5 C3_5 H3C_5 109.5 . . ?
H3B_5 C3_5 H3C_5 109.5 . . ?
C1_5 C4_5 H4A_5 109.5 . . ?
C1_5 C4_5 H4B_5 109.5 . . ?
H4A_5 C4_5 H4B_5 109.5 . . ?
C1_5 C4_5 H4C_5 109.5 . . ?
H4A_5 C4_5 H4C_5 109.5 . . ?
H4B_5 C4_5 H4C_5 109.5 . . ?
C4_6 C1_6 C2_6 108.7(2) . . ?
C4_6 C1_6 C3_6 110.6(2) . . ?
C2_6 C1_6 C3_6 109.9(2) . . ?
C4_6 C1_6 Sn2 108.84(18) . . ?
C2_6 C1_6 Sn2 108.72(17) . . ?
C3_6 C1_6 Sn2 110.03(19) . . ?
C1_6 C2_6 H2A_6 109.5 . . ?
C1_6 C2_6 H2B_6 109.5 . . ?
H2A_6 C2_6 H2B_6 109.5 . . ?
C1_6 C2_6 H2C_6 109.5 . . ?
H2A_6 C2_6 H2C_6 109.5 . . ?
H2B_6 C2_6 H2C_6 109.5 . . ?
C1_6 C3_6 H3A_6 109.5 . . ?
C1_6 C3_6 H3B_6 109.5 . . ?
H3A_6 C3_6 H3B_6 109.5 . . ?
C1_6 C3_6 H3C_6 109.5 . . ?
H3A_6 C3_6 H3C_6 109.5 . . ?
H3B_6 C3_6 H3C_6 109.5 . . ?
C1_6 C4_6 H4A_6 109.5 . . ?
C1_6 C4_6 H4B_6 109.5 . . ?
H4A_6 C4_6 H4B_6 109.5 . . ?
C1_6 C4_6 H4C_6 109.5 . . ?
H4A_6 C4_6 H4C_6 109.5 . . ?
H4B_6 C4_6 H4C_6 109.5 . . ?
C3 Mo2 C4 104.99(10) . . ?
C3 Mo2 C1_7 77.68(10) . . ?
C4 Mo2 C1_7 78.83(10) . . ?
C3 Mo2 C1_8 101.80(9) . . ?
C4 Mo2 C1_8 142.79(9) . . ?
C1_7 Mo2 C1_8 132.49(9) . . ?
C3 Mo2 C2_8 134.38(9) . . ?
C4 Mo2 C2_8 108.55(9) . . ?
C1_7 Mo2 C2_8 138.40(9) . . ?
C1_8 Mo2 C2_8 35.92(8) . . ?
C3 Mo2 C5_8 98.48(9) . . ?
C4 Mo2 C5_8 154.49(9) . . ?
C1_7 Mo2 C5_8 96.85(9) . . ?
C1_8 Mo2 C5_8 35.70(8) . . ?
C2_8 Mo2 C5_8 58.61(8) . . ?
C3 Mo2 C4_8 126.01(10) . . ?
C4 Mo2 C4_8 119.49(9) . . ?
C1_7 Mo2 C4_8 82.31(9) . . ?
C1_8 Mo2 C4_8 59.33(8) . . ?
C2_8 Mo2 C4_8 58.00(9) . . ?
C5_8 Mo2 C4_8 35.37(8) . . ?
C3 Mo2 C3_8 156.73(10) . . ?
C4 Mo2 C3_8 98.08(9) . . ?
C1_7 Mo2 C3_8 104.35(9) . . ?
C1_8 Mo2 C3_8 59.35(8) . . ?
C2_8 Mo2 C3_8 35.01(8) . . ?
C5_8 Mo2 C3_8 58.28(9) . . ?
C4_8 Mo2 C3_8 34.39(9) . . ?
C3 Mo2 Sn3 74.38(7) . . ?
C4 Mo2 Sn3 73.66(7) . . ?
C1_7 Mo2 Sn3 133.59(7) . . ?
C1_8 Mo2 Sn3 89.49(6) . . ?
C2_8 Mo2 Sn3 86.30(6) . . ?
C5_8 Mo2 Sn3 123.22(6) . . ?
C4_8 Mo2 Sn3 143.97(6) . . ?
C3_8 Mo2 Sn3 115.86(6) . . ?
O3 C3 Mo2 172.9(2) . . ?
O4 C4 Mo2 174.9(2) . . ?
N2_7 C1_7 Mo2 177.9(2) . . ?
C1_7 N2_7 C3_7 172.0(3) . . ?
N2_7 C3_7 C4_7 108.6(2) . . ?
N2_7 C3_7 C5_7 107.5(3) . . ?
C4_7 C3_7 C5_7 110.1(3) . . ?
N2_7 C3_7 C6_7 107.3(2) . . ?
C4_7 C3_7 C6_7 111.3(3) . . ?
C5_7 C3_7 C6_7 111.9(3) . . ?
C3_7 C4_7 H4A_7 109.5 . . ?
C3_7 C4_7 H4B_7 109.5 . . ?
H4A_7 C4_7 H4B_7 109.5 . . ?
C3_7 C4_7 H4C_7 109.5 . . ?
H4A_7 C4_7 H4C_7 109.5 . . ?
H4B_7 C4_7 H4C_7 109.5 . . ?
C3_7 C5_7 H5A_7 109.5 . . ?
C3_7 C5_7 H5B_7 109.5 . . ?
H5A_7 C5_7 H5B_7 109.5 . . ?
C3_7 C5_7 H5C_7 109.5 . . ?
H5A_7 C5_7 H5C_7 109.5 . . ?
H5B_7 C5_7 H5C_7 109.5 . . ?
C3_7 C6_7 H6A_7 109.5 . . ?
C3_7 C6_7 H6B_7 109.5 . . ?
H6A_7 C6_7 H6B_7 109.5 . . ?
C3_7 C6_7 H6C_7 109.5 . . ?
H6A_7 C6_7 H6C_7 109.5 . . ?
H6B_7 C6_7 H6C_7 109.5 . . ?
C5_8 C1_8 C2_8 105.7(2) . . ?
C5_8 C1_8 Sn4 130.03(18) . . ?
C2_8 C1_8 Sn4 124.10(17) . . ?
C5_8 C1_8 Mo2 72.35(13) . . ?
C2_8 C1_8 Mo2 72.24(13) . . ?
Sn4 C1_8 Mo2 124.04(10) . . ?
C3_8 C2_8 C1_8 109.3(2) . . ?
C3_8 C2_8 Mo2 74.03(14) . . ?
C1_8 C2_8 Mo2 71.84(13) . . ?
C3_8 C2_8 H2_8 125.3 . . ?
C1_8 C2_8 H2_8 125.3 . . ?
Mo2 C2_8 H2_8 120.5 . . ?
C4_8 C3_8 C2_8 107.8(2) . . ?
C4_8 C3_8 Mo2 72.14(14) . . ?
C2_8 C3_8 Mo2 70.97(13) . . ?
C4_8 C3_8 H3_8 126.1 . . ?
C2_8 C3_8 H3_8 126.1 . . ?
Mo2 C3_8 H3_8 122.5 . . ?
C3_8 C4_8 C5_8 108.6(2) . . ?
C3_8 C4_8 Mo2 73.47(13) . . ?
C5_8 C4_8 Mo2 71.45(13) . . ?
C3_8 C4_8 H4_8 125.7 . . ?
C5_8 C4_8 H4_8 125.7 . . ?
Mo2 C4_8 H4_8 121.1 . . ?
C4_8 C5_8 C1_8 108.7(2) . . ?
C4_8 C5_8 Mo2 73.19(13) . . ?
C1_8 C5_8 Mo2 71.95(13) . . ?
C4_8 C5_8 H5_8 125.7 . . ?
C1_8 C5_8 H5_8 125.7 . . ?
Mo2 C5_8 H5_8 120.9 . . ?
C1_9 Sn3 C1_10 108.47(10) . . ?
C1_9 Sn3 Se2 102.08(6) . . ?
C1_10 Sn3 Se2 101.25(7) . . ?
C1_9 Sn3 Mo2 117.86(6) . . ?
C1_10 Sn3 Mo2 117.13(7) . . ?
Se2 Sn3 Mo2 107.579(9) . . ?
C4_9 C1_9 C2_9 108.0(2) . . ?
C4_9 C1_9 C3_9 108.2(2) . . ?
C2_9 C1_9 C3_9 110.4(2) . . ?
C4_9 C1_9 Sn3 111.34(16) . . ?
C2_9 C1_9 Sn3 108.99(16) . . ?
C3_9 C1_9 Sn3 109.92(17) . . ?
C1_9 C2_9 H2A_9 109.5 . . ?
C1_9 C2_9 H2B_9 109.5 . . ?
H2A_9 C2_9 H2B_9 109.5 . . ?
C1_9 C2_9 H2C_9 109.5 . . ?
H2A_9 C2_9 H2C_9 109.5 . . ?
H2B_9 C2_9 H2C_9 109.5 . . ?
C1_9 C3_9 H3A_9 109.5 . . ?
C1_9 C3_9 H3B_9 109.5 . . ?
H3A_9 C3_9 H3B_9 109.5 . . ?
C1_9 C3_9 H3C_9 109.5 . . ?
H3A_9 C3_9 H3C_9 109.5 . . ?
H3B_9 C3_9 H3C_9 109.5 . . ?
C1_9 C4_9 H4A_9 109.5 . . ?
C1_9 C4_9 H4B_9 109.5 . . ?
H4A_9 C4_9 H4B_9 109.5 . . ?
C1_9 C4_9 H4C_9 109.5 . . ?
H4A_9 C4_9 H4C_9 109.5 . . ?
H4B_9 C4_9 H4C_9 109.5 . . ?
C2_10 C1_10 C3_10 107.6(2) . . ?
C2_10 C1_10 C4_10 110.6(2) . . ?
C3_10 C1_10 C4_10 109.1(2) . . ?
C2_10 C1_10 Sn3 109.65(17) . . ?
C3_10 C1_10 Sn3 112.67(18) . . ?
C4_10 C1_10 Sn3 107.17(16) . . ?
C1_10 C2_10 H2A_10 109.5 . . ?
C1_10 C2_10 H2B_10 109.5 . . ?
H2A_10 C2_10 H2B_10 109.5 . . ?
C1_10 C2_10 H2C_10 109.5 . . ?
H2A_10 C2_10 H2C_10 109.5 . . ?
H2B_10 C2_10 H2C_10 109.5 . . ?
C1_10 C3_10 H3A_10 109.5 . . ?
C1_10 C3_10 H3B_10 109.5 . . ?
H3A_10 C3_10 H3B_10 109.5 . . ?
C1_10 C3_10 H3C_10 109.5 . . ?
H3A_10 C3_10 H3C_10 109.5 . . ?
H3B_10 C3_10 H3C_10 109.5 . . ?
C1_10 C4_10 H4A_10 109.5 . . ?
C1_10 C4_10 H4B_10 109.5 . . ?
H4A_10 C4_10 H4B_10 109.5 . . ?
C1_10 C4_10 H4C_10 109.5 . . ?
H4A_10 C4_10 H4C_10 109.5 . . ?
H4B_10 C4_10 H4C_10 109.5 . . ?
Sn4 Se2 Sn3 99.194(10) . . ?
C1_8 Sn4 C1_12 109.89(9) . . ?
C1_8 Sn4 C1_11 105.43(9) . . ?
C1_12 Sn4 C1_11 115.55(10) . . ?
C1_8 Sn4 Se2 108.45(6) . . ?
C1_12 Sn4 Se2 109.17(7) . . ?
C1_11 Sn4 Se2 108.10(7) . . ?
C3_11 C1_11 C4_11 109.5(2) . . ?
C3_11 C1_11 C2_11 110.9(2) . . ?
C4_11 C1_11 C2_11 108.7(2) . . ?
C3_11 C1_11 Sn4 110.78(17) . . ?
C4_11 C1_11 Sn4 109.28(16) . . ?
C2_11 C1_11 Sn4 107.72(17) . . ?
C1_11 C2_11 H2A_11 109.5 . . ?
C1_11 C2_11 H2B_11 109.5 . . ?
H2A_11 C2_11 H2B_11 109.5 . . ?
C1_11 C2_11 H2C_11 109.5 . . ?
H2A_11 C2_11 H2C_11 109.5 . . ?
H2B_11 C2_11 H2C_11 109.5 . . ?
C1_11 C3_11 H3A_11 109.5 . . ?
C1_11 C3_11 H3B_11 109.5 . . ?
H3A_11 C3_11 H3B_11 109.5 . . ?
C1_11 C3_11 H3C_11 109.5 . . ?
H3A_11 C3_11 H3C_11 109.5 . . ?
H3B_11 C3_11 H3C_11 109.5 . . ?
C1_11 C4_11 H4A_11 109.5 . . ?
C1_11 C4_11 H4B_11 109.5 . . ?
H4A_11 C4_11 H4B_11 109.5 . . ?
C1_11 C4_11 H4C_11 109.5 . . ?
H4A_11 C4_11 H4C_11 109.5 . . ?
H4B_11 C4_11 H4C_11 109.5 . . ?
C2_12 C1_12 C4_12 109.2(2) . . ?
C2_12 C1_12 C3_12 110.2(2) . . ?
C4_12 C1_12 C3_12 110.3(2) . . ?
C2_12 C1_12 Sn4 108.78(17) . . ?
C4_12 C1_12 Sn4 108.99(18) . . ?
C3_12 C1_12 Sn4 109.39(17) . . ?
C1_12 C2_12 H2A_12 109.5 . . ?
C1_12 C2_12 H2B_12 109.5 . . ?
H2A_12 C2_12 H2B_12 109.5 . . ?
C1_12 C2_12 H2C_12 109.5 . . ?
H2A_12 C2_12 H2C_12 109.5 . . ?
H2B_12 C2_12 H2C_12 109.5 . . ?
C1_12 C3_12 H3A_12 109.5 . . ?
C1_12 C3_12 H3B_12 109.5 . . ?
H3A_12 C3_12 H3B_12 109.5 . . ?
C1_12 C3_12 H3C_12 109.5 . . ?
H3A_12 C3_12 H3C_12 109.5 . . ?
H3B_12 C3_12 H3C_12 109.5 . . ?
C1_12 C4_12 H4A_12 109.5 . . ?
C1_12 C4_12 H4B_12 109.5 . . ?
H4A_12 C4_12 H4B_12 109.5 . . ?
C1_12 C4_12 H4C_12 109.5 . . ?
H4A_12 C4_12 H4C_12 109.5 . . ?
H4B_12 C4_12 H4C_12 109.5 . . ?
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
Mo1 C2 1.968(3) . ?
Mo1 C1 1.979(3) . ?
Mo1 C1A 2.0430(15) . ?
Mo1 C1_2 2.327(2) . ?
Mo1 C5_2 2.332(2) . ?
Mo1 C2_2 2.334(2) . ?
Mo1 C3_2 2.360(2) . ?
Mo1 C4_2 2.377(2) . ?
Mo1 Sn1 2.8303(3) . ?
C1 O1 1.156(3) . ?
C2 O2 1.152(3) . ?
C1A N2_1 1.1590 . ?
C1A N2_20 1.1643(10) . ?
N2_1 C3_1 1.4650 . ?
C3_1 C4_1 1.5039 . ?
C3_1 C5_1 1.5115 . ?
C3_1 C6_1 1.5120 . ?
C4_1 H4A_1 0.9800 . ?
C4_1 H4B_1 0.9800 . ?
C4_1 H4C_1 0.9800 . ?
C5_1 H5A_1 0.9801 . ?
C5_1 H5B_1 0.9801 . ?
C5_1 H5C_1 0.9800 . ?
C6_1 H6A_1 0.9800 . ?
C6_1 H6B_1 0.9800 . ?
C6_1 H6C_1 0.9800 . ?
N2_20 C3_20 1.4613 . ?
C3_20 C4_20 1.5039 . ?
C3_20 C5_20 1.5116 . ?
C3_20 C6_20 1.5120 . ?
C4_20 H4A_20 0.9800 . ?
C4_20 H4B_20 0.9800 . ?
C4_20 H4C_20 0.9800 . ?
C5_20 H5A_20 0.9800 . ?
C5_20 H5B_20 0.9800 . ?
C5_20 H5C_20 0.9799 . ?
C6_20 H6A_20 0.9799 . ?
C6_20 H6B_20 0.9800 . ?
C6_20 H6C_20 0.9800 . ?
C1_2 C2_2 1.426(3) . ?
C1_2 C5_2 1.434(3) . ?
C1_2 Sn2 2.147(2) . ?
C2_2 C3_2 1.426(3) . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.400(4) . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.420(3) . ?
C4_2 H4_2 0.9500 . ?
C5_2 H5_2 0.9500 . ?
Sn1 C1_4 2.232(2) . ?
Sn1 C1_3 2.234(2) . ?
Sn1 Se1 2.6079(3) . ?
C1_3 C2_3 1.524(3) . ?
C1_3 C3_3 1.528(3) . ?
C1_3 C4_3 1.531(3) . ?
C2_3 H2A_3 0.9800 . ?
C2_3 H2B_3 0.9800 . ?
C2_3 H2C_3 0.9800 . ?
C3_3 H3A_3 0.9800 . ?
C3_3 H3B_3 0.9800 . ?
C3_3 H3C_3 0.9800 . ?
C4_3 H4A_3 0.9800 . ?
C4_3 H4B_3 0.9800 . ?
C4_3 H4C_3 0.9800 . ?
C1_4 C2_4 1.521(3) . ?
C1_4 C3_4 1.532(3) . ?
C1_4 C4_4 1.533(3) . ?
C2_4 H2A_4 0.9800 . ?
C2_4 H2B_4 0.9800 . ?
C2_4 H2C_4 0.9800 . ?
C3_4 H3A_4 0.9800 . ?
C3_4 H3B_4 0.9800 . ?
C3_4 H3C_4 0.9800 . ?
C4_4 H4A_4 0.9800 . ?
C4_4 H4B_4 0.9800 . ?
C4_4 H4C_4 0.9800 . ?
Se1 Sn2 2.5147(3) . ?
Sn2 C1_6 2.184(3) . ?
Sn2 C1_5 2.193(2) . ?
C1_5 C3_5 1.515(4) . ?
C1_5 C4_5 1.525(4) . ?
C1_5 C2_5 1.528(4) . ?
C2_5 H2A_5 0.9800 . ?
C2_5 H2B_5 0.9800 . ?
C2_5 H2C_5 0.9800 . ?
C3_5 H3A_5 0.9800 . ?
C3_5 H3B_5 0.9800 . ?
C3_5 H3C_5 0.9800 . ?
C4_5 H4A_5 0.9800 . ?
C4_5 H4B_5 0.9800 . ?
C4_5 H4C_5 0.9800 . ?
C1_6 C4_6 1.520(4) . ?
C1_6 C2_6 1.526(4) . ?
C1_6 C3_6 1.527(4) . ?
C2_6 H2A_6 0.9800 . ?
C2_6 H2B_6 0.9800 . ?
C2_6 H2C_6 0.9800 . ?
C3_6 H3A_6 0.9800 . ?
C3_6 H3B_6 0.9800 . ?
C3_6 H3C_6 0.9800 . ?
C4_6 H4A_6 0.9800 . ?
C4_6 H4B_6 0.9800 . ?
C4_6 H4C_6 0.9800 . ?
Mo2 C3 1.964(3) . ?
Mo2 C4 1.972(3) . ?
Mo2 C1_7 2.054(3) . ?
Mo2 C1_8 2.326(2) . ?
Mo2 C2_8 2.331(2) . ?
Mo2 C5_8 2.331(2) . ?
Mo2 C4_8 2.354(2) . ?
Mo2 C3_8 2.371(2) . ?
Mo2 Sn3 2.8359(3) . ?
C3 O3 1.159(3) . ?
C4 O4 1.157(3) . ?
C1_7 N2_7 1.160(3) . ?
N2_7 C3_7 1.448(3) . ?
C3_7 C4_7 1.510(4) . ?
C3_7 C5_7 1.510(4) . ?
C3_7 C6_7 1.513(4) . ?
C4_7 H4A_7 0.9800 . ?
C4_7 H4B_7 0.9800 . ?
C4_7 H4C_7 0.9800 . ?
C5_7 H5A_7 0.9800 . ?
C5_7 H5B_7 0.9800 . ?
C5_7 H5C_7 0.9800 . ?
C6_7 H6A_7 0.9800 . ?
C6_7 H6B_7 0.9800 . ?
C6_7 H6C_7 0.9800 . ?
C1_8 C5_8 1.428(3) . ?
C1_8 C2_8 1.436(3) . ?
C1_8 Sn4 2.147(2) . ?
C2_8 C3_8 1.415(3) . ?
C2_8 H2_8 0.9500 . ?
C3_8 C4_8 1.397(4) . ?
C3_8 H3_8 0.9500 . ?
C4_8 C5_8 1.423(3) . ?
C4_8 H4_8 0.9500 . ?
C5_8 H5_8 0.9500 . ?
Sn3 C1_9 2.235(2) . ?
Sn3 C1_10 2.241(2) . ?
Sn3 Se2 2.6096(3) . ?
C1_9 C4_9 1.521(3) . ?
C1_9 C2_9 1.532(3) . ?
C1_9 C3_9 1.538(3) . ?
C2_9 H2A_9 0.9800 . ?
C2_9 H2B_9 0.9800 . ?
C2_9 H2C_9 0.9800 . ?
C3_9 H3A_9 0.9800 . ?
C3_9 H3B_9 0.9800 . ?
C3_9 H3C_9 0.9800 . ?
C4_9 H4A_9 0.9800 . ?
C4_9 H4B_9 0.9800 . ?
C4_9 H4C_9 0.9800 . ?
C1_10 C2_10 1.525(4) . ?
C1_10 C3_10 1.527(4) . ?
C1_10 C4_10 1.534(4) . ?
C2_10 H2A_10 0.9800 . ?
C2_10 H2B_10 0.9800 . ?
C2_10 H2C_10 0.9800 . ?
C3_10 H3A_10 0.9800 . ?
C3_10 H3B_10 0.9800 . ?
C3_10 H3C_10 0.9800 . ?
C4_10 H4A_10 0.9800 . ?
C4_10 H4B_10 0.9800 . ?
C4_10 H4C_10 0.9800 . ?
Se2 Sn4 2.5144(3) . ?
Sn4 C1_12 2.186(3) . ?
Sn4 C1_11 2.191(2) . ?
C1_11 C3_11 1.519(4) . ?
C1_11 C4_11 1.527(4) . ?
C1_11 C2_11 1.532(3) . ?
C2_11 H2A_11 0.9800 . ?
C2_11 H2B_11 0.9800 . ?
C2_11 H2C_11 0.9800 . ?
C3_11 H3A_11 0.9800 . ?
C3_11 H3B_11 0.9800 . ?
C3_11 H3C_11 0.9800 . ?
C4_11 H4A_11 0.9800 . ?
C4_11 H4B_11 0.9800 . ?
C4_11 H4C_11 0.9800 . ?
C1_12 C2_12 1.519(4) . ?
C1_12 C4_12 1.527(4) . ?
C1_12 C3_12 1.531(4) . ?
C2_12 H2A_12 0.9800 . ?
C2_12 H2B_12 0.9800 . ?
C2_12 H2C_12 0.9800 . ?
C3_12 H3A_12 0.9800 . ?
C3_12 H3B_12 0.9800 . ?
C3_12 H3C_12 0.9800 . ?
C4_12 H4A_12 0.9800 . ?
C4_12 H4B_12 0.9800 . ?
C4_12 H4C_12 0.9800 . ?
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
C1A N2_1 C3_1 C4_1 29.1(17) . . . . ?
C1A N2_1 C3_1 C5_1 147.8(17) . . . . ?
C1A N2_1 C3_1 C6_1 -89.7(17) . . . . ?
C1A N2_20 C3_20 C4_20 38.9(14) . . . . ?
C1A N2_20 C3_20 C5_20 156.7(14) . . . . ?
C1A N2_20 C3_20 C6_20 -87.5(14) . . . . ?
C2 Mo1 C1_2 C2_2 -89.28(15) . . . . ?
C1 Mo1 C1_2 C2_2 135.82(17) . . . . ?
C1A Mo1 C1_2 C2_2 -7.47(19) . . . . ?
C5_2 Mo1 C1_2 C2_2 113.7(2) . . . . ?
C3_2 Mo1 C1_2 C2_2 37.00(14) . . . . ?
C4_2 Mo1 C1_2 C2_2 77.21(15) . . . . ?
Sn1 Mo1 C1_2 C2_2 -164.01(14) . . . . ?
C2 Mo1 C1_2 C5_2 156.99(14) . . . . ?
C1 Mo1 C1_2 C5_2 22.1(2) . . . . ?
C1A Mo1 C1_2 C5_2 -121.20(15) . . . . ?
C2_2 Mo1 C1_2 C5_2 -113.7(2) . . . . ?
C3_2 Mo1 C1_2 C5_2 -76.73(15) . . . . ?
C4_2 Mo1 C1_2 C5_2 -36.52(13) . . . . ?
Sn1 Mo1 C1_2 C5_2 82.27(13) . . . . ?
C2 Mo1 C1_2 Sn2 39.08(15) . . . . ?
C1 Mo1 C1_2 Sn2 -95.82(18) . . . . ?
C1A Mo1 C1_2 Sn2 120.89(13) . . . . ?
C5_2 Mo1 C1_2 Sn2 -117.9(2) . . . . ?
C2_2 Mo1 C1_2 Sn2 128.4(2) . . . . ?
C3_2 Mo1 C1_2 Sn2 165.36(17) . . . . ?
C4_2 Mo1 C1_2 Sn2 -154.43(17) . . . . ?
Sn1 Mo1 C1_2 Sn2 -35.64(12) . . . . ?
C5_2 C1_2 C2_2 C3_2 0.5(3) . . . . ?
Sn2 C1_2 C2_2 C3_2 175.23(17) . . . . ?
Mo1 C1_2 C2_2 C3_2 -64.59(16) . . . . ?
C5_2 C1_2 C2_2 Mo1 65.07(15) . . . . ?
Sn2 C1_2 C2_2 Mo1 -120.18(19) . . . . ?
C2 Mo1 C2_2 C3_2 -145.09(15) . . . . ?
C1 Mo1 C2_2 C3_2 6.1(3) . . . . ?
C1A Mo1 C2_2 C3_2 -69.05(16) . . . . ?
C1_2 Mo1 C2_2 C3_2 116.7(2) . . . . ?
C5_2 Mo1 C2_2 C3_2 77.75(16) . . . . ?
C4_2 Mo1 C2_2 C3_2 36.33(14) . . . . ?
Sn1 Mo1 C2_2 C3_2 136.12(13) . . . . ?
C2 Mo1 C2_2 C1_2 98.24(15) . . . . ?
C1 Mo1 C2_2 C1_2 -110.6(2) . . . . ?
C1A Mo1 C2_2 C1_2 174.27(15) . . . . ?
C5_2 Mo1 C2_2 C1_2 -38.93(13) . . . . ?
C3_2 Mo1 C2_2 C1_2 -116.7(2) . . . . ?
C4_2 Mo1 C2_2 C1_2 -80.35(15) . . . . ?
Sn1 Mo1 C2_2 C1_2 19.44(16) . . . . ?
C1_2 C2_2 C3_2 C4_2 -0.8(3) . . . . ?
Mo1 C2_2 C3_2 C4_2 -64.53(17) . . . . ?
C1_2 C2_2 C3_2 Mo1 63.68(16) . . . . ?
C2 Mo1 C3_2 C4_2 162.16(14) . . . . ?
C1 Mo1 C3_2 C4_2 -60.24(17) . . . . ?
C1A Mo1 C3_2 C4_2 -133.24(16) . . . . ?
C1_2 Mo1 C3_2 C4_2 79.53(15) . . . . ?
C5_2 Mo1 C3_2 C4_2 37.29(14) . . . . ?
C2_2 Mo1 C3_2 C4_2 116.8(2) . . . . ?
Sn1 Mo1 C3_2 C4_2 42.58(19) . . . . ?
C2 Mo1 C3_2 C2_2 45.35(19) . . . . ?
C1 Mo1 C3_2 C2_2 -177.06(15) . . . . ?
C1A Mo1 C3_2 C2_2 109.95(16) . . . . ?
C1_2 Mo1 C3_2 C2_2 -37.28(14) . . . . ?
C5_2 Mo1 C3_2 C2_2 -79.52(15) . . . . ?
C4_2 Mo1 C3_2 C2_2 -116.8(2) . . . . ?
Sn1 Mo1 C3_2 C2_2 -74.23(18) . . . . ?
C2_2 C3_2 C4_2 C5_2 0.9(3) . . . . ?
Mo1 C3_2 C4_2 C5_2 -62.27(16) . . . . ?
C2_2 C3_2 C4_2 Mo1 63.14(16) . . . . ?
C2 Mo1 C4_2 C3_2 -41.2(3) . . . . ?
C1 Mo1 C4_2 C3_2 130.14(15) . . . . ?
C1A Mo1 C4_2 C3_2 48.48(16) . . . . ?
C1_2 Mo1 C4_2 C3_2 -79.28(15) . . . . ?
C5_2 Mo1 C4_2 C3_2 -116.6(2) . . . . ?
C2_2 Mo1 C4_2 C3_2 -37.38(14) . . . . ?
Sn1 Mo1 C4_2 C3_2 -153.68(12) . . . . ?
C2 Mo1 C4_2 C5_2 75.5(3) . . . . ?
C1 Mo1 C4_2 C5_2 -113.25(15) . . . . ?
C1A Mo1 C4_2 C5_2 165.09(15) . . . . ?
C1_2 Mo1 C4_2 C5_2 37.33(14) . . . . ?
C2_2 Mo1 C4_2 C5_2 79.23(15) . . . . ?
C3_2 Mo1 C4_2 C5_2 116.6(2) . . . . ?
Sn1 Mo1 C4_2 C5_2 -37.07(16) . . . . ?
C3_2 C4_2 C5_2 C1_2 -0.6(3) . . . . ?
Mo1 C4_2 C5_2 C1_2 -63.75(16) . . . . ?
C3_2 C4_2 C5_2 Mo1 63.18(17) . . . . ?
C2_2 C1_2 C5_2 C4_2 0.1(3) . . . . ?
Sn2 C1_2 C5_2 C4_2 -175.26(16) . . . . ?
Mo1 C1_2 C5_2 C4_2 65.24(16) . . . . ?
C2_2 C1_2 C5_2 Mo1 -65.19(16) . . . . ?
Sn2 C1_2 C5_2 Mo1 119.50(15) . . . . ?
C2 Mo1 C5_2 C4_2 -149.67(16) . . . . ?
C1 Mo1 C5_2 C4_2 76.17(16) . . . . ?
C1A Mo1 C5_2 C4_2 -22.2(2) . . . . ?
C1_2 Mo1 C5_2 C4_2 -117.1(2) . . . . ?
C2_2 Mo1 C5_2 C4_2 -78.37(16) . . . . ?
C3_2 Mo1 C5_2 C4_2 -36.54(15) . . . . ?
Sn1 Mo1 C5_2 C4_2 146.62(14) . . . . ?
C2 Mo1 C5_2 C1_2 -32.61(19) . . . . ?
C1 Mo1 C5_2 C1_2 -166.78(13) . . . . ?
C1A Mo1 C5_2 C1_2 94.88(17) . . . . ?
C2_2 Mo1 C5_2 C1_2 38.69(13) . . . . ?
C3_2 Mo1 C5_2 C1_2 80.52(15) . . . . ?
C4_2 Mo1 C5_2 C1_2 117.1(2) . . . . ?
Sn1 Mo1 C5_2 C1_2 -96.32(12) . . . . ?
C2 Mo1 Sn1 C1_4 167.16(10) . . . . ?
C1 Mo1 Sn1 C1_4 59.72(10) . . . . ?
C1A Mo1 Sn1 C1_4 115.89(12) . . . . ?
C1_2 Mo1 Sn1 C1_4 -89.39(9) . . . . ?
C5_2 Mo1 Sn1 C1_4 -53.80(9) . . . . ?
C2_2 Mo1 Sn1 C1_4 -100.57(10) . . . . ?
C3_2 Mo1 Sn1 C1_4 -58.30(13) . . . . ?
C4_2 Mo1 Sn1 C1_4 -33.47(10) . . . . ?
C2 Mo1 Sn1 C1_3 35.16(10) . . . . ?
C1 Mo1 Sn1 C1_3 -72.28(10) . . . . ?
C1A Mo1 Sn1 C1_3 -16.11(12) . . . . ?
C1_2 Mo1 Sn1 C1_3 138.61(9) . . . . ?
C5_2 Mo1 Sn1 C1_3 174.20(9) . . . . ?
C2_2 Mo1 Sn1 C1_3 127.43(11) . . . . ?
C3_2 Mo1 Sn1 C1_3 169.70(13) . . . . ?
C4_2 Mo1 Sn1 C1_3 -165.47(10) . . . . ?
C2 Mo1 Sn1 Se1 -80.75(7) . . . . ?
C1 Mo1 Sn1 Se1 171.81(8) . . . . ?
C1A Mo1 Sn1 Se1 -132.02(10) . . . . ?
C1_2 Mo1 Sn1 Se1 22.70(6) . . . . ?
C5_2 Mo1 Sn1 Se1 58.29(6) . . . . ?
C2_2 Mo1 Sn1 Se1 11.52(8) . . . . ?
C3_2 Mo1 Sn1 Se1 53.80(11) . . . . ?
C4_2 Mo1 Sn1 Se1 78.62(7) . . . . ?
C1_4 Sn1 C1_3 C2_3 140.31(16) . . . . ?
Se1 Sn1 C1_3 C2_3 34.41(17) . . . . ?
Mo1 Sn1 C1_3 C2_3 -84.06(16) . . . . ?
C1_4 Sn1 C1_3 C3_3 20.34(19) . . . . ?
Se1 Sn1 C1_3 C3_3 -85.56(17) . . . . ?
Mo1 Sn1 C1_3 C3_3 155.97(15) . . . . ?
C1_4 Sn1 C1_3 C4_3 -98.97(18) . . . . ?
Se1 Sn1 C1_3 C4_3 155.13(16) . . . . ?
Mo1 Sn1 C1_3 C4_3 36.66(19) . . . . ?
C1_3 Sn1 C1_4 C2_4 178.14(16) . . . . ?
Se1 Sn1 C1_4 C2_4 -74.13(17) . . . . ?
Mo1 Sn1 C1_4 C2_4 42.13(18) . . . . ?
C1_3 Sn1 C1_4 C3_4 -63.79(17) . . . . ?
Se1 Sn1 C1_4 C3_4 43.94(16) . . . . ?
Mo1 Sn1 C1_4 C3_4 160.20(13) . . . . ?
C1_3 Sn1 C1_4 C4_4 57.73(18) . . . . ?
Se1 Sn1 C1_4 C4_4 165.46(15) . . . . ?
Mo1 Sn1 C1_4 C4_4 -78.29(17) . . . . ?
C1_4 Sn1 Se1 Sn2 113.42(6) . . . . ?
C1_3 Sn1 Se1 Sn2 -134.53(7) . . . . ?
Mo1 Sn1 Se1 Sn2 -9.411(12) . . . . ?
C2_2 C1_2 Sn2 C1_6 10.8(2) . . . . ?
C5_2 C1_2 Sn2 C1_6 -175.18(18) . . . . ?
Mo1 C1_2 Sn2 C1_6 -85.37(14) . . . . ?
C2_2 C1_2 Sn2 C1_5 -114.9(2) . . . . ?
C5_2 C1_2 Sn2 C1_5 59.1(2) . . . . ?
Mo1 C1_2 Sn2 C1_5 148.91(12) . . . . ?
C2_2 C1_2 Sn2 Se1 130.0(2) . . . . ?
C5_2 C1_2 Sn2 Se1 -55.97(19) . . . . ?
Mo1 C1_2 Sn2 Se1 33.83(13) . . . . ?
Sn1 Se1 Sn2 C1_2 -9.46(7) . . . . ?
Sn1 Se1 Sn2 C1_6 110.61(7) . . . . ?
Sn1 Se1 Sn2 C1_5 -122.96(7) . . . . ?
C1_2 Sn2 C1_5 C3_5 172.7(2) . . . . ?
C1_6 Sn2 C1_5 C3_5 49.9(2) . . . . ?
Se1 Sn2 C1_5 C3_5 -72.9(2) . . . . ?
C1_2 Sn2 C1_5 C4_5 -66.67(18) . . . . ?
C1_6 Sn2 C1_5 C4_5 170.56(16) . . . . ?
Se1 Sn2 C1_5 C4_5 47.74(18) . . . . ?
C1_2 Sn2 C1_5 C2_5 51.1(2) . . . . ?
C1_6 Sn2 C1_5 C2_5 -71.7(2) . . . . ?
Se1 Sn2 C1_5 C2_5 165.49(18) . . . . ?
C1_2 Sn2 C1_6 C4_6 171.27(18) . . . . ?
C1_5 Sn2 C1_6 C4_6 -68.7(2) . . . . ?
Se1 Sn2 C1_6 C4_6 53.4(2) . . . . ?
C1_2 Sn2 C1_6 C2_6 53.0(2) . . . . ?
C1_5 Sn2 C1_6 C2_6 173.06(17) . . . . ?
Se1 Sn2 C1_6 C2_6 -64.83(19) . . . . ?
C1_2 Sn2 C1_6 C3_6 -67.5(2) . . . . ?
C1_5 Sn2 C1_6 C3_6 52.6(2) . . . . ?
Se1 Sn2 C1_6 C3_6 174.73(17) . . . . ?
C3 Mo2 C1_8 C5_8 88.12(15) . . . . ?
C4 Mo2 C1_8 C5_8 -136.45(16) . . . . ?
C1_7 Mo2 C1_8 C5_8 4.10(19) . . . . ?
C2_8 Mo2 C1_8 C5_8 -113.54(19) . . . . ?
C4_8 Mo2 C1_8 C5_8 -36.93(14) . . . . ?
C3_8 Mo2 C1_8 C5_8 -77.14(15) . . . . ?
Sn3 Mo2 C1_8 C5_8 162.05(13) . . . . ?
C3 Mo2 C1_8 C2_8 -158.33(14) . . . . ?
C4 Mo2 C1_8 C2_8 -22.9(2) . . . . ?
C1_7 Mo2 C1_8 C2_8 117.65(16) . . . . ?
C5_8 Mo2 C1_8 C2_8 113.54(19) . . . . ?
C4_8 Mo2 C1_8 C2_8 76.61(15) . . . . ?
C3_8 Mo2 C1_8 C2_8 36.41(13) . . . . ?
Sn3 Mo2 C1_8 C2_8 -84.41(13) . . . . ?
C3 Mo2 C1_8 Sn4 -38.72(15) . . . . ?
C4 Mo2 C1_8 Sn4 96.70(17) . . . . ?
C1_7 Mo2 C1_8 Sn4 -122.74(14) . . . . ?
C2_8 Mo2 C1_8 Sn4 119.6(2) . . . . ?
C5_8 Mo2 C1_8 Sn4 -126.8(2) . . . . ?
C4_8 Mo2 C1_8 Sn4 -163.78(17) . . . . ?
C3_8 Mo2 C1_8 Sn4 156.02(17) . . . . ?
Sn3 Mo2 C1_8 Sn4 35.20(12) . . . . ?
C5_8 C1_8 C2_8 C3_8 0.1(3) . . . . ?
Sn4 C1_8 C2_8 C3_8 175.41(16) . . . . ?
Mo2 C1_8 C2_8 C3_8 -65.05(16) . . . . ?
C5_8 C1_8 C2_8 Mo2 65.13(15) . . . . ?
Sn4 C1_8 C2_8 Mo2 -119.54(15) . . . . ?
C3 Mo2 C2_8 C3_8 147.49(16) . . . . ?
C4 Mo2 C2_8 C3_8 -77.26(16) . . . . ?
C1_7 Mo2 C2_8 C3_8 16.8(2) . . . . ?
C1_8 Mo2 C2_8 C3_8 117.1(2) . . . . ?
C5_8 Mo2 C2_8 C3_8 78.31(16) . . . . ?
C4_8 Mo2 C2_8 C3_8 36.49(14) . . . . ?
Sn3 Mo2 C2_8 C3_8 -148.65(14) . . . . ?
C3 Mo2 C2_8 C1_8 30.37(19) . . . . ?
C4 Mo2 C2_8 C1_8 165.62(13) . . . . ?
C1_7 Mo2 C2_8 C1_8 -100.34(17) . . . . ?
C5_8 Mo2 C2_8 C1_8 -38.81(13) . . . . ?
C4_8 Mo2 C2_8 C1_8 -80.63(15) . . . . ?
C3_8 Mo2 C2_8 C1_8 -117.1(2) . . . . ?
Sn3 Mo2 C2_8 C1_8 94.23(12) . . . . ?
C1_8 C2_8 C3_8 C4_8 0.5(3) . . . . ?
Mo2 C2_8 C3_8 C4_8 -63.18(17) . . . . ?
C1_8 C2_8 C3_8 Mo2 63.65(16) . . . . ?
C3 Mo2 C3_8 C4_8 40.3(3) . . . . ?
C4 Mo2 C3_8 C4_8 -132.28(15) . . . . ?
C1_7 Mo2 C3_8 C4_8 -51.82(16) . . . . ?
C1_8 Mo2 C3_8 C4_8 79.40(15) . . . . ?
C2_8 Mo2 C3_8 C4_8 116.8(2) . . . . ?
C5_8 Mo2 C3_8 C4_8 37.42(14) . . . . ?
Sn3 Mo2 C3_8 C4_8 152.01(12) . . . . ?
C3 Mo2 C3_8 C2_8 -76.5(3) . . . . ?
C4 Mo2 C3_8 C2_8 110.94(15) . . . . ?
C1_7 Mo2 C3_8 C2_8 -168.59(15) . . . . ?
C1_8 Mo2 C3_8 C2_8 -37.38(14) . . . . ?
C5_8 Mo2 C3_8 C2_8 -79.35(15) . . . . ?
C4_8 Mo2 C3_8 C2_8 -116.8(2) . . . . ?
Sn3 Mo2 C3_8 C2_8 35.24(16) . . . . ?
C2_8 C3_8 C4_8 C5_8 -0.9(3) . . . . ?
Mo2 C3_8 C4_8 C5_8 -63.27(16) . . . . ?
C2_8 C3_8 C4_8 Mo2 62.41(16) . . . . ?
C3 Mo2 C4_8 C3_8 -161.58(15) . . . . ?
C4 Mo2 C4_8 C3_8 57.30(17) . . . . ?
C1_7 Mo2 C4_8 C3_8 129.79(16) . . . . ?
C1_8 Mo2 C4_8 C3_8 -79.45(15) . . . . ?
C2_8 Mo2 C4_8 C3_8 -37.15(14) . . . . ?
C5_8 Mo2 C4_8 C3_8 -116.7(2) . . . . ?
Sn3 Mo2 C4_8 C3_8 -45.89(19) . . . . ?
C3 Mo2 C4_8 C5_8 -44.84(19) . . . . ?
C4 Mo2 C4_8 C5_8 174.04(15) . . . . ?
C1_7 Mo2 C4_8 C5_8 -113.47(16) . . . . ?
C1_8 Mo2 C4_8 C5_8 37.29(14) . . . . ?
C2_8 Mo2 C4_8 C5_8 79.59(15) . . . . ?
C3_8 Mo2 C4_8 C5_8 116.7(2) . . . . ?
Sn3 Mo2 C4_8 C5_8 70.85(18) . . . . ?
C3_8 C4_8 C5_8 C1_8 0.9(3) . . . . ?
Mo2 C4_8 C5_8 C1_8 -63.65(16) . . . . ?
C3_8 C4_8 C5_8 Mo2 64.57(17) . . . . ?
C2_8 C1_8 C5_8 C4_8 -0.6(3) . . . . ?
Sn4 C1_8 C5_8 C4_8 -175.55(16) . . . . ?
Mo2 C1_8 C5_8 C4_8 64.45(16) . . . . ?
C2_8 C1_8 C5_8 Mo2 -65.05(15) . . . . ?
Sn4 C1_8 C5_8 Mo2 120.00(18) . . . . ?
C3 Mo2 C5_8 C4_8 144.78(16) . . . . ?
C4 Mo2 C5_8 C4_8 -12.1(3) . . . . ?
C1_7 Mo2 C5_8 C4_8 66.28(16) . . . . ?
C1_8 Mo2 C5_8 C4_8 -116.8(2) . . . . ?
C2_8 Mo2 C5_8 C4_8 -77.71(16) . . . . ?
C3_8 Mo2 C5_8 C4_8 -36.37(14) . . . . ?
Sn3 Mo2 C5_8 C4_8 -138.38(13) . . . . ?
C3 Mo2 C5_8 C1_8 -98.45(15) . . . . ?
C4 Mo2 C5_8 C1_8 104.6(2) . . . . ?
C1_7 Mo2 C5_8 C1_8 -176.95(14) . . . . ?
C2_8 Mo2 C5_8 C1_8 39.06(13) . . . . ?
C4_8 Mo2 C5_8 C1_8 116.8(2) . . . . ?
C3_8 Mo2 C5_8 C1_8 80.39(15) . . . . ?
Sn3 Mo2 C5_8 C1_8 -21.62(16) . . . . ?
C3 Mo2 Sn3 C1_9 -170.88(10) . . . . ?
C4 Mo2 Sn3 C1_9 -59.67(10) . . . . ?
C1_7 Mo2 Sn3 C1_9 -115.77(13) . . . . ?
C1_8 Mo2 Sn3 C1_9 86.71(9) . . . . ?
C2_8 Mo2 Sn3 C1_9 50.89(9) . . . . ?
C5_8 Mo2 Sn3 C1_9 99.12(10) . . . . ?
C4_8 Mo2 Sn3 C1_9 58.31(13) . . . . ?
C3_8 Mo2 Sn3 C1_9 31.52(10) . . . . ?
C3 Mo2 Sn3 C1_10 -38.54(11) . . . . ?
C4 Mo2 Sn3 C1_10 72.68(11) . . . . ?
C1_7 Mo2 Sn3 C1_10 16.57(13) . . . . ?
C1_8 Mo2 Sn3 C1_10 -140.95(10) . . . . ?
C2_8 Mo2 Sn3 C1_10 -176.76(10) . . . . ?
C5_8 Mo2 Sn3 C1_10 -128.54(11) . . . . ?
C4_8 Mo2 Sn3 C1_10 -169.35(14) . . . . ?
C3_8 Mo2 Sn3 C1_10 163.87(11) . . . . ?
C3 Mo2 Sn3 Se2 74.55(8) . . . . ?
C4 Mo2 Sn3 Se2 -174.23(8) . . . . ?
C1_7 Mo2 Sn3 Se2 129.67(10) . . . . ?
C1_8 Mo2 Sn3 Se2 -27.86(6) . . . . ?
C2_8 Mo2 Sn3 Se2 -63.67(6) . . . . ?
C5_8 Mo2 Sn3 Se2 -15.44(7) . . . . ?
C4_8 Mo2 Sn3 Se2 -56.25(11) . . . . ?
C3_8 Mo2 Sn3 Se2 -83.04(7) . . . . ?
C1_10 Sn3 C1_9 C4_9 -175.37(17) . . . . ?
Se2 Sn3 C1_9 C4_9 78.26(17) . . . . ?
Mo2 Sn3 C1_9 C4_9 -39.28(19) . . . . ?
C1_10 Sn3 C1_9 C2_9 65.63(18) . . . . ?
Se2 Sn3 C1_9 C2_9 -40.74(17) . . . . ?
Mo2 Sn3 C1_9 C2_9 -158.28(14) . . . . ?
C1_10 Sn3 C1_9 C3_9 -55.51(18) . . . . ?
Se2 Sn3 C1_9 C3_9 -161.88(15) . . . . ?
Mo2 Sn3 C1_9 C3_9 80.58(17) . . . . ?
C1_9 Sn3 C1_10 C2_10 -137.93(17) . . . . ?
Se2 Sn3 C1_10 C2_10 -30.99(18) . . . . ?
Mo2 Sn3 C1_10 C2_10 85.62(17) . . . . ?
C1_9 Sn3 C1_10 C3_10 -18.1(2) . . . . ?
Se2 Sn3 C1_10 C3_10 88.87(19) . . . . ?
Mo2 Sn3 C1_10 C3_10 -154.52(16) . . . . ?
C1_9 Sn3 C1_10 C4_10 102.0(2) . . . . ?
Se2 Sn3 C1_10 C4_10 -151.05(19) . . . . ?
Mo2 Sn3 C1_10 C4_10 -34.4(2) . . . . ?
C1_9 Sn3 Se2 Sn4 -107.45(6) . . . . ?
C1_10 Sn3 Se2 Sn4 140.65(7) . . . . ?
Mo2 Sn3 Se2 Sn4 17.235(11) . . . . ?
C5_8 C1_8 Sn4 C1_12 -4.1(2) . . . . ?
C2_8 C1_8 Sn4 C1_12 -178.22(18) . . . . ?
Mo2 C1_8 Sn4 C1_12 91.04(14) . . . . ?
C5_8 C1_8 Sn4 C1_11 121.1(2) . . . . ?
C2_8 C1_8 Sn4 C1_11 -53.1(2) . . . . ?
Mo2 C1_8 Sn4 C1_11 -143.81(12) . . . . ?
C5_8 C1_8 Sn4 Se2 -123.4(2) . . . . ?
C2_8 C1_8 Sn4 Se2 62.51(19) . . . . ?
Mo2 C1_8 Sn4 Se2 -28.22(13) . . . . ?
Sn3 Se2 Sn4 C1_8 1.65(7) . . . . ?
Sn3 Se2 Sn4 C1_12 -118.06(7) . . . . ?
Sn3 Se2 Sn4 C1_11 115.49(7) . . . . ?
C1_8 Sn4 C1_11 C3_11 -163.19(19) . . . . ?
C1_12 Sn4 C1_11 C3_11 -41.6(2) . . . . ?
Se2 Sn4 C1_11 C3_11 80.98(19) . . . . ?
C1_8 Sn4 C1_11 C4_11 76.11(18) . . . . ?
C1_12 Sn4 C1_11 C4_11 -162.34(16) . . . . ?
Se2 Sn4 C1_11 C4_11 -39.72(17) . . . . ?
C1_8 Sn4 C1_11 C2_11 -41.78(19) . . . . ?
C1_12 Sn4 C1_11 C2_11 79.77(19) . . . . ?
Se2 Sn4 C1_11 C2_11 -157.61(16) . . . . ?
C1_8 Sn4 C1_12 C2_12 -56.7(2) . . . . ?
C1_11 Sn4 C1_12 C2_12 -175.84(17) . . . . ?
Se2 Sn4 C1_12 C2_12 62.10(19) . . . . ?
C1_8 Sn4 C1_12 C4_12 -175.64(18) . . . . ?
C1_11 Sn4 C1_12 C4_12 65.2(2) . . . . ?
Se2 Sn4 C1_12 C4_12 -56.82(19) . . . . ?
C1_8 Sn4 C1_12 C3_12 63.6(2) . . . . ?
C1_11 Sn4 C1_12 C3_12 -55.5(2) . . . . ?
Se2 Sn4 C1_12 C3_12 -177.54(17) . . . . ?
