<i>catena</i>-Poly[[[trimethyltin(IV)]-μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>'-[trimethyltin(IV)]-μ-1,3,4-thiadiazole-2,5(3<i>H</i>)-dithionato(2{-})-κ^2^<i>N</i>^3^:<i>S</i>^5^] 4,4'-bipyridine clathrate]
Lin-Lin Qiu; Ji-Kun Li; Jun-Shan Sun; Ru-Fen Zhang; Acta Crystallographica Section E 62 (2006) m3052–m3053; doi:10.1107/S1600536806042899

data_2210949
_publ_section_title
;<i>catena</i>-Poly[[[trimethyltin(IV)]-\m-4,4'-bipyridyl-\k^2^<i>N</i>:<i>N</i>'-[trimethyltin(IV)]-\m-1,3,4-thiadiazole-2,5(3<i>H</i>)-dithionato(2{-})-\k^2^<i>N</i>^3^:<i>S</i>^5^]
 4,4'-bipyridine clathrate]
;
_journal_coeditor_code           CV2131
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3052
_journal_page_last               m3053
_journal_paper_doi               10.1107/S1600536806042899
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'[Sn2 (C H3)6 (C2 N2 S3) (C10 H8 N2)], C10 H8 N2'
_chemical_formula_moiety         'C18 H26 N4 S3 Sn2, C10 H8 N2'
_chemical_formula_sum            'C28 H34 N6 S3 Sn2'
_chemical_formula_weight         788.17
_chemical_name_systematic
;catena-Poly[[[trimethyltin(IV)]-\m-4,4'-bipyridyl-\k^2^N:N'-[trimethyltin(IV)]-
\m-1,3,4-thiadiazole-2,5(3H)-dithionato(2-)-\k^2^N^3^:S^5^]
 4,4'-bipyridine
clathrate]
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 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                 95.249(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.886(5)
_cell_length_b                   11.525(5)
_cell_length_c                   13.236(6)
_cell_measurement_reflns_used    3491
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.674
_cell_measurement_theta_min      2.348
_cell_volume                     1653.6(13)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0607
_diffrn_reflns_av_sigmaI/netI    0.0745
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8311
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.77
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.727
_exptl_absorpt_correction_T_max  0.6166
_exptl_absorpt_correction_T_min  0.4912
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.31
_refine_diff_density_max         0.761
_refine_diff_density_min         -0.678
_refine_ls_abs_structure_details 'Flack (1983), 1083 Friedel pairs'
_refine_ls_abs_structure_Flack   0.02(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4003
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0332P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0829
_refine_ls_wR_factor_ref         0.0916
_reflns_number_gt                3440
_reflns_number_total             4003
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv2131.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P c'
_cod_database_code               2210949
_cod_database_fobs_code          2210949