<i>catena</i>-Poly[[trimethyltin(IV)]-μ-5-methylthiophene-2-carboxylato-κ^2^<i>O</i>:<i>O</i>']
Zhu, Qi; Zhang, Rufen; Acta Crystallographica Section E 67 (2011) m1834–; doi:10.1107/S1600536811049713

data_2232742
_publ_section_title
;
 <i>catena</i>-Poly[[trimethyltin(IV)]-\m-5-methylthiophene-2-carboxylato-\k^2^<i>O</i>:<i>O</i>']
;
_journal_coeditor_code           HB6523
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1834
_journal_paper_doi               10.1107/S1600536811049713
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn (C H3)3 (C6 H5 O2 S)]'
_chemical_formula_moiety         'C9 H14 O2 S Sn'
_chemical_formula_sum            'C9 H14 O2 S Sn'
_chemical_formula_weight         304.95
_chemical_name_systematic
;
<i>catena</i>-Poly[[trimethyltin(IV)]-\m-5-methylthiophene-2-carboxylato-
\k^2^<i>O</i>:<i>O</i>']
;
_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                69.3850(10)
_cell_angle_beta                 72.2250(10)
_cell_angle_gamma                75.038(2)
_cell_formula_units_Z            4
_cell_length_a                   9.9591(8)
_cell_length_b                   10.0655(11)
_cell_length_c                   13.9890(12)
_cell_measurement_reflns_used    2063
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.26
_cell_measurement_theta_min      2.82
_cell_volume                     1231.9(2)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       'phi and omega 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  0.0475
_diffrn_reflns_av_sigmaI/netI    0.1083
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6219
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.60
_exptl_absorpt_coefficient_mu    2.214
_exptl_absorpt_correction_T_max  0.8256
_exptl_absorpt_correction_T_min  0.4425
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         3.707
_refine_diff_density_min         -0.969
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     243
_refine_ls_number_reflns         4293
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.972
_refine_ls_R_factor_all          0.1292
_refine_ls_R_factor_gt           0.0843
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1385P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2065
_refine_ls_wR_factor_ref         0.2419
_reflns_number_gt                2340
_reflns_number_total             4293
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6523.cif
_cod_data_source_block           I
_cod_database_code               2232742
_cod_database_fobs_code          2232742