<i>catena</i>-Poly[[trimethyltin(IV)]-μ-2-methylbenzoato-κ^2^<i>O</i>:<i>O</i>']
Danish, Muhammad; Saleem, Iram; Ahmad, Nazir; Starosta, Wojciech; Leciejewicz, Janusz; Acta Crystallographica Section E 66 (2010) m4–; doi:10.1107/S1600536809051587

data_2224640
_publ_section_title
<i>catena</i>-Poly[[trimethyltin(IV)]-\m-2-methylbenzoato-\k^2^<i>O</i>:<i>O</i>']
_journal_coeditor_code           HB5258
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m4
_journal_paper_doi               10.1107/S1600536809051587
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Sn (C H3)3 (C8 H7 O2)]'
_chemical_formula_moiety         'C11 H16 O2 Sn'
_chemical_formula_sum            'C11 H16 O2 Sn'
_chemical_formula_weight         298.93
_chemical_name_systematic
;
<i>catena</i>-Poly[[trimethyltin(IV)]-\m-2-methylbenzoato-
\k^2^<i>O</i>:<i>O</i>']
;
_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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.39(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.618(2)
_cell_length_b                   10.046(2)
_cell_length_c                   12.833(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      6
_cell_volume                     1265.7(5)
_computing_cell_refinement       'KM-4 Software (Kuma, 1996)'
_computing_data_collection       'KM-4 Software (Kuma, 1996)'
_computing_data_reduction        'DATAPROC (Kuma, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.871
_diffrn_measurement_device_type  'Kuma KM-4 four circle diffractometer'
_diffrn_measurement_method       'profile data from \w/2\q 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  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0361
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            3389
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.06
_diffrn_reflns_theta_min         2.13
_diffrn_standards_decay_%        6.35
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.995
_exptl_absorpt_correction_T_max  0.892
_exptl_absorpt_correction_T_min  0.838
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.371
_refine_diff_density_min         -1.690
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     131
_refine_ls_number_reflns         3226
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0800
_refine_ls_R_factor_gt           0.0393
_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^)+(0.0777P)^2^+0.0604P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1024
_refine_ls_wR_factor_ref         0.1177
_reflns_number_gt                2090
_reflns_number_total             3226
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb5258.cif
_cod_data_source_block           I
_cod_original_cell_volume        1265.7(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2224640
_cod_database_fobs_code          2224640