<i>catena</i>-Poly[[trimethyltin(IV)]-μ-phenylseleninato-κ^2^<i>O</i>:<i>O</i>']
Guo, Mengjie; Ru, Jing; Zhang, Rufen; Acta Crystallographica Section E 67 (2011) m152–; doi:10.1107/S1600536810054243

data_2229207
_publ_section_title
;
 <i>catena</i>-Poly[[trimethyltin(IV)]-\m-phenylseleninato-\k^2^<i>O</i>:<i>O</i>']
;
_journal_coeditor_code           RZ2544
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m152
_journal_paper_doi               10.1107/S1600536810054243
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn (C H3)3 (C6 H5 O2 Se)]'
_chemical_formula_moiety         'C9 H14 O2 Se Sn'
_chemical_formula_sum            'C9 H14 O2 Se Sn'
_chemical_formula_weight         351.85
_chemical_name_systematic
;
<i>catena</i>-Poly[[trimethyltin(IV)]-\m-phenylseleninato-
\k^2^<i>O</i>:<i>O</i>']
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.0352(12)
_cell_length_b                   10.0882(13)
_cell_length_c                   18.709(2)
_cell_measurement_reflns_used    3552
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.426
_cell_measurement_theta_min      2.679
_cell_volume                     2460.3(5)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector'
_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  0.0484
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            9382
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.18
_exptl_absorpt_coefficient_mu    5.007
_exptl_absorpt_correction_T_max  0.3246
_exptl_absorpt_correction_T_min  0.2276
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.900
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.394
_refine_diff_density_min         -0.449
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_reflns         2164
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0280
_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^)+(0.0321P)^2^+0.1006P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0626
_refine_ls_wR_factor_ref         0.0689
_reflns_number_gt                1681
_reflns_number_total             2164
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            rz2544.cif
_cod_data_source_block           I
_cod_database_code               2229207
_cod_database_fobs_code          2229207