Bis(2-hydroxybenzoato-<i>O</i>,<i>O</i>')dimethyltin
Basu Baul, T. S.; Tiekink, E. R. T.; Acta Crystallographica Section C 52 (1996) 1959–1961; doi:10.1107/S0108270196005057

data_2005311
_publ_contact_author
;
  Dr ERT Tiekink
  Department of Chemistry
  The University of Adelaide
  South Australia 5005
  AUSTRALIA
;
_publ_section_title
;
 Bis(2-hydroxybenzoato-<i>O</i>,<i>O</i>')dimethyltin
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1959
_journal_page_last               1961
_journal_paper_doi               10.1107/S0108270196005057
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Sn (C7 H5 O3)2 (C H3)2]'
_chemical_formula_moiety         'C16 H16 O6 Sn'
_chemical_formula_sum            'C16 H16 O6 Sn'
_chemical_formula_weight         422.99
_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'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 104.32(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.471(4)
_cell_length_b                   21.635(4)
_cell_length_c                   10.346(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    193
_cell_measurement_theta_max      47.8
_cell_measurement_theta_min      42.0
_cell_volume                     1620.3(11)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation (1992)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_diffrn_ambient_temperature      193
_diffrn_measurement_device       AFC6R
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_sigmaI/netI    0.079
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4157
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        3.03
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.604
_exptl_absorpt_correction_T_max  0.845
_exptl_absorpt_correction_T_min  0.660
_exptl_absorpt_correction_type   'analytical (De Meulenaer & Tompa, 1965)'
_exptl_absorpt_process_details   Tompa_analytical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_description       plate
_exptl_crystal_F_000             840.00
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.040
_refine_diff_density_max         '1.18 near C(13)'
_refine_diff_density_min         -1.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.267
_refine_ls_goodness_of_fit_obs   1.267
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         3768
_refine_ls_number_restraints     none
_refine_ls_R_factor_all          0.064
_refine_ls_R_factor_obs          0.064
_refine_ls_shift/esd_max         0.0006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      'sigma 1/\s^2^(Fo)'
_refine_ls_wR_factor_all         0.085
_refine_ls_wR_factor_obs         0.085
_reflns_number_observed          3768
_reflns_number_total             '3877 (including systematic absences)'
_reflns_observed_criterion       0.00
_cod_data_source_file            ta1090.cif
_cod_data_source_block           a
_cod_original_cell_volume        1620.2(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2005311