Bis(3-hydroxypyridine-2-carboxylato)dimethyltin(IV)
Tian, Guang-Ru; Zhang, Ru-Fen; Ma, Chun-Lin; Ng, Seik Weng; Acta Crystallographica Section E 61 (2005) m2276–m2277; doi:10.1107/S1600536805032277

data_2207239
_publ_section_title
;
 Bis(3-hydroxypyridine-2-carboxylato)dimethyltin(IV)
;
_journal_coeditor_code           HB6285
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2276
_journal_page_last               m2277
_journal_paper_doi               10.1107/S1600536805032277
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Sn (C H3)2 (C6 H4 N O3)2]'
_chemical_formula_moiety         'C14 H14 N2 O6 Sn'
_chemical_formula_structural     'Sn, 2C H3, 2C6 H4 N O3'
_chemical_formula_sum            'C14 H14 N2 O6 Sn'
_chemical_formula_weight         424.96
_chemical_name_systematic
;
Bis(3-hydroxypyridine-2-carboxylato)dimethyltin(IV)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 107.7830(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2280(10)
_cell_length_b                   13.363(2)
_cell_length_c                   13.222(2)
_cell_measurement_reflns_used    3129
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      2.7
_cell_volume                     1552.6(4)
_computing_cell_refinement       'SAINT (Bruker, 1996)'
_computing_data_collection       'SMART (Bruker, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Bruker SMART 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  0.039
_diffrn_reflns_av_sigmaI/netI    0.044
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4512
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.8
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.678
_exptl_absorpt_correction_T_max  0.699
_exptl_absorpt_correction_T_min  0.416
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.818
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.25
_refine_diff_density_min         -0.82
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.06
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     133
_refine_ls_number_reflns         1783
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.06
_refine_ls_R_factor_all          0.041
_refine_ls_R_factor_gt           0.034
_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^)+(0.0461P)^2^+2.0757P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.085
_refine_ls_wR_factor_ref         0.090
_reflns_number_gt                1605
_reflns_number_total             1783
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6285.cif
_cod_data_source_block           I
_cod_original_cell_volume        1552.5(3)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2207239