<i>catena</i>-Poly[[aquadiphenyltin(IV)]-μ-2,6-pyridinedicarboxylato]
Fahui Li; Yantuan Li; Hongyan Zhao; Xiuting Lang; Acta Crystallographica Section E 63 (2007) m3207–m3207; doi:10.1107/S1600536807057406

data_2216560
_publ_section_title
;
 <i>catena</i>-Poly[[aquadiphenyltin(IV)]-\m-2,6-pyridinedicarboxylato]
;
_journal_coeditor_code           HK2372
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3207
_journal_page_last               m3207
_journal_paper_doi               10.1107/S1600536807057406
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn (C6 H5)2 (C7 H3 N O4) (H2 O)]'
_chemical_formula_moiety         'C19 H15 N O5 Sn'
_chemical_formula_sum            'C19 H15 N O5 Sn'
_chemical_formula_weight         456.03
_chemical_name_systematic
;
catena-Poly[[aquadiphenyltin(IV)]-\m-2,6-pyridinedicarboxylato]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 100.915(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.779(2)
_cell_length_b                   9.807(2)
_cell_length_c                   19.334(4)
_cell_measurement_reflns_used    4957
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.177
_cell_measurement_theta_min      2.338
_cell_volume                     1820.6(6)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  'SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
'Bruker SMART CCD area-detector diffractometer'
_diffrn_measurement_method       '\f and \w 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  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0331
_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       22
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            9237
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    1.432
_exptl_absorpt_correction_T_max  0.533
_exptl_absorpt_correction_T_min  0.509
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.44
_refine_diff_density_max         0.715
_refine_diff_density_min         -1.329
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         3206
_refine_ls_restrained_S_all      1.168
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0341
_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^)+(0.0453P)^2^+4.0544P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0853
_refine_ls_wR_factor_ref         0.0935
_reflns_number_gt                2651
_reflns_number_total             3206
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2372.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2216560
_cod_database_fobs_code          2216560