<i>catena</i>-Poly[[tri-<i>n</i>-butyltin(IV)]-μ-pyridine-3-carboxylato-κ^2^<i>N</i>:O]
Tian-Duo Li; Hai-Ying You; Acta Crystallographica Section E 63 (2007) m1870–m1870; doi:10.1107/S1600536807027237

data_2214258
_publ_section_title
<i>catena</i>-Poly[[tri-<i>n</i>-butyltin(IV)]-\m-pyridine-3-carboxylato-\k^2^<i>N</i>:O]
_journal_coeditor_code           HK2268
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1870
_journal_page_last               m1870
_journal_paper_doi               10.1107/S1600536807027237
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn (C4 H9)3 (C6 H4 N O2)]'
_chemical_formula_moiety         'C18 H31 N O2 Sn'
_chemical_formula_sum            'C18 H31 N O2 Sn'
_chemical_formula_weight         412.13
_chemical_name_systematic
;
catena-Poly[[tri-n-butyltin(IV)]-\m-pyridine-3-carboxylato-\k^2^N:O]
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 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
_cell_angle_beta                 114.864(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.594(4)
_cell_length_b                   24.286(11)
_cell_length_c                   9.715(4)
_cell_measurement_reflns_used    3313
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.08
_cell_measurement_theta_min      2.311
_cell_volume                     2053.8(15)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART CCD 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  0.0370
_diffrn_reflns_av_sigmaI/netI    0.0565
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5123
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    1.251
_exptl_absorpt_correction_T_max  0.5966
_exptl_absorpt_correction_T_min  0.5292
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.41
_refine_diff_density_max         1.410
_refine_diff_density_min         -0.734
_refine_ls_abs_structure_details 'Flack (1983), 1798 Friedel pairs'
_refine_ls_abs_structure_Flack   0.06(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     219
_refine_ls_number_reflns         3260
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0584
_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^)+(0.1189P)^2^+1.6655P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1506
_refine_ls_wR_factor_ref         0.1628
_reflns_number_gt                2741
_reflns_number_total             3260
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2268.cif
_cod_data_source_block           I
_cod_original_cell_volume        2053.7(15)
_cod_original_sg_symbol_Hall     '-C 2yc'
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               2214258
_cod_database_fobs_code          2214258