<i>catena</i>-Poly[[tribenzyltin(IV)]-μ-2-(piperidin-1-ylcarbothioylsulfanyl)acetato-κ^2^<i>O</i>:<i>O</i>']
Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng; Acta Crystallographica Section E 66 (2010) m1222–; doi:10.1107/S1600536810035221

data_2227223
_publ_section_title
;
 <i>catena</i>-Poly[[tribenzyltin(IV)]-\m-2-(piperidin-1-ylcarbothioylsulfanyl)acetato-\k^2^<i>O</i>:<i>O</i>']
;
_journal_coeditor_code           BT5336
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1222
_journal_paper_doi               10.1107/S1600536810035221
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Sn (C7 H7)3 (C8 H12 N O2 S2)]'
_chemical_formula_moiety         'C29 H33 N O2 S2 Sn'
_chemical_formula_sum            'C29 H33 N O2 S2 Sn'
_chemical_formula_weight         610.37
_chemical_name_systematic
;
<i>catena</i>-Poly[[tribenzyltin(IV)]-\m-2-(piperidin-1-\
ylcarbothioylsulfanyl)acetato-\k^2^<i>O</i>:<i>O'</i>]
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                79.4940(10)
_cell_angle_beta                 81.8900(10)
_cell_angle_gamma                75.2940(10)
_cell_formula_units_Z            2
_cell_length_a                   10.7500(7)
_cell_length_b                   11.3594(7)
_cell_length_c                   12.5494(8)
_cell_measurement_reflns_used    6011
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.8
_cell_measurement_theta_min      2.3
_cell_volume                     1450.15(16)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'pubCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       '\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  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13931
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.050
_exptl_absorpt_correction_T_max  0.9023
_exptl_absorpt_correction_T_min  0.7436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Wedge
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.749
_refine_diff_density_min         -0.406
_refine_ls_abs_structure_details 'Flack (1983), 4513 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.01(2)
_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     559
_refine_ls_number_reflns         11121
_refine_ls_number_restraints     89
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0345
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0488P)^2^+] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0861
_refine_ls_wR_factor_ref         0.0951
_reflns_number_gt                9448
_reflns_number_total             11121
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5336.cif
_cod_data_source_block           I
_cod_database_code               2227223
_cod_database_fobs_code          2227223