<i>catena</i>-Poly[[di-<i>n</i>-butyltin(IV)]-μ-trifluoromethanesulfonato-[[di-<i>n</i>-butyl(trifluoromethanesulfonato)tin(IV)]-di-μ-hydroxo]]
Ballivet-Tkatchenko, Danielle; Cattey, Hélène; Plasseraud, Laurent; Richard, Philippe; Acta Crystallographica Section E 62 (2006) m2820–m2822; doi:10.1107/S160053680603964X

data_2211131
_publ_section_title
<i>catena</i>-Poly[[di-<i>n</i>-butyltin(IV)]-\m-trifluoromethanesulfonato-[[di-<i>n</i>-butyl(trifluoromethanesulfonato)tin(IV)]-di-\m-hydroxo]]
_journal_coeditor_code           NG2109
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2820
_journal_page_last               m2822
_journal_paper_doi               10.1107/S160053680603964X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Sn2 (C F3 O3 S)2 (C4 H9)4 (O H)2]'
_chemical_formula_moiety         'C18 H38 F6 O8 S2 Sn2'
_chemical_formula_sum            'C18 H38 F6 O8 S2 Sn2'
_chemical_formula_weight         797.98
_chemical_name_systematic
;
catena-Poly[[di-n-butyltin(IV)]-\m-trifluoromethanesulfonato-
[[di-n-butyl(trifluoromethanesulfonato)tin(IV)]-di-\m-hydroxo]]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                85.212(2)
_cell_angle_beta                 80.197(2)
_cell_angle_gamma                75.255(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8810(4)
_cell_length_b                   11.9158(5)
_cell_length_c                   13.4110(5)
_cell_measurement_reflns_used    3814
_cell_measurement_temperature    115(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     1503.38(11)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'KappaCCD Server Software (Nonius, 1997)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material  'SHELXL97 and WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF99 (Beurskens <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      115(2)
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       '\f scans (\k = 0) + additional \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  0.0493
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25813
_diffrn_reflns_theta_full        27.7
_diffrn_reflns_theta_max         27.7
_diffrn_reflns_theta_min         2.43
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.874
_exptl_absorpt_correction_T_max  0.626
_exptl_absorpt_correction_T_min  0.516
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       flat
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.053
_refine_diff_density_min         -0.889
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.11
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         6711
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.11
_refine_ls_R_factor_gt           0.0345
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0418P)^2^+2.5733P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0874
_reflns_number_gt                5992
_reflns_number_total             6711
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2109.cif
_cod_data_source_block           I
_cod_original_cell_volume        1503.38(10)
_cod_database_code               2211131
_cod_database_fobs_code          2211131