Tetrachloridodi-μ~3~-oxido-tetrakis(μ~2~-propan-2-olato-κ^2^<i>O</i>:<i>O</i>)ditin(II)ditin(IV)
Yarushnikov, Oleg; Naumova, Dina; Klishin, Nikolai; Rusanov, Eduard; Brusylovets, Oleksii; Acta Crystallographica Section E 70 (2014) m45–m46; doi:10.1107/S1600536814000816

data_2238977
_publ_section_title
;
 Tetrachloridodi-\m~3~-oxido-tetrakis(\m~2~-propan-2-olato-\k^2^<i>O</i>:<i>O</i>)ditin(II)ditin(IV)
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_journal_coeditor_code           HY2641
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m45
_journal_page_last               m46
_journal_paper_doi               10.1107/S1600536814000816
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Sn4 (C3 H7 O)4 Cl4 O2]'
_chemical_formula_moiety         'C12 H28 Cl4 O6 Sn4'
_chemical_formula_sum            'C12 H28 Cl4 O6 Sn4'
_chemical_formula_weight         884.98
_chemical_name_systematic
Tetrachloridodi-\m~3~-oxido-tetrakis(\m~2~-propan-2-olato-\k^2^<i>O</i>:<i>O</i>)ditin(II)ditin(IV)
_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                 105.474(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.4423(3)
_cell_length_b                   17.8302(7)
_cell_length_c                   11.6843(5)
_cell_measurement_reflns_used    3853
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      31.05
_cell_measurement_theta_min      2.14
_cell_volume                     1293.50(10)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla <i>et al.</i>, 2005)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w scans with \k offset'
_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  0.0411
_diffrn_reflns_av_sigmaI/netI    0.0484
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14221
_diffrn_reflns_theta_full        31.05
_diffrn_reflns_theta_max         31.05
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    4.252
_exptl_absorpt_correction_T_max  0.6294
_exptl_absorpt_correction_T_min  0.3097
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(DENZO/SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.272
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.929
_refine_diff_density_min         -0.799
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_reflns         3853
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0379
_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^)+(0.0000P)^2^+2.1387P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0558
_refine_ls_wR_factor_ref         0.0611
_reflns_number_gt                2930
_reflns_number_total             3853
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2641sup1.cf
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2238977
_cod_database_fobs_code          2238977