Bis(μ-propan-2-olato-κ^2^<i>O</i>:<i>O</i>)bis[chlorido(propan-2-ol-κ<i>O</i>)bis(propan-1-olato-κ<i>O</i>)tin(IV)]
Klishin, Nikolai; Brusylovets, Oleksii; Brusilovets, Anatoliy; Rusanov, Eduard; Acta Crystallographica Section E 68 (2012) m337–m338; doi:10.1107/S1600536812007799

data_2233883
_publ_section_title
;
 Bis(\m-propan-2-olato-\k^2^<i>O</i>:<i>O</i>)bis[chlorido(propan-2-ol-\k<i>O</i>)bis(propan-1-olato-\k<i>O</i>)tin(IV)]
;
_journal_coeditor_code           HY2517
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m337
_journal_page_last               m338
_journal_paper_doi               10.1107/S1600536812007799
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Sn2 (C3 H7 O)6 Cl2 (C3 H8 O)2]'
_chemical_formula_moiety         'C24 H58 Cl2 O8 Sn2'
_chemical_formula_sum            'C24 H58 Cl2 O8 Sn2'
_chemical_formula_weight         783.02
_chemical_name_systematic
;
Bis(\m-propan-2-olato-\k^2^<i>O</i>:<i>O</i>)bis[chlorido(propan-2-ol-
\k<i>O</i>)bis(propan-2-olato-\k<i>O</i>)tin(IV)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 102.19(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.184(2)
_cell_length_b                   10.354(2)
_cell_length_c                   15.426(3)
_cell_measurement_reflns_used    9138
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.30
_cell_measurement_theta_min      2.39
_cell_volume                     1746.0(6)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0287
_diffrn_reflns_av_sigmaI/netI    0.0242
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16149
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    1.621
_exptl_absorpt_correction_T_max  0.6508
_exptl_absorpt_correction_T_min  0.4979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(DENZO/SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.445
_refine_diff_density_min         -0.320
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     175
_refine_ls_number_reflns         3539
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0207
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0098P)^2^+1.9079P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0416
_refine_ls_wR_factor_ref         0.0452
_reflns_number_gt                3075
_reflns_number_total             3539
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2517.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2233883
_cod_database_fobs_code          2233883