Redetermination of [(μ-OEt)~2~{SnCl~3~(EtOH)}~2~]
Genge, A. R. J.; Levason, W.; Reid, G.; Acta Crystallographica Section C 52 (1996) 1666–1668; doi:10.1107/S0108270196002909

data_2005096
_publ_section_title
;
 Redetermination of [(\m-OEt)~2~{SnCl~3~(EtOH)}~2~]
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1666
_journal_page_last               1668
_journal_paper_doi               10.1107/S0108270196002909
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Sn2 Cl6 (C2 H5 O1)2 (C2 H6 O1)2]'
_chemical_formula_moiety         'C8 H22 Cl6 O4 Sn2'
_chemical_formula_structural     (\m~2~-OEt)~2~[SnCl~3~(EtOH)]~2~
_chemical_formula_sum            'C8 H22 Cl6 O4 Sn2'
_chemical_formula_weight         632.36
_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'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 107.08(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.653(3)
_cell_length_b                   7.472(3)
_cell_length_c                   14.627(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      20.85
_cell_measurement_theta_min      15.55
_cell_volume                     1008.5(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1995)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      150.0
_diffrn_measurement_device       'Rigaku AFC-7S'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            2043
_diffrn_reflns_theta_max         24.97
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.276
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.749
_exptl_absorpt_correction_type
'empirical via \y scan (North, Phillips & Mathews, 1968)'
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.082
_exptl_crystal_density_meas      ?
_exptl_crystal_description       'plate-like needle'
_exptl_crystal_F_000             608
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.66
_refine_diff_density_min         -0.78
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.28
_refine_ls_goodness_of_fit_obs   1.32
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     91
_refine_ls_number_reflns         1428
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_obs          0.0247
_refine_ls_shift/esd_max         <0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'sigma; w= 1/\s^2^(F)'
_refine_ls_wR_factor_all         0.0315
_refine_ls_wR_factor_obs         0.0291
_reflns_number_observed          1428
_reflns_number_total             1925
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            bm1062.cif
_cod_data_source_block           AGSn3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2005096