Di-μ-methanolato-κ^4^<i>O</i>:<i>O</i>-bis[trichlorido(dimethylformamide-κ<i>O</i>)tin(IV)]
Zhang, Qijun; Yin, Handong; Wang, Daqi; Acta Crystallographica Section E 67 (2011) m146–; doi:10.1107/S1600536810053997

data_2229092
_publ_section_title
;
 Di-\m-methanolato-\k^4^<i>O</i>:<i>O</i>-bis[trichlorido(dimethylformamide-\k<i>O</i>)tin(IV)]
;
_journal_coeditor_code           HY2391
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m146
_journal_paper_doi               10.1107/S1600536810053997
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn2 (C H3 O)2 Cl6 (C3 H7 N O)2]'
_chemical_formula_moiety         'C8 H20 Cl6 N2 O4 Sn2'
_chemical_formula_sum            'C8 H20 Cl6 N2 O4 Sn2'
_chemical_formula_weight         658.34
_chemical_name_systematic
;
Di-\m-methanolato-\k^4^<i>O</i>:<i>O</i>-bis[trichlorido(dimethylformamide-
\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                 111.1550(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.589(8)
_cell_length_b                   11.4444(13)
_cell_length_c                   11.8453(10)
_cell_measurement_reflns_used    2694
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.99
_cell_measurement_theta_min      2.56
_cell_volume                     1085.9(10)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and X-SEED (Barbour, 2001)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       '\f and \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  0.0634
_diffrn_reflns_av_sigmaI/netI    0.0477
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5512
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.55
_exptl_absorpt_coefficient_mu    3.050
_exptl_absorpt_correction_T_max  0.6411
_exptl_absorpt_correction_T_min  0.5534
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.013
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.536
_refine_diff_density_min         -2.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     103
_refine_ls_number_reflns         1903
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0441
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0650P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1104
_refine_ls_wR_factor_ref         0.1169
_reflns_number_gt                1554
_reflns_number_total             1903
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            hy2391.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2229092
_cod_database_fobs_code          2229092