Bis(chloroacetato-κ<i>O</i>)bis(trimethylsilylmethyl)tin(IV)
Ding, Rui-Fang; Wang, Qi-Bao; Acta Crystallographica Section E 67 (2011) m1190–; doi:10.1107/S1600536811028649

data_2231587
_publ_section_title
;
 Bis(chloroacetato-\k<i>O</i>)bis(trimethylsilylmethyl)tin(IV)
;
_journal_coeditor_code           LH5269
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1190
_journal_paper_doi               10.1107/S1600536811028649
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn (C2 H2 Cl O2)2 (C4 H11 Si)2]'
_chemical_formula_moiety         'C12 H26 Cl2 O4 Si2 Sn'
_chemical_formula_sum            'C12 H26 Cl2 O4 Si2 Sn'
_chemical_formula_weight         480.10
_chemical_name_systematic
;
Bis(chloroacetato-\k<i>O</i>)bis(trimethylsilylmethyl)tin(IV)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                71.529(2)
_cell_angle_beta                 88.733(3)
_cell_angle_gamma                74.457(3)
_cell_formula_units_Z            2
_cell_length_a                   10.258(3)
_cell_length_b                   10.767(3)
_cell_length_c                   10.808(3)
_cell_measurement_reflns_used    4282
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.20
_cell_measurement_theta_min      2.36
_cell_volume                     1088.2(5)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART 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  0.0289
_diffrn_reflns_av_sigmaI/netI    0.0441
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6849
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    1.538
_exptl_absorpt_correction_T_max  0.7800
_exptl_absorpt_correction_T_min  0.6726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.663
_refine_diff_density_min         -0.465
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     197
_refine_ls_number_reflns         3792
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0318
_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^)+(0.0478P)^2^+0.2466P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0833
_refine_ls_wR_factor_ref         0.0894
_reflns_number_gt                3311
_reflns_number_total             3792
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5269.cif
_cod_data_source_block           I
_cod_database_code               2231587
_cod_database_fobs_code          2231587