Dichloridobis[2-(ethoxycarbonyl)ethyl-κ^2^<i>C</i>,<i>O</i>]tin(IV)
Dong, Yan; Acta Crystallographica Section E 63 (2007) m2917–m2917; doi:10.1107/S1600536807053731

data_2216478
_publ_section_title
;
 Dichloridobis[2-(ethoxycarbonyl)ethyl-\k^2^<i>C</i>,<i>O</i>]tin(IV)
;
_journal_coeditor_code           HB2617
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2917
_journal_page_last               m2917
_journal_paper_doi               10.1107/S1600536807053731
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn Cl2 (C5 H9 O2)2]'
_chemical_formula_moiety         'C10 H18 Cl2 O4 Sn'
_chemical_formula_sum            'C10 H18 Cl2 O4 Sn'
_chemical_formula_weight         391.83
_chemical_name_systematic
;
Dichloridobis[2-(ethoxycarbonyl)ethyl-\k^2^C,O]tin(IV)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.304(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.251(5)
_cell_length_b                   9.321(2)
_cell_length_c                   9.053(2)
_cell_measurement_reflns_used    3340
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      26.95
_cell_measurement_theta_min      2.23
_cell_volume                     1544.9(6)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6017
_diffrn_reflns_theta_full        26.49
_diffrn_reflns_theta_max         26.49
_diffrn_reflns_theta_min         2.22
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.999
_exptl_absorpt_correction_T_max  0.8406
_exptl_absorpt_correction_T_min  0.6674
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.685
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.371
_refine_diff_density_min         -0.295
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     85
_refine_ls_number_reflns         1597
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0243
_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^)+(0.0293P)^2^+0.6231P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0628
_reflns_number_gt                1454
_reflns_number_total             1597
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2617.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2216478
_cod_database_fobs_code          2216478