Bis(chloroacetato-κ^2^<i>O</i>,<i>O</i>')bis(2-fluorobenzyl-κ<i>C</i>^1^)tin(IV)
Deng, Aixia; Teng, Mouyong; Xie, Qian; Yan, Nana; Acta Crystallographica Section E 67 (2011) m1905–; doi:10.1107/S1600536811051002

data_2232557
_publ_section_title
;
 Bis(chloroacetato-\k^2^<i>O</i>,<i>O</i>')bis(2-fluorobenzyl-\k<i>C</i>^1^)tin(IV)
;
_journal_coeditor_code           BH2395
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1905
_journal_paper_doi               10.1107/S1600536811051002
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn (C2 H2 Cl O2)2 (C7 H6 F)2]'
_chemical_formula_moiety         'C18 H16 Cl2 F2 O4 Sn'
_chemical_formula_sum            'C18 H16 Cl2 F2 O4 Sn'
_chemical_formula_weight         523.90
_chemical_melting_point          464
_chemical_name_systematic
;
Bis(chloroacetato-\k^2^<i>O</i>,<i>O</i>')bis(2-fluorobenzyl-
\k<i>C</i>^1^)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                 93.7600(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.3841(18)
_cell_length_b                   5.0480(8)
_cell_length_c                   22.808(2)
_cell_measurement_reflns_used    1705
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.025
_cell_measurement_theta_min      2.858
_cell_volume                     1997.2(4)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector'
_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  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0412
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            4738
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    1.585
_exptl_absorpt_correction_T_max  0.8325
_exptl_absorpt_correction_T_min  0.6564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.711
_refine_diff_density_min         -0.264
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     123
_refine_ls_number_reflns         1754
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0329
_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^)+(0.0342P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0688
_refine_ls_wR_factor_ref         0.0712
_reflns_number_gt                1551
_reflns_number_total             1754
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2395.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2232557
_cod_database_fobs_code          2232557