Bis(4-nitrobenzoato)bis(trimethylsilylmethyl)tin(IV)
Lin, Sen; Wang, Guo-Yong; Fang, Xiao-Niu; Deng, Rui-Hong; Lu, Zhi-Qiang; Acta Crystallographica Section E 62 (2006) m128–m129; doi:10.1107/S1600536805041449

data_2207812
_publ_section_title
;
 Bis(4-nitrobenzoato)bis(trimethylsilylmethyl)tin(IV)
;
_journal_coeditor_code           JH6029
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m128
_journal_page_last               m129
_journal_paper_doi               10.1107/S1600536805041449
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Sn (C7 H4 N2 O3)2 (C4 H11 Si)2]'
_chemical_formula_moiety         'C22 H30 N2 O8 Si2 Sn'
_chemical_formula_sum            'C22 H30 N2 O8 Si2 Sn'
_chemical_formula_weight         625.35
_chemical_melting_point          411.5
_chemical_name_systematic
;
Bis(4-nitrobenzoato)bis(trimethylsilylmethyl)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
_cell_angle_alpha                90.00
_cell_angle_beta                 100.0560(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2840(6)
_cell_length_b                   13.2343(7)
_cell_length_c                   18.0000(9)
_cell_measurement_reflns_used    5648
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.2
_cell_measurement_theta_min      2.3
_cell_volume                     2881.3(3)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        APEX2
_computing_molecular_graphics    APEX2
_computing_publication_material  APEX2
_computing_structure_refinement  APEX2
_computing_structure_solution    APEX2
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_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  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0221
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19783
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    1.014
_exptl_absorpt_correction_T_max  0.7488
_exptl_absorpt_correction_T_min  0.6517
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.339
_refine_diff_density_min         -0.409
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         6218
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0248
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0389P)^2^+0.3107P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0657
_refine_ls_wR_factor_ref         0.0688
_reflns_number_gt                5138
_reflns_number_total             6218
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jh6029.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2207812
_cod_database_fobs_code          2207812