Bis(μ-3-nitrobenzoato)-1:2κ^2^<i>O</i>:<i>O</i>';3:4κ^2^<i>O</i>:<i>O</i>'-bis(3-nitrobenzoato)-1κ^2^<i>O</i>,<i>O</i>';3κ^2^<i>O</i>,<i>O</i>'-di-μ~3~-oxo-1:2:4κ^3^<i>O</i>;2:3:4κ^3^<i>O</i>-tetrakis[di-<i>n</i>-butyltin(IV)]
Min Hong; Han-Dong Yin; Da-Qi Wang; Acta Crystallographica Section E 61 (2005) m2008–m2010; doi:10.1107/S1600536805028369

data_2206858
_publ_section_title
Bis(\m-3-nitrobenzoato)-1:2\k^2^<i>O</i>:<i>O</i>';3:4\k^2^<i>O</i>:<i>O</i>'-bis(3-nitrobenzoato)-1\k^2^<i>O</i>,<i>O</i>';3\k^2^<i>O</i>,<i>O</i>'-di-\m~3~-oxo-1:2:4\k^3^<i>O</i>;2:3:4\k^3^<i>O</i>-tetrakis[di-<i>n</i>-butyltin(IV)]
_journal_coeditor_code           BR6213
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2008
_journal_page_last               m2010
_journal_paper_doi               10.1107/S1600536805028369
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Sn4 O2 (C4 H9)8 (C7 H4 N O4)4 O2]'
_chemical_formula_moiety         'C60 H88 N4 O18 Sn4'
_chemical_formula_sum            'C60 H88 N4 O18 Sn4'
_chemical_formula_weight         1628.10
_chemical_melting_point          388
_chemical_name_systematic
;
Bis(\m-3-nitrobenzoato)-1:2\k^2^O:O';3:4\k^2^O:O'-bis(3-nitrobenzoato)-
1\k^2^O,O';3\k^2^O,O'-di-\m~3~-oxo-1:2:4\k^3^O;2:3:4\k^3^O-
tetrakis[di-n-butyltin(IV)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 94.903(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.7885(13)
_cell_length_b                   11.6149(13)
_cell_length_c                   25.301(3)
_cell_measurement_reflns_used    5842
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.977
_cell_measurement_theta_min      2.385
_cell_volume                     3451.6(7)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      571(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 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  0.0349
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            17627
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    1.498
_exptl_absorpt_correction_T_max  0.6706
_exptl_absorpt_correction_T_min  0.5787
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1640
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.792
_refine_diff_density_min         -0.562
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         6064
_refine_ls_number_restraints     243
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0701
_refine_ls_R_factor_gt           0.0386
_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^)+(0.0576P)^2^+4.7483P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.1137
_reflns_number_gt                4273
_reflns_number_total             6064
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br6213.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2206858
_cod_database_fobs_code          2206858