Tetramethylammonium bis(2-benzoylbenzoato-κ<i>O</i>)triphenylstannate(IV)
Cheikh Abdoul Khadir Diop; Assane Touré; Libasse Diop; Augustin Sanchez-Dias; Alfonso Castineiras; Umberto Russo; Acta Crystallographica Section E 63 (2007) m465–m467; doi:10.1107/S160053680700058X

data_2212311
_publ_section_title
;
 Tetramethylammonium
 bis(2-benzoylbenzoato-\k<i>O</i>)triphenylstannate(IV)
;
_journal_coeditor_code           NG2199
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m465
_journal_page_last               m467
_journal_paper_doi               10.1107/S160053680700058X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C4 H12 N) [Sn (C6 H5)3 (C14 H9 O3)2]'
_chemical_formula_moiety         'C50 H45 N O6 Sn'
_chemical_formula_sum            'C50 H45 N O6 Sn'
_chemical_formula_weight         874.56
_chemical_name_systematic
;
Tetramethylammonium bis(2-benzoylbenzoato-\k<i>O</i>)triphenylstannate(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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.793(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7481(11)
_cell_length_b                   29.787(5)
_cell_length_c                   14.704(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13.83
_cell_measurement_theta_min      13.16
_cell_volume                     4219.4(17)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'GENHKL (Kretschmar, 1997)'
_computing_molecular_graphics    'PLATON99 (Spek, 1999)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf--Nonius MACH3'
_diffrn_measurement_method       \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  0.0543
_diffrn_reflns_av_sigmaI/netI    0.2400
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            18605
_diffrn_reflns_theta_full        34.24
_diffrn_reflns_theta_max         34.24
_diffrn_reflns_theta_min         2.22
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.657
_exptl_absorpt_correction_T_max  0.8273
_exptl_absorpt_correction_T_min  0.7348
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '\y scan (North <i>et al.</i>,  1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.663
_refine_diff_density_min         -1.878
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     527
_refine_ls_number_reflns         17529
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.2418
_refine_ls_R_factor_gt           0.0528
_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^)+(0.0351P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0908
_refine_ls_wR_factor_ref         0.1211
_reflns_number_gt                6852
_reflns_number_total             17529
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2199.cif
_cod_data_source_block           I
_cod_original_cell_volume        4219.3(16)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2212311
_cod_database_fobs_code          2212311