(μ-2,2'-Biquinolinyl-4,4'-dicarboxylato-κ^2^<i>O</i>:<i>O</i>')bis[(dimethylformamide-κ<i>O</i>)triphenyltin(IV)]
Li-Bin Wang; Acta Crystallographica Section E 63 (2007) m1883–m1883; doi:10.1107/S1600536807028048

data_2214437
_publ_section_title
(\m-2,2'-Biquinolinyl-4,4'-dicarboxylato-\k^2^<i>O</i>:<i>O</i>')bis[(dimethylformamide-\k<i>O</i>)triphenyltin(IV)]
_journal_coeditor_code           WW2083
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1883
_journal_page_last               m1883
_journal_paper_doi               10.1107/S1600536807028048
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn2 (C6 H5)6 (C10 H5 N O2)2 (C3 H7 N O)2]'
_chemical_formula_moiety         'C62 H54 N4 O6 Sn2'
_chemical_formula_sum            'C62 H54 N4 O6 Sn2'
_chemical_formula_weight         1188.47
_chemical_name_systematic
;
(\m-2,2'-Biquinolinyl-4,4'-dicarboxylato-\k^2^O:O')bis[(dimethylformamide-
\kO)triphenyltin(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                 123.051(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.4592(17)
_cell_length_b                   9.5344(5)
_cell_length_c                   22.0343(14)
_cell_measurement_reflns_used    6203
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      1.6
_cell_volume                     5363.5(5)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_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 0.993
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_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  0.0325
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            15947
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.60
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.987
_exptl_absorpt_correction_T_max  0.678
_exptl_absorpt_correction_T_min  0.590
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2408
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.39
_refine_diff_density_max         2.817
_refine_diff_density_min         -1.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         6203
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0540
_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^)+(0.1137P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1630
_refine_ls_wR_factor_ref         0.1700
_reflns_number_gt                4618
_reflns_number_total             6203
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ww2083.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2214437
_cod_database_fobs_code          2214437