Dibenzylazanium (oxalato-κ^2^<i>O</i>,<i>O</i>')triphenylstannate(IV)
Gueye, Ndongo; Diop, Libasse; Molloy, Kieran C.; Kociok-Köhn, Gabrielle; Acta Crystallographica Section E 68 (2012) m854–m855; doi:10.1107/S1600536812021125

data_2235119
_publ_section_title
;
 Dibenzylazanium (oxalato-\k^2^<i>O</i>,<i>O</i>')triphenylstannate(IV)
;
_journal_coeditor_code           KP2394
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m854
_journal_page_last               m855
_journal_paper_doi               10.1107/S1600536812021125
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '(C14 H16 N) [Sn (C6 H5)3 (C2 O2)]'
_chemical_formula_moiety         'C14 H16 N +, C20 H15 O4 Sn -'
_chemical_formula_sum            'C34 H31 N O4 Sn'
_chemical_formula_weight         636.31
_chemical_name_systematic
;
Dibenzylazanium (oxalato-\k^2^<i>O</i>,<i>O</i>')triphenylstannate(IV)
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                110.4440(10)
_cell_angle_beta                 96.0820(10)
_cell_angle_gamma                93.3840(10)
_cell_formula_units_Z            4
_cell_length_a                   9.8575(2)
_cell_length_b                   16.8894(3)
_cell_length_c                   18.9812(4)
_cell_measurement_reflns_used    70274
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     2928.74(10)
_computing_cell_refinement       'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics
;
ORTEPIII (Burnett & Johnson, 1996), ORTEP-3 for Windows (Farrugia,
1997)
and PLATON (Spek, 2009)
;
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '305 2.0 degree images with \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  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0456
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            56750
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.24
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.911
_exptl_absorpt_correction_T_max  0.9144
_exptl_absorpt_correction_T_min  0.7120
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.860
_refine_ls_abs_structure_details 'Flack (1983), with 10508 Fridel pairs'
_refine_ls_abs_structure_Flack   0.438(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1424
_refine_ls_number_reflns         22474
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0311
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0332P)^2^+0.5140P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0662
_refine_ls_wR_factor_ref         0.0702
_reflns_number_gt                20136
_reflns_number_total             22478
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            kp2394.cif
_cod_data_source_block           I
_cod_original_cell_volume        2928.73(10)
_cod_database_code               2235119
_cod_database_fobs_code          2235119