Triethylammonium bis(2-oxido-2,2-diphenylacetato-κ^2^<i>O</i>^1^,<i>O</i>^2^)antimonate(III)
Reza, Md. Yeamin; Hossain, Md. Motahar; Karim, Md. Rabiul; Tarafder, Md. Tofazzal Hossain; Hughes, David L.; Acta Crystallographica Section E 66 (2010) m116–m117; doi:10.1107/S1600536809054853

data_2225081
_publ_section_title
;
 Triethylammonium
 bis(2-oxido-2,2-diphenylacetato-\k^2^<i>O</i>^1^,<i>O</i>^2^)antimonate(III)
;
_journal_coeditor_code           PB2016
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m116
_journal_page_last               m117
_journal_paper_doi               10.1107/S1600536809054853
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '(C6 H16 N) [Sb (C14 H10 O3)2]'
_chemical_formula_moiety         'C6 H16 N +, C28 H20 O6 Sb -'
_chemical_formula_structural     '(C6 H16 N) [Sb (C14 H10 O3)2]'
_chemical_formula_sum            'C34 H36 N O6 Sb'
_chemical_formula_weight         676.39
_chemical_name_systematic
;
Triethylammonium
bis(2-oxido-2,2-diphenylacetato-\k^2^<i>O</i>^1^,<i>O</i>^2^)antimonate(III)
;
_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           'SHELXL-97 and CrysAlisPro RED'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.6466(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.34379(13)
_cell_length_b                   10.63317(12)
_cell_length_c                   22.5264(3)
_cell_measurement_reflns_used    33278
_cell_measurement_temperature    140.0(10)
_cell_measurement_theta_max      32.2804
_cell_measurement_theta_min      3.0851
_cell_volume                     2956.48(6)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2008)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2008)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction, 2008)
;
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and ORTEP-3 (Farrugia, 1997)'
_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      140.0(10)
_diffrn_detector_area_resol_mean 16.0050
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur 3/CCD'
_diffrn_measurement_method       'Thin-slice \f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0305
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            61564
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    0.981
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.911
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis RED; Oxford Diffraction, 2008)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.407
_refine_diff_density_min         -0.420
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         6772
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0226
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0274P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0465
_refine_ls_wR_factor_ref         0.0494
_reflns_number_gt                5645
_reflns_number_total             6772
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            pb2016.cif
_cod_data_source_block           I
_cod_original_cell_volume        2956.49(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2225081
_cod_database_fobs_code          2225081