Crystal structure of bis(cyclohexylammonium) diphenyldioxalatostannate(IV)
Sarr, Modou; Diasse-Sarr, Aminata; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène; Acta Crystallographica Section E 71 (2015) 151–153; doi:10.1107/S2056989014027716

data_2240375
_publ_section_title
;
 Crystal structure of bis(cyclohexylammonium)
 diphenyldioxalatostannate(IV)
;
_journal_coeditor_code           WM5103
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              151
_journal_page_last               153
_journal_paper_doi               10.1107/S2056989014027716
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '(C6 H14 N)2 [Sn (C6 H5)2 (C2 O2)2]'
_chemical_formula_moiety         '2(C6 H14 N +), C16 H10 O8 Sn 2-'
_chemical_formula_sum            'C28 H38 N2 O8 Sn'
_chemical_formula_weight         649.29
_chemical_name_systematic
;
Bis(cyclohexylammonium) diphenyldioxalatostannate(IV)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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     iterative
_cell_angle_alpha                90
_cell_angle_beta                 90.2880(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.0084(6)
_cell_length_b                   8.9010(3)
_cell_length_c                   20.8060(8)
_cell_measurement_reflns_used    9926
_cell_measurement_temperature    115
_cell_measurement_theta_max      27.59
_cell_measurement_theta_min      2.49
_cell_volume                     2964.63(19)
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov <i>et al.</i>,  2009) and Mercury (Macrae <i>et
al.</i>, 2008)
;
_computing_publication_material
;
OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      115
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0253
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            30318
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.624
_diffrn_reflns_theta_min         2.545
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.911
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2014)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.455
_exptl_crystal_description       prism
_exptl_crystal_F_000             1336
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.366
_refine_diff_density_min         -0.383
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         6831
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0251
_refine_ls_R_factor_gt           0.0198
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0188P)^2^+1.6859P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0451
_refine_ls_wR_factor_ref         0.0476
_reflns_number_gt                6077
_reflns_number_total             6831
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm5103sup1.cf
_cod_data_source_block           I
_cod_database_code               2240375
_cod_database_fobs_code          2240375
_shelx_hkl_checksum              58200
_shelx_res_checksum              48986