Tris(cyclohexylammonium) <i>cis</i>-dichloridobis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV) chloride monohydrate
Sarr, Modou; Diallo, Waly; Diasse-Sarr, Aminata; Plasseraud, Laurent; Cattey, Hélène; Acta Crystallographica Section E 69 (2013) m581–m582; doi:10.1107/S1600536813026901

data_2238812
_publ_section_title
;
 Tris(cyclohexylammonium)
 <i>cis</i>-dichloridobis(oxalato-\k^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV)
 chloride monohydrate
;
_journal_coeditor_code           WM2771
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m581
_journal_page_last               m582
_journal_paper_doi               10.1107/S1600536813026901
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '(C6 H14 N)3 [Sn (C2 O4)2 Cl2] Cl, H2 O'
_chemical_formula_moiety         '3(C6 H14 N +), C4 Cl2 O8 Sn 2-, Cl -, H2 O'
_chemical_formula_sum            'C22 H44 Cl3 N3 O9 Sn'
_chemical_formula_weight         719.64
_chemical_name_systematic
;
Tris(cyclohexylammonium)
<i>cis</i>-dichloridobis(oxalato-\k^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV)
chloride monohydrate
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.5420(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.9894(10)
_cell_length_b                   12.3088(5)
_cell_length_c                   19.3457(7)
_cell_measurement_reflns_used    59056
_cell_measurement_temperature    115(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     6421.2(4)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       '<i>COLLECT</i> (Nonius, 1998)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 2012) and Mercury (Macrae <i>et al.</i>, 2008)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1993)'
_diffrn_ambient_temperature      115(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f scans (\k = 0) + additional \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  0.0283
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            10624
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.97
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.093
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2960
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.658
_refine_diff_density_min         -0.696
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.223
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         7264
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.223
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0490
_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^)+39.7649P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0865
_refine_ls_wR_factor_ref         0.0947
_reflns_number_gt                6028
_reflns_number_total             7264
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm2771.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2238812
_shelx_hkl_checksum              31586
_shelx_res_checksum              25127
_shelxl_version_number           .2013