Synthesis, crystal structure and Hirshfeld surface of bis(2-aminopyridinium) hexachloridostannate(IV)
Ghallab, Rochdi; Boutebdja, Mehdi; Dénès, George; Merazig, Hocine; Acta Crystallographica Section E 76 (2020) 1279–1283; doi:10.1107/S205698902000941X

data_2243496
_publ_section_title
;
 Synthesis, crystal structure and Hirshfeld surface of
 bis(2-aminopyridinium) hexachloridostannate(IV)
;
_journal_coeditor_code           HB7922
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1279
_journal_page_last               1283
_journal_paper_doi               10.1107/S205698902000941X
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          '2C5 H7 N2 +, Cl6 Sn1 2-'
_chemical_formula_moiety         '2(C5 H7 N2 +), Cl6 Sn1 2-'
_chemical_formula_sum            'C10 H14 Cl6 N4 Sn'
_chemical_formula_weight         521.64
_chemical_name_systematic
;
Bis(2-aminopyridinium) hexachloridostannate(IV)
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                83.7910(10)
_cell_angle_beta                 82.5910(10)
_cell_angle_gamma                71.4070(10)
_cell_formula_units_Z            1
_cell_length_a                   7.45370(10)
_cell_length_b                   8.06740(10)
_cell_length_c                   8.10250(10)
_cell_measurement_reflns_used    1910
_cell_measurement_temperature    298
_cell_measurement_theta_max      27.1
_cell_measurement_theta_min      3.6
_cell_volume                     456.768(10)
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX2 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
ShelXL (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR2004 (Burla <i>et al.</i>,  2007)
;
_diffrn_ambient_temperature      296.15
_diffrn_detector                 'Bruker APEXII area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEXII area detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0212
_diffrn_reflns_av_unetI/netI     0.0154
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            10455
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.102
_diffrn_reflns_theta_min         3.554
_diffrn_source                   'microfocus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    2.273
_exptl_absorpt_correction_T_max  0.853
_exptl_absorpt_correction_T_min  0.834
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2016)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.896
_exptl_crystal_description       prism
_exptl_crystal_F_000             254
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.556
_refine_diff_density_min         -0.335
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     101
_refine_ls_number_reflns         2011
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0186
_refine_ls_R_factor_gt           0.0168
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0121P)^2^+0.2078P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0359
_refine_ls_wR_factor_ref         0.0367
_reflns_number_gt                1910
_reflns_number_total             2011
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb7922sup1.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C10 H14 Cl6 N4 Sn1'
_cod_database_code               2243496
_shelx_estimated_absorpt_t_min   0.839
_shelx_estimated_absorpt_t_max   0.857
_shelx_hkl_checksum              80733
_shelx_res_checksum              91656
_cod_database_fobs_code 2243496