A new organic‒inorganic compound, ethylenediammonium hexachloridostannate(IV) <i>p</i>-anisaldehyde disolvate
Ndiolene, Adrienne; Diop, Tidiane; Boye, Mouhamadou Sembène; Diasse-Sarr, Aminata; Englert, Ulli; Acta Crystallographica Section E 77 (2021) 696–699; doi:10.1107/S205698902100579X

data_2243850
_publ_section_title
;
 A new organic--inorganic compound, ethylenediammonium
 hexachloridostannate(IV) <i>p</i>-anisaldehyde disolvate
;
_journal_coeditor_code           CQ2042
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              696
_journal_page_last               699
_journal_paper_doi               10.1107/S205698902100579X
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          '(C2 H10 N2) [Sn Cl6], 2C8 H8 O2'
_chemical_formula_moiety         'C2 H10 N2 2+, Cl6 Sn 4-, 2(C8 H8 O2)'
_chemical_formula_sum            'C18 H26 Cl6 N2 O4 Sn'
_chemical_formula_weight         665.80
_chemical_name_common
;
Ethylenediammonium hexachloridostannate(IV) <i>p</i>-anisaldehyde disolvate
;
_chemical_name_systematic
;
Ethane-1,2-diaminium hexachloridostannate(IV)--4-methoxybenzaldehyde (1/2)
;
_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'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 90.948(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.9762(12)
_cell_length_b                   22.806(4)
_cell_length_c                   8.0394(13)
_cell_measurement_reflns_used    4273
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.34
_cell_measurement_theta_min      2.69
_cell_volume                     1278.9(4)
_computing_cell_refinement
;
SAINT (Bruker, 2009)
;
_computing_data_collection
;
SMART (Bruker, 2002)
;
_computing_data_reduction
;
SAINT (Bruker, 2009)
;
_computing_molecular_graphics
;
PLATON (Spek, 2020)
;
_computing_publication_material
;
<i>SHELXL2018/3 (Sheldrick, 2015b)</i>
;
_computing_structure_refinement
;
<i>SHELXL2018/3 (Sheldrick, 2015b)</i>
;
_computing_structure_solution
;
SHELXT (Sheldrick 2015a)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker D8 gonimeter with APEX CCD detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_source         'Incoatec microsource'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1122
_diffrn_reflns_av_unetI/netI     0.0591
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3929
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.921
_diffrn_reflns_theta_min         1.786
_exptl_absorpt_coefficient_mu    1.653
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause <i>et al.</i>,  2015)
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_description       block
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.130
_refine_diff_density_max         2.913
_refine_diff_density_min         -2.694
_refine_ls_extinction_coef       0.0073(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL-2018/3 (Sheldrick 2015b)
;
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         3929
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0774
_refine_ls_R_factor_gt           0.0616
_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^)+(0.0900P)^2^+3.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1521
_refine_ls_wR_factor_ref         0.1639
_reflns_number_gt                3182
_reflns_number_total             3929
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cq2042sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2243850
_shelx_estimated_absorpt_t_min   0.766
_shelx_estimated_absorpt_t_max   0.814
_shelx_hkl_checksum              77636
_shelx_res_checksum              42185
_cod_database_fobs_code 2243850