Crystal structure and Hirshfeld surface analysis of bis[hydrazinium(1+)] hexafluoridosilicate: (N~2~H~5~)~2~SiF~6~
Ouasri, Ali; Lambarki, Fatima; Rhandour, Ali; Saadi, Mohamed; El Ammari, Lahcen; Acta Crystallographica Section E 75 (2019) 1507–1510; doi:10.1107/S2056989019012672

data_2243612
_publ_section_title
;
 Crystal structure and Hirshfeld surface analysis of bis[hydrazinium(1+)]
 hexafluoridosilicate: (N~2~H~5~)~2~SiF~6~
;
_journal_coeditor_code           HB7850
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1507
_journal_page_last               1510
_journal_paper_doi               10.1107/S2056989019012672
_journal_volume                  75
_journal_year                    2019
_chemical_formula_moiety         'F6 H10 N4 Si'
_chemical_formula_structural     '(N2 H5)2 (Si F6)'
_chemical_formula_sum            'F6 H10 N4 Si'
_chemical_formula_weight         208.21
_chemical_name_systematic
;
Bis[hydrazinium(1+)] hexafluoridosilicate
;
_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
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 100.2450(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.9496(3)
_cell_length_b                   5.2484(2)
_cell_length_c                   11.0029(5)
_cell_measurement_reflns_used    1488
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      34.964
_cell_measurement_theta_min      3.650
_cell_volume                     338.10(3)
_computing_cell_refinement
;
SAINT-Plus (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT-Plus (Bruker, 2016)
;
_computing_molecular_graphics
;
Ortep-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
Mercury (Macrae <i>et al.</i>, 2008)and publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
<i>SHELXL2014/7</i> (Sheldrick, 2015b)
;
_computing_structure_solution
;
<i>SHELXT2014/7</i> (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296(2)
_diffrn_detector                 'PHOTON100 CMOS area-detector'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 VENTURE Super DUO'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'HELIOS mirror optics'
_diffrn_radiation_source         'INCOATEC I\mS micro-focus source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_unetI/netI     0.0142
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19683
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.964
_diffrn_reflns_theta_min         3.650
_exptl_absorpt_coefficient_mu    0.416
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.6379
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause <i>et al.</i>, 2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.045
_exptl_crystal_description       Block
_exptl_crystal_F_000             212
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.267
_refine_diff_density_min         -0.221
_refine_ls_extinction_coef       0.093(10)
_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   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     54
_refine_ls_number_reflns         1488
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0206
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0348P)^2^+0.0360P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0575
_refine_ls_wR_factor_ref         0.0586
_reflns_number_gt                1379
_reflns_number_total             1488
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb7850sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2243612
_cod_database_fobs_code          2243612
_shelx_hkl_checksum              89304
_shelx_res_checksum              99684