Synthesis and Crystal Structure of (4-Dimethylaminopyridinium)-tetrachoroantimoniate
GHOUILI, Afef; CHAARI, Najla; ZOUARI, Fatma; X-ray Structure Analysis Online 26 (2010) 21–; doi:10.2116/xraystruct.26.21

data_1551765
_publ_section_title
;
 Synthesis and Crystal Structure of
 (4-Dimethylaminopyridinium)-tetrachoroantimoniate
;
_journal_name_full               'X-ray Structure Analysis Online'
_journal_page_first              21
_journal_paper_doi               10.2116/xraystruct.26.21
_journal_volume                  26
_journal_year                    2010
_chemical_formula_sum            'C7 H11 Cl4 N2 Sb'
_chemical_formula_weight         386.73
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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                 123.39
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.6692(5)
_cell_length_b                   15.1035(7)
_cell_length_c                   7.5223(3)
_cell_measurement_reflns_used    0.25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      40.42
_cell_measurement_theta_min      4.22
_cell_volume                     1296.67(9)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'Diamond (Brandenburg, 1999)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0289
_diffrn_reflns_av_sigmaI/netI    0.0207
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            20515
_diffrn_reflns_theta_full        40.42
_diffrn_reflns_theta_max         40.42
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    2.918
_exptl_absorpt_correction_T_max  0.751
_exptl_absorpt_correction_T_min  0.594
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Coppens et al., 1965)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.981
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.658
_refine_diff_density_min         -1.581
_refine_diff_density_rms         0.466
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.219
_refine_ls_hydrogen_treatment    fixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     66
_refine_ls_number_reflns         4103
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.219
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0316
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0746P)^2^+0.8242P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0975
_refine_ls_wR_factor_ref         0.1353
_reflns_number_gt                3435
_reflns_number_total             4103
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            26_21_1.cif
_cod_data_source_block           m
_cod_original_cell_volume        1296.70(9)
_cod_original_sg_symbol_H-M      C_2/c
_cod_database_code               1551765