Bis(tetraethylammonium) tetrabromocadmate
Geselle, M.; Fuess, H.; Acta Crystallographica Section C 50 (1994) 1582–1585; doi:10.1107/S0108270194005366

data_2010100
_publ_section_title
;
 Bis(tetraethylammonium) tetrabromocadmate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1582
_journal_page_last               1585
_journal_paper_doi               10.1107/S0108270194005366
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         '(C8 H20 N 1)2 2+, Cd Br4 2-'
_chemical_formula_structural     '(C8 H20 N 1)2 2+, Cd Br4 2-'
_chemical_formula_sum            'C16 H40 Br4 Cd N2'
_chemical_formula_weight         692.53
_chemical_name_common
;
bis(tetraethylammonium) tetrabromocadmate
;
_chemical_name_systematic
;
bis(tetraethylammonium) tetrabromocadmate
;
_space_group_IT_number           113
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   13.4530(9)
_cell_length_b                   13.4530(9)
_cell_length_c                   14.3945(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      10.822
_cell_measurement_theta_min      2.557
_cell_volume                     2605.2(3)
_computing_cell_refinement
;
Enraf-Nonius CAD4 software
;
_computing_data_collection
;
Enraf-Nonius CAD4 software
;
_computing_data_reduction        'Xtal3.2 (Hall, Flack & Stewart, 1992)'
_computing_molecular_graphics    Xtal3.2
_computing_publication_material  Xtal3.2_BONDLA_CIFIO
_computing_structure_refinement  Xtal3.2_CRYLSQ
_computing_structure_solution    Xtal3.2
_diffrn_ambient_temperature      298
_diffrn_measurement_device
;
Enraf-Nonius CAD4 four-circle diffractometer
;
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         Xray-tube
_diffrn_radiation_type           Mo_K\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  .048
_diffrn_reflns_av_sigmaI/netI    .056
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4842
_diffrn_reflns_theta_max         22.96
_diffrn_reflns_theta_min         1.41
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.92
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.49
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.225
_exptl_crystal_size_min          0.075
_refine_diff_density_max         1.37
_refine_diff_density_min         -1.21
_refine_ls_abs_structure_details none
_refine_ls_abs_structure_Flack   0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.826
_refine_ls_goodness_of_fit_obs   1.847
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     82
_refine_ls_number_reflns         740
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          .139
_refine_ls_R_factor_obs          .058
_refine_ls_shift/esd_max         .104
_refine_ls_shift/esd_mean        .015
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      w=?
_refine_ls_wR_factor_all         .097
_refine_ls_wR_factor_obs         .079
_reflns_number_observed          1401
_reflns_number_total             1106
_reflns_observed_criterion       refl_observed_if_F_>_2.00_sigma(F)
_cod_data_source_file            du1087.cif
_cod_data_source_block           TETBrCd
_cod_original_cell_volume        2605.2(4)
_cod_original_sg_symbol_Hall     P_-4_2ab
_cod_original_formula_sum        'C16 H40 Br4 Cd1 N2'
_cod_database_code               2010100