Tetraethylammonium Perchlorate at 150 K
Kivikoski, J.; Howard, J. A. K.; Kelly, P.; Parker, D.; Acta Crystallographica Section C 51 (1995) 535–536; doi:10.1107/S0108270194008619

data_2003264
_publ_section_title
;
 Tetraethylammonium Perchlorate at 150 K
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              535
_journal_page_last               536
_journal_paper_doi               10.1107/S0108270194008619
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C8 H20 Cl N O4'
_chemical_formula_structural     '((C2H5)4 N) (Cl O4)'
_chemical_formula_sum            'C8 H20 Cl N O4'
_chemical_formula_weight         229.70
_chemical_name_systematic        'Tetraethylammonium perchlorate'
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_type_scat_source           IntTabIV
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90.000
_cell_angle_beta                 114.86(3)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   12.514(5)
_cell_length_b                   7.433(4)
_cell_length_c                   13.956(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      8
_cell_volume                     1177.9(10)
_computing_cell_refinement       MSC/AFC
_computing_data_collection       MSC/AFC
_computing_data_reduction        'TEXSAN Version 5.0 (MSC, 1989)'
_computing_molecular_graphics    SHELXTL-Plus
_computing_publication_material  CRYSTALS
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_measurement_device       'Rigaku AFC6S 4-circle diffractometer'
_diffrn_measurement_method       '2\q/\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_number            2305
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        5.4
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.314
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.941
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.30
_exptl_crystal_description       plate
_exptl_crystal_F_000             496
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.60
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.56
_refine_ls_extinction_method     none
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     125
_refine_ls_number_reflns         1068
_refine_ls_number_restraints     2
_refine_ls_restrained_S_obs      1.0468
_refine_ls_R_factor_obs          0.0489
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;w = w'[1-(\DF/6\sF)^2^]^2^, where w' is a Chebyshev polynomial for F~c~
with 5 coefficients (2.27, 1.51, 2.35, 0.492 and 0.783).
;
_refine_ls_wR_factor_obs         0.0517
_reflns_limit_h_max              16
_reflns_limit_h_min              0
_reflns_limit_k_max              8
_reflns_limit_k_min              -9
_reflns_limit_l_max              8
_reflns_limit_l_min              -8
_reflns_number_observed          1068
_reflns_number_total             1352
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            hu1122.cif
_cod_data_source_block           park1
_cod_depositor_comments
;
 Moving the _atom_type_scat_dispersion_real and
 _atom_type_scat_dispersion_imag data items into the _atom_type
 loop.

 Antanas Vaitkus,
 2017-01-11
;
_cod_original_cell_volume        1178.0(10)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               2003264