Trimethylammonium tetrafluoroborate at 100K
Gotoh, Kazuma; Ishikawa, Rie; Ishida, Hiroyuki; Acta Crystallographica Section E 61 (2005) o4016–o4017; doi:10.1107/S1600536805035592

data_2207673
_publ_section_title
;
 Trimethylammonium tetrafluoroborate at 100K
;
_journal_coeditor_code           TK6280
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4016
_journal_page_last               o4017
_journal_paper_doi               10.1107/S1600536805035592
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C3 H10 N +, B F4 -'
_chemical_formula_moiety         'C3 H10 N +, B F4 -'
_chemical_formula_sum            'C3 H10 B F4 N'
_chemical_formula_weight         146.92
_chemical_name_systematic
;
Trimethylammonium tetrafluoroborate
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.80(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.460(6)
_cell_length_b                   8.496(7)
_cell_length_c                   7.433(6)
_cell_measurement_reflns_used    3348
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      3.7
_cell_volume                     334.9(5)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection
'RAPID-AUTO (Rigaku/MSC and Rigaku Corporation, 2004)'
_computing_data_reduction
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2005)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'CrystalStructure and PLATON (Spek, 2003)'
_computing_structure_refinement  'CRYSTALS (Watkin <i>et al.</i>,  1996)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4017
_diffrn_reflns_theta_full        30.0
_diffrn_reflns_theta_max         30.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.163
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             152
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.36
_refine_diff_density_min         -0.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.01
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     71
_refine_ls_number_reflns         1038
_refine_ls_R_factor_gt           0.045
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.002Fo^2^ + \s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.140
_reflns_number_gt                760
_reflns_number_total             1038
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            tk6280.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               2207673
_cod_database_fobs_code          2207673