Ionic liquid crystals: hexafluorophosphate salts
Gordon, Charles M.; Holbrey, John D.; Kennedy, Alan R.; Seddon, Kenneth R.; Journal of Materials Chemistry 8 (1998) 2627–; doi:10.1039/a806169f

data_7217114
_publ_contact_author
;
Dr Alan R. Kennedy
Dept. of P & A Chemistry
University of Strathclyde
295 Cathedral St.
Glasgow G1 1XL
Scotland
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_publ_section_title
;
 Ionic liquid crystals: hexafluorophosphate salts
;
_journal_issue                   12
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2627
_journal_paper_doi               10.1039/a806169f
_journal_volume                  8
_journal_year                    1998
_chemical_formula_sum            'C16 H31 F6 N2 P'
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_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
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_audit_creation_date             'Tue Jul  7 11:25:49 1998'
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_cell_angle_alpha                90
_cell_angle_beta                 94.13(2)
_cell_angle_gamma                90
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_cell_length_b                   9.849(3)
_cell_length_c                   22.197(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    123
_cell_measurement_theta_max      17.35
_cell_measurement_theta_min      9.15
_cell_volume                     2000.6(8)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
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_computing_structure_solution    SIR
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_diffrn_measurement_device       'Rigaku AFC7S'
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_diffrn_orient_matrix_UB_32      -0.08938
_diffrn_orient_matrix_UB_33      -0.00477
_diffrn_radiation_monochromator  graphite
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_refine_ls_R_factor_obs          0.0394
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_obs         0.0435
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_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            806169f.txt
_cod_data_source_block           Gordon1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2000.7(8)
_cod_original_sg_symbol_H-M      'P 21/a     '
_cod_original_formula_sum        'C16 H31 F6 N2 P '
_cod_database_code               7217114