A high-temperature molecular ferroelastic phase transition and switchable dielectric response in the trimethylbromomethylammonium salt [C4H11NBr] [PF6]
Chen, Xiao-Gang; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang; New Journal of Chemistry 42 (2018) 14909–; doi:10.1039/C8NJ02645A

data_7057614
_publ_section_title
;
 A high-temperature molecular ferroelastic phase transition and switchable
 dielectric response in the trimethylbromomethylammonium salt [C4H11NBr]
 [PF6]
;
_journal_issue                   18
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              14909
_journal_paper_doi               10.1039/C8NJ02645A
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety         'F6 P, C4 H11 Br N'
_chemical_formula_sum            'C4 H11 Br F6 N P'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-07-29 deposited with the CCDC.
2018-08-01 downloaded from the CCDC.
;
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_diffrn_measurement_method       '\w scans'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1017P)^2^+2.4762P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1250
_reflns_number_total             2394
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 7057614.cif.'
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_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.330
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_shelx_res_checksum              93241