Ferroelectricity in bis(ethylammonium) pentachlorobismuthate(iii): synthesis, structure, polar and spectroscopic properties
Piecha-Bisiorek, Anna; Gągor, Anna; Jakubas, Ryszard; Ciżman, Agnieszka; Janicki, Rafał; Medycki, Wojciech; Inorganic Chemistry Frontiers 4 (2017) 1281–; doi:10.1039/C7QI00254H

data_4349729
_publ_section_title
;
 Ferroelectricity in bis(ethylammonium) pentachlorobismuthate(iii):
 synthesis, structure, polar and spectroscopic properties
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              1281
_journal_paper_doi               10.1039/C7QI00254H
_journal_volume                  4
_journal_year                    2017
_chemical_formula_sum            'C4 H16 Bi Cl5 N2'
_chemical_formula_weight         478.42
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_space_group_name_Hall           '-A 2 2ab'
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2017-05-09 deposited with the CCDC.
2017-06-15 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_detector                 'CCD plate'
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_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0165
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_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         2.943
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    12.764
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_density_diffrn    2.145
_exptl_crystal_description       prism
_exptl_crystal_F_000             1776
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_gt           0.0271
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0335P)^2^+4P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0686
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_reflns_number_gt                1917
_reflns_number_total             2229
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7qi00254h2.cif
_cod_data_source_block           PhaseI
_cod_original_sg_symbol_H-M      Acam
_cod_database_code               4349729
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              68500