Crystallography Open Database

Information card for entry 7227251

Preview

Structure parameters

Formula	C8 H20 B0.504 F4.992 N P0.496
Calculated formula	C8 H20 B0.504 F4.992 N P0.496
Title of publication	Formation of a solid solution between [N(C2H5)4][BF4] and [N(C2H5)4][PF6] in crystal and plastic crystal phases.
Authors of publication	Matsumoto, Kazuhiko; Nonaka, Ryojun; Wang, Yushen; Veryasov, Gleb; Hagiwara, Rika
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2017
Journal volume	19
Journal issue	3
Pages of publication	2053 - 2059
a	9.324 ± 0.002 Å
b	9.324 ± 0.002 Å
c	7.1369 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	620.5 ± 0.2 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.188
Weighted residual factors for all reflections included in the refinement	0.1892
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7227251.cif
191763	2017-02-04	cif/ Updating files of 7227251 Original log message: Adding full bibliography for 7227251.cif.	7227251.cif
189023	2016-12-09	cif/ Adding structures of 7227251 via cif-deposit CGI script.	7227251.cif