Crystallography Open Database

Information card for entry 7246171

Preview

Coordinates	7246171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H23 B N3 P
Calculated formula	C28 H23 B N3 P
SMILES	[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccccc1.[BH](C#N)(C#N)C#N
Title of publication	Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.
Authors of publication	Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	6
Pages of publication	5037 - 5048
a	13.4269 ± 0.0001 Å
b	17.485 ± 0.0001 Å
c	20.6372 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4844.98 ± 0.07 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283499 (current)	2023-05-05	cif/ Updating files of 7246167, 7246168, 7246169, 7246170, 7246171, 7246172, 7246173, 7246174, 7246175 Original log message: Adding full bibliography for 7246167--7246175.cif.	7246171.cif
280454	2023-01-20	cif/ Adding structures of 7246167, 7246168, 7246169, 7246170, 7246171, 7246172, 7246173, 7246174, 7246175 via cif-deposit CGI script.	7246171.cif