Crystallography Open Database

Information card for entry 7246169

Preview

Coordinates	7246169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 B N2 P
Calculated formula	C27 H24 B N2 P
SMILES	[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccccc1.[BH2](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	9.5349 ± 0.0002 Å
b	14.5833 ± 0.0003 Å
c	16.4465 ± 0.0003 Å
α	90°
β	98.44 ± 0.002°
γ	90°
Cell volume	2262.12 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	7246169.cif
280454	2023-01-20	cif/ Adding structures of 7246167, 7246168, 7246169, 7246170, 7246171, 7246172, 7246173, 7246174, 7246175 via cif-deposit CGI script.	7246169.cif