Crystallography Open Database

Information card for entry 7233598

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Structure parameters

Common name	N-Isopropylbenzylammonium Tetrafluoroborate
Formula	C10 H16 B F4 N
Calculated formula	C10 H16 B F4 N
SMILES	[NH2+](Cc1ccccc1)C(C)C.[B](F)(F)(F)[F-]
Title of publication	N-Isopropylbenzylammonium tetrafluoroborate: an organic dielectric relaxor with a tunable transition between high and low dielectric states
Authors of publication	Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Junhua Luo
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	567 - 572
a	19.5994 ± 0.0006 Å
b	7.7561 ± 0.0002 Å
c	32.5648 ± 0.0009 Å
α	90°
β	95.614 ± 0.003°
γ	90°
Cell volume	4926.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.2094
Weighted residual factors for all reflections included in the refinement	0.2236
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7233598.cif
217905	2019-09-02	cif/ Adding structures of 7233598 via cif-deposit CGI script.	7233598.cif