Crystallography Open Database

Information card for entry 7238037

Preview

Coordinates	7238037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H26 Br6 Cu N2
Calculated formula	C10 H26 Br6 Cu N2
Title of publication	A semiconducting organic‒inorganic hybrid ([BrCH2CH2N(CH3)3]2+[CuBr4]2−) with switchable dielectric properties derived from an unusual piston-like displacive movement
Authors of publication	Sui, Yan; Zhong, Ye-Shun; Wang, Jing-Jing; Xia, Qin; Wang, Liang-Jun; Liu, Dong-Sheng
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	45
Pages of publication	14294
a	11.9733 ± 0.0016 Å
b	9.414 ± 0.002 Å
c	19.243 ± 0.003 Å
α	90°
β	90.089 ± 0.013°
γ	90°
Cell volume	2169 ± 0.6 Å³
Cell temperature	363 ± 0.1 K
Ambient diffraction temperature	363 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.223
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	0.923
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
238876 (current)	2019-11-24	cif/ Adding structures of 7238036, 7238037 via cif-deposit CGI script.	7238037.cif