Crystallography Open Database

Information card for entry 7250448

Preview

Coordinates	7250448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H15 Cl4 Cu N2
Calculated formula	C6 H15 Cl4 Cu N2
Title of publication	A stable and sensitive organic–inorganic hybrid reversible thermochromic material: [1-(2-fluoroethyl)piperazine]2[CuCl4]
Authors of publication	Zuo, Kang; Yu, Ruisi; Bao, Wei; Shao, Shuai; Cao, Qing-Ling; Du, Hao; Tian, Linna; Zhao, Jia-Jia; Chen, Li-Zhuang
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	27
Pages of publication	4707 - 4712
a	7.5307 ± 0.0012 Å
b	9.9035 ± 0.0017 Å
c	17.459 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1302.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
301564 (current)	2025-08-06	cif/ Updating files of 7250447, 7250448, 7250449 Original log message: Adding full bibliography for 7250447--7250449.cif.	7250448.cif
299811	2025-05-25	cif/ Adding structures of 7250447, 7250448, 7250449 via cif-deposit CGI script.	7250448.cif