Crystallography Open Database

Information card for entry 7235172

Preview

Coordinates	7235172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Cl4 Cu N4 O
Calculated formula	C14 H18 Cl4 Cu N4 O
Title of publication	Ferroelectricity and antiferromagnetism in organic‒inorganic hybrid (1,4-bis(imidazol-1-ylmethyl)benzene)CuCl4·H2O
Authors of publication	Jiang, Chunli; Luo, Qianqian; Fu, Hanmei; Lin, Hechun; Luo, Chunhua; Wang, Jianlu; Meng, Xiangjian; Peng, Hui; Duan, Chun-Gang; Chu, Junhao
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	3
Pages of publication	587 - 592
a	7.1235 ± 0.0002 Å
b	11.1935 ± 0.0004 Å
c	11.6744 ± 0.0004 Å
α	90°
β	97.716 ± 0.001°
γ	90°
Cell volume	922.45 ± 0.05 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257487 (current)	2020-10-06	cif/ Updating files of 7235172 Original log message: Adding full bibliography for 7235172.cif.	7235172.cif
247683	2020-02-04	cif/ Updating files of 7235172 Original log message: Adding full bibliography for 7235172.cif.	7235172.cif
231018	2019-11-19	cif/ Adding structures of 7235172 via cif-deposit CGI script.	7235172.cif