Crystallography Open Database

Information card for entry 7128476

Preview

Coordinates	7128476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cd Cl2 Cu2 O6 Se2
Calculated formula	Cd Cl2 Cu2 O6 Se2
Title of publication	A spin-1/2 gapped compound CdCu<sub>2</sub>(SeO<sub>3</sub>)<sub>2</sub>Cl<sub>2</sub> with a ladder structure.
Authors of publication	Zhang, Mengsi; Cui, Meiyan; Zhao, Zhiying; Huang, Xing; He, Zhangzhen
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	56
Pages of publication	6923 - 6926
a	11.919 ± 0.0005 Å
b	9.6321 ± 0.0003 Å
c	7.8264 ± 0.0002 Å
α	90°
β	117.547 ± 0.003°
γ	90°
Cell volume	796.65 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0205
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0481
Goodness-of-fit parameter for all reflections included in the refinement	1.179
Diffraction radiation probe	x-ray
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
268516 (current)	2021-09-06	cif/ Updating files of 7128476 Original log message: Adding full bibliography for 7128476.cif.	7128476.cif
266331	2021-06-10	cif/ Adding structures of 7128476 via cif-deposit CGI script.	7128476.cif