Crystallography Open Database

Information card for entry 7242584

Preview

Coordinates	7242584.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CaNi2(SeO3)3(2H2O)
Formula	Ca H4 Ni2 O11 Se3
Calculated formula	Ca H3.999 Ni2 O10.999 Se3
Title of publication	Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration
Authors of publication	Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	17
Pages of publication	3126 - 3132
a	7.8568 ± 0.0004 Å
b	7.3734 ± 0.0003 Å
c	8.9697 ± 0.0006 Å
α	90°
β	114.275 ± 0.007°
γ	90°
Cell volume	473.68 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265938 (current)	2021-06-05	cif/ Updating files of 7242583, 7242584, 7242585 Original log message: Adding full bibliography for 7242583--7242585.cif.	7242584.cif
263540	2021-04-02	cif/ Adding structures of 7242583, 7242584, 7242585 via cif-deposit CGI script.	7242584.cif