Crystallography Open Database

Information card for entry 7134478

Preview

Coordinates	7134478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B Cs H2 O3
Calculated formula	B Cs H2 O3
Title of publication	CsBO(OH)2: a new hydroxyborate with the rare [BO(OH)2] group and a deep ultraviolet cutoff edge
Authors of publication	Fan, Jinbin; Zhang, Luyong; Chen, Zilong; Li, Huimin; Yang, Zhihua; Yang, Yun; Zhang, Fangfang; Pan, Shilie
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	45
Pages of publication	8196 - 8199
a	7.5268 ± 0.0004 Å
b	6.9794 ± 0.0004 Å
c	7.8192 ± 0.0004 Å
α	90°
β	113.612 ± 0.002°
γ	90°
Cell volume	376.37 ± 0.04 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.019
Residual factor for significantly intense reflections	0.0162
Weighted residual factors for significantly intense reflections	0.0388
Weighted residual factors for all reflections included in the refinement	0.0396
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
300513 (current)	2025-07-06	cif/ Updating files of 7134478 Original log message: Adding full bibliography for 7134478.cif.	7134478.cif
299448	2025-04-30	cif/ Adding structures of 7134478 via cif-deposit CGI script.	7134478.cif