Crystallography Open Database

Information card for entry 7243363

Preview

Coordinates	7243363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B12 Cs5 H8 Li O25
Calculated formula	B12 Cs5 H6.5 Li O25
Title of publication	Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer
Authors of publication	Qiu, Qi-Ming; Yang, Guo-Yu
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	37
Pages of publication	6518 - 6525
a	9.3037 ± 0.0019 Å
b	10.863 ± 0.002 Å
c	13.007 ± 0.003 Å
α	90°
β	96.316 ± 0.006°
γ	90°
Cell volume	1306.6 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0742
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1496
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
269669 (current)	2021-10-06	cif/ Updating files of 7243362, 7243363, 7243364 Original log message: Adding full bibliography for 7243362--7243364.cif.	7243363.cif
268035	2021-08-12	cif/ Adding structures of 7243362, 7243363, 7243364 via cif-deposit CGI script.	7243363.cif