Crystallography Open Database

Information card for entry 7063792

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Coordinates	7063792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B5 H2 Li O9
Calculated formula	B5 H2 Li O9
Title of publication	Cation tuning in anionic framework hydroborates: tailored deep-ultraviolet optical crystals with large birefringence
Authors of publication	Jiang, Yansheng; Jia, Hangwei; Wang, Wenhu; Arif, Muhammad; Yan, Xiuling; Hou, Xueling
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	21
Pages of publication	8908 - 8913
a	5.5381 ± 0.0017 Å
b	9.068 ± 0.002 Å
c	13.559 ± 0.004 Å
α	90°
β	91.605 ± 0.009°
γ	90°
Cell volume	680.7 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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