Crystallography Open Database

Information card for entry 7063794

Preview

Coordinates	7063794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B10 Cs1.3 H8.8 N0.7 O19
Calculated formula	B10 Cs1.3 H8.8 N0.7 O19
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	7.7386 ± 0.0013 Å
b	9.1876 ± 0.0017 Å
c	12.178 ± 0.002 Å
α	98.919 ± 0.007°
β	106.626 ± 0.006°
γ	91.351 ± 0.007°
Cell volume	817.5 ± 0.2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7063794.html