Crystallography Open Database

Information card for entry 7709298

Preview

Coordinates	7709298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B5 Ba2 H8 N O16
Calculated formula	B5 Ba2 H8 N O16
Title of publication	Ba<sub>2</sub>B<sub>5</sub>O<sub>8</sub>(OH)<sub>2</sub>(NO<sub>3</sub>)·3H<sub>2</sub>O: the design of an alkaline earth metal borate-nitrate optimized from a hydroxylic borate.
Authors of publication	Hu, Huaiyu; Huang, Junben; Guo, Zhiyong; Zhang, Min; Yang, Zhihua; Pan, Shilie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	5
Pages of publication	1979 - 1984
a	6.6406 ± 0.0006 Å
b	22.157 ± 0.002 Å
c	8.7863 ± 0.0006 Å
α	90°
β	101.98 ± 0.004°
γ	90°
Cell volume	1264.62 ± 0.18 Å³
Cell temperature	301 K
Ambient diffraction temperature	301 K
Number of distinct elements	5
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	0.0502
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
272674 (current)	2022-02-04	cif/ Updating files of 7709298 Original log message: Adding full bibliography for 7709298.cif.	7709298.cif
272034	2022-01-14	cif/ Adding structures of 7709298 via cif-deposit CGI script.	7709298.cif