Crystallography Open Database

Information card for entry 1516120

Preview

Coordinates	1516120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B H6 N2 Na
Calculated formula	B H6 N2 Na
SMILES	[BH3]NN.[Na+]
Title of publication	Alkali Metal Hydride Modification on Hydrazine Borane for Improved Dehydrogenation
Authors of publication	Chua, Yong Shen; Pei, Qijun; Ju, Xiaohua; Zhou, Wei; Udovic, Terrence J.; Wu, Guotao; Xiong, Zhitao; Chen, Ping; Wu, Hui
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2014
Journal volume	118
Journal issue	21
Pages of publication	11244
a	4.97456 ± 0.00029 Å
b	7.9607 ± 0.0004 Å
c	10.2456 ± 0.0005 Å
α	90°
β	115.166 ± 0.0022°
γ	90°
Cell volume	367.22 ± 0.03 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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
RFsqd	0.16034
Goodness-of-fit parameter for all reflections	4.59
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516120.cif
115861	2014-06-05	cif/ Updating files of 1516120 Original log message: Adding full bibliography for 1516120.cif.	1516120.cif
113842	2014-05-16	cif/ Adding structures of 1516120 via cif-deposit CGI script.	1516120.cif