Crystallography Open Database

Information card for entry 4001685

Preview

Coordinates	4001685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 H20 Mg N4 Na2
Calculated formula	B4 H20 Mg N4 Na2
SMILES	[BH3][NH2][Mg]([NH2][BH3])([NH2][BH3])[NH2][BH3].[Na+].[Na+]
Title of publication	From Exothermic to Endothermic Dehydrogenation ‒ Interaction of Monoammoniate of Magnesium Amidoborane and Metal Hydrides
Authors of publication	Chua, Yong Shen; Li, Wen; Wu, Guotao; Xiong, Zhitao; Chen, Ping
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	18
Pages of publication	3574
a	9.4134 ± 0.0017 Å
b	9.4134 Å
c	12.7221 ± 0.0023 Å
α	90°
β	90°
γ	90°
Cell volume	1127.3 ± 0.3 Å³
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
RFsqd	0.13414
Goodness-of-fit parameter for all reflections	0.97
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001685.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001685.cif
71987	2013-01-21	cif/ Adding structures of 4001685 via cif-deposit CGI script.	4001685.cif