Crystallography Open Database

Information card for entry 4304781

Preview

Coordinates	4304781.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Magnesium borohydride ammonia
Formula	B2 H14 Mg N2
Calculated formula	B2 H14 Mg N2
Title of publication	Ammine Magnesium Borohydride Complex as a New Material for Hydrogen Storage: Structure and Properties of Mg(BH4)2.2NH3
Authors of publication	Grigorii L. Soloveichik; Jae-Hyuk Her; Peter W. Stephens; Yan Gao; Job Rijssenbeek; Matthew Andrus; Ji-Cheng Zhao
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	4290 - 4298
a	17.4872 ± 0.0004 Å
b	9.4132 ± 0.0002 Å
c	8.7304 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1437.12 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor R(I) for significantly intense reflections	0.019
Goodness-of-fit parameter for all reflections	1.254
Method of determination	powder diffraction
Diffraction radiation wavelength	0.700319 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179085 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/47.	4304781.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304781.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304781.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304781.cif