Crystallography Open Database

Information card for entry 7045624

Preview

Coordinates	7045624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al B4 H20 N
Calculated formula	Al B4 H20 N
SMILES	[NH4+].[Al]1234([H][BH2][H]1)([H][BH2][H]3)([H][BH2][H]4)[H][BH2][H]2
Title of publication	New hydrogen-rich ammonium metal borohydrides, NH<sub>4</sub>[M(BH<sub>4</sub>)<sub>4</sub>], M = Y, Sc, Al, as potential H<sub>2</sub> sources.
Authors of publication	Starobrat, A.; Jaroń, T; Grochala, W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	13
Pages of publication	4442 - 4448
a	9.8816 ± 0.0012 Å
b	12.6499 ± 0.0015 Å
c	14.872 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1859 ± 0.4 Å³
Cell temperature	240 K
Ambient diffraction temperature	240 K
Number of distinct elements	4
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for all reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0421
Goodness-of-fit parameter for all reflections	1.45
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229748 (current)	2019-11-17	cif/ Updating files of 7045622, 7045623, 7045624, 7045625 Original log message: Adding full bibliography for 7045622--7045625.cif.	7045624.cif
206413	2018-02-14	cif/ Adding structures of 7045624 via cif-deposit CGI script.	7045624.cif