Crystallography Open Database

Information card for entry 7045623

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Structure parameters

Formula	B4 H16 Li Sc
Calculated formula	B4 H16 Li Sc
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	14.2842 ± 0.0004 Å
b	14.2842 ± 0.0004 Å
c	7.3758 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1504.95 ± 0.07 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for all reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0295
Goodness-of-fit parameter for all reflections	0.03
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7045623.cif
229748	2019-11-17	cif/ Updating files of 7045622, 7045623, 7045624, 7045625 Original log message: Adding full bibliography for 7045622--7045625.cif.	7045623.cif
206412	2018-02-14	cif/ Adding structures of 7045623 via cif-deposit CGI script.	7045623.cif