Crystallography Open Database

Information card for entry 4002169

Preview

Coordinates	4002169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al B4 H18 N
Calculated formula	Al B4 H18 N
SMILES	[Al]1234([H][BH]([H]1)[NH3])([H][BH2][H]3)([H][BH2][H]2)[H][BH2][H]4
Title of publication	Mild Dehydrogenation of Ammonia Borane Complexed with Aluminum Borohydride
Authors of publication	Dovgaliuk, Iurii; Le Duff, Cécile S.; Robeyns, Koen; Devillers, Michel; Filinchuk, Yaroslav
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	3
Pages of publication	768
a	7.8585 ± 0.0002 Å
b	6.86473 ± 0.00014 Å
c	15.7136 ± 0.0008 Å
α	90°
β	96.429 ± 0.004°
γ	90°
Cell volume	842.36 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.82103 Å
Diffraction radiation type	synchrotron
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.	4002169.cif
132775	2015-03-04	cif/ Updating files of 4002168, 4002169 Original log message: Adding full bibliography for 4002168--4002169.cif.	4002169.cif
130366	2015-02-04	cif/ Adding structures of 4002169 via cif-deposit CGI script.	4002169.cif