Crystallography Open Database

Information card for entry 4324908

Preview

Coordinates	4324908.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZHAO1798
Formula	C16 H44 B3 N O7
Calculated formula	C16 H44 B3 N O7
SMILES	[NH4+].[BH2]12[BH2]3([BH2]1[H]3)[H]2.C1COCCOCCOCCOCCOCCO1.C1CCCO1
Title of publication	Ammonium Octahydrotriborate (NH4B3H8): New Synthesis, Structure, and Hydrolytic Hydrogen Release
Authors of publication	Zhenguo Huang; Xuenian Chen; Teshome Yisgedu; Edward A. Meyers; Sheldon G. Shore; Ji-Cheng Zhao
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	3738 - 3742
a	16.407 ± 0.003 Å
b	11.215 ± 0.002 Å
c	13.841 ± 0.003 Å
α	90°
β	107.76 ± 0.03°
γ	90°
Cell volume	2425.4 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179352 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/49.	4324908.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324908.cif
43359	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4324908 via cif-deposit CGI script.	4324908.cif