Crystallography Open Database

Information card for entry 4324907

Preview

Coordinates	4324907.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZHAO1800
Formula	B3 H12 N
Calculated formula	B3 H12 N
SMILES	[BH2]12[BH2]3([H]2)[BH2]1[H]3.[NH4+]
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	7.153 ± 0.0014 Å
b	8.2648 ± 0.0017 Å
c	8.3895 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	495.97 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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.	4324907.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324907.cif
43358	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4324907 via cif-deposit CGI script.	4324907.cif