Crystallography Open Database

Information card for entry 4103784

Preview

Coordinates	4103784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 H10 N
Calculated formula	B3 H10 N
SMILES	[BH2]1([BH2]2[BH2]1[H]2)[NH3]
Title of publication	Ammonia Triborane: A New Synthesis, Structural Determinations, and Hydrolytic Hydrogen-Release Properties
Authors of publication	Chang Won Yoon; Patrick J. Carroll; Larry G. Sneddon
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	855 - 864
a	10.358 ± 0.003 Å
b	4.8041 ± 0.0012 Å
c	9.967 ± 0.003 Å
α	90°
β	115.141 ± 0.006°
γ	90°
Cell volume	449 ± 0.2 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4103784.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103784.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103784.cif
28253	2011-10-21	../uploads/cif-deposit/cod/cif Adding structures of 4103784 via cif-deposit CGI script.	4103784.cif