Crystallography Open Database

Information card for entry 4315624

Preview

Coordinates	4315624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H20 B2 N P
Calculated formula	C5 H20 B2 N P
SMILES	[P](C)(C)(C)[BH2][N]([BH3])(C)C
Title of publication	Synthesis, Characterization, and Structures of Uranium(III) N,N-Dimethylaminodiboranates
Authors of publication	Scott R. Daly; Gregory S. Girolami
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	5157 - 5166
a	15.3721 ± 0.0013 Å
b	6.6323 ± 0.0005 Å
c	10.1018 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1029.9 ± 0.15 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	0.95
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
179236 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/56.	4315624.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315624.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315624.cif
8780	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315624 via cif-deposit CGI script.	4315624.cif