Crystallography Open Database

Information card for entry 4315620

Preview

Coordinates	4315620.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	U(H3BNMe2BH3)3 crystals grown from pentane
Formula	C6 H36 B6 N3 U
Calculated formula	C6 H36 B6 N3 U
SMILES	[U]123456789([H][BH]([N](C)(C)[BH]([H]2)[H]3)[H]1)([H][BH]([N](C)(C)[BH]([H]4)[H]5)[H]6)[H][BH]([N](C)(C)[BH]([H]7)[H]8)[H]9
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	15.9392 ± 0.0004 Å
b	10.2456 ± 0.0003 Å
c	11.4154 ± 0.0003 Å
α	90°
β	97.192 ± 0.001°
γ	90°
Cell volume	1849.54 ± 0.09 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
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	0.0468
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	0.925
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.	4315620.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315620.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315620.cif
8776	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315620 via cif-deposit CGI script.	4315620.cif