Crystallography Open Database

Information card for entry 4315623

Preview

Coordinates	4315623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H54 B6 N3 P2 U
Calculated formula	C12 H54 B6 N3 P2 U
SMILES	[U]123456789([P](C)(C)C)([P](C)(C)C)([H][BH]([N](C)(C)[BH]([H]4)[H]5)[H]1)([H][BH]([N](C)(C)[BH]([H]9)[H]7)[H]6)[H][BH]([N](C)(C)[BH]([H]2)[H]3)[H]8
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	16.7492 ± 0.0012 Å
b	10.4449 ± 0.0007 Å
c	33.515 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5863.2 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0474
Weighted residual factors for all reflections included in the refinement	0.0512
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	4315623.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315623.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315623.cif
8779	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315623 via cif-deposit CGI script.	4315623.cif