Crystallography Open Database

Information card for entry 7112184

Preview

Coordinates	7112184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 Cl6 N12 U2
Calculated formula	C60 H60 Cl6 N12 U2
Title of publication	Well-defined molecular uranium(III) chloride complexes
Authors of publication	Henry S. La Pierre; Frank W. Heinemann; Karsten Meyer
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3962
a	12.4942 ± 0.0009 Å
b	15.9632 ± 0.0012 Å
c	16.1661 ± 0.0012 Å
α	87.833 ± 0.004°
β	89.498 ± 0.004°
γ	76.857 ± 0.004°
Cell volume	3137.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1577
Weighted residual factors for all reflections included in the refinement	0.1634
Goodness-of-fit parameter for all reflections included in the refinement	1.319
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7112184.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112184.cif
108110	2014-03-27	cif/ Adding structures of 7112184 via cif-deposit CGI script.	7112184.cif