Crystallography Open Database

Information card for entry 1508246

Preview

Coordinates	1508246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H92 O4 U2
Calculated formula	C63 H92 O4 U2
Title of publication	Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.
Authors of publication	Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David
Journal of publication	Nature chemistry
Year of publication	2012
Journal volume	4
Journal issue	8
Pages of publication	668 - 674
a	13.9662 ± 0.0005 Å
b	17.3367 ± 0.0006 Å
c	26.0453 ± 0.0008 Å
α	87.379 ± 0.003°
β	78.703 ± 0.003°
γ	68.266 ± 0.003°
Cell volume	5742 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508246.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508246.cif
63833	2012-08-10	cif/ Adding structures of 1508246 via cif-deposit CGI script.	1508246.cif