Crystallography Open Database

Information card for entry 1508183

Preview

Coordinates	1508183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H54 N4 O2 Si4 U
Calculated formula	C42 H54 N4 O2 Si4 U
SMILES	[U](=O)(=O)(N([Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1)([n]1ccccc1)(N([Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1)[n]1ccccc1
Title of publication	Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.
Authors of publication	Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.
Journal of publication	Nature chemistry
Year of publication	2012
Journal volume	4
Journal issue	3
Pages of publication	221 - 227
a	15.3164 ± 0.0002 Å
b	15.3164 ± 0.0002 Å
c	11.091 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2601.86 ± 0.09 Å³
Cell temperature	171 ± 2 K
Ambient diffraction temperature	171 ± 2 K
Number of distinct elements	6
Space group number	118
Hermann-Mauguin space group symbol	P -4 n 2
Hall space group symbol	P -4 -2n
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.185
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
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.	1508183.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508183.cif
62729	2012-07-09	cif/ Adding structures of 1508183 via cif-deposit CGI script.	1508183.cif