Crystallography Open Database

Information card for entry 1508184

Preview

Coordinates	1508184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H82 N8 O4 Si2 U2
Calculated formula	C69 H82 N8 O4 Si2 U2
SMILES	C1c2ccc3C(C)(C)c4ccc5C=[N]6c7cc(C)c(C)cc7[N]7=Cc8ccc9C(C)(C)c%10ccc%11C=[N]%12c%13cc(C)c(C)cc%13[N]=1[U]1%136(n23)(n45)(O[Si](C)(C)C)O[U]7%12%13(n%10%11)(n89)(O1)O[Si](C)(C)C.Cc1ccccc1.Cc1ccccc1.c1ccc(cc1)C
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	16.2362 ± 0.0015 Å
b	18.1288 ± 0.0015 Å
c	26.4879 ± 0.0019 Å
α	90°
β	101.144 ± 0.009°
γ	90°
Cell volume	7649.5 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0631
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1285
Goodness-of-fit parameter for all reflections included in the refinement	0.784
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
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.	1508184.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508184.cif
62730	2012-07-09	cif/ Adding structures of 1508184 via cif-deposit CGI script.	1508184.cif