Crystallography Open Database

Information card for entry 1515663

Preview

Coordinates	1515663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H126 N6 O2 Si12 U2
Calculated formula	C56 H126 N6 O2 Si12 U2
SMILES	[U](OC#CO[U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1
Title of publication	Carbon monoxide coupling and functionalisation at a simple uranium coordination complex
Authors of publication	Arnold, Polly L.; Turner, Zoë R.; Bellabarba, Ronan M.; Tooze, Robert P.
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	1
Pages of publication	77
a	11.0022 ± 0.0005 Å
b	11.7354 ± 0.0006 Å
c	18.0634 ± 0.001 Å
α	90.254 ± 0.003°
β	94.779 ± 0.003°
γ	117.609 ± 0.003°
Cell volume	2057.05 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	1.204
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.	1515663.cif
111897	2014-04-28	cif/ Adding structures of 1515663, 1515664 via cif-deposit CGI script.	1515663.cif