Crystallography Open Database

Information card for entry 1508186

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Structure parameters

Formula	C65 H90 N8 O12 Si U3
Calculated formula	C65 H90 N8 O12 Si U3
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	14.1406 ± 0.0006 Å
b	14.7186 ± 0.0008 Å
c	18.347 ± 0.0011 Å
α	86.724 ± 0.005°
β	77.931 ± 0.004°
γ	77.425 ± 0.004°
Cell volume	3644.3 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0625
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1508186.cif
176729	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.	1508186.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508186.cif
62732	2012-07-09	cif/ Adding structures of 1508186 via cif-deposit CGI script.	1508186.cif