Crystallography Open Database

Information card for entry 7112555

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Coordinates	7112555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 N6 O8 U2
Calculated formula	C38 H42 N6 O8 U2
Title of publication	New polynuclear U(IV)-U(V) complexes from U(IV) mediated uranyl(V) disproportionation.
Authors of publication	Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2012
Journal volume	48
Journal issue	6
Pages of publication	868 - 870
a	16.3093 ± 0.0007 Å
b	10.8301 ± 0.0002 Å
c	22.1561 ± 0.0006 Å
α	90°
β	105.356 ± 0.003°
γ	90°
Cell volume	3773.7 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0594
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0625
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7112555.cif
180239	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/25.	7112555.cif
110817	2014-04-20	cif/ Adding structures of 7112553, 7112554, 7112555, 7112556 via cif-deposit CGI script.	7112555.cif