Crystallography Open Database

Information card for entry 1515023

Preview

Coordinates	1515023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H23 Cl3 N4 O2 U
Calculated formula	C29 H23 Cl3 N4 O2 U
SMILES	C(Cl)Cl.[U]123(=O)(=O)(Cl)[n]4cccc5cccc(N1C=C(C=[N]2c1cccc2ccc[n]3c12)c1ccc(cc1)C)c45
Title of publication	Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl
Authors of publication	Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	4
Pages of publication	1075
a	7.2599 ± 0.0004 Å
b	12.1368 ± 0.0009 Å
c	16.1046 ± 0.0008 Å
α	99.775 ± 0.005°
β	90.893 ± 0.004°
γ	95.133 ± 0.005°
Cell volume	1392.11 ± 0.15 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	0.0957
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1862
Weighted residual factors for all reflections included in the refinement	0.2005
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	1515023.cif
110842	2014-04-20	cif/ Adding structures of 1515022, 1515023, 1515024 via cif-deposit CGI script.	1515023.cif