Crystallography Open Database

Information card for entry 1515024

Preview

Coordinates	1515024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.5 H44.25 N8.75 O5 U2
Calculated formula	C57.5 H44.25 N8.75 O5 U2
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	27.1234 ± 0.0013 Å
b	27.366 ± 0.0013 Å
c	28.2322 ± 0.0016 Å
α	90°
β	90.531 ± 0.004°
γ	90°
Cell volume	20954.7 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1201
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1494
Weighted residual factors for all reflections included in the refinement	0.1722
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1515024.cif
110842	2014-04-20	cif/ Adding structures of 1515022, 1515023, 1515024 via cif-deposit CGI script.	1515024.cif