Crystallography Open Database

Information card for entry 4108789

Preview

Coordinates	4108789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H115 K4 N9 O24 U4
Calculated formula	C138 H112 K4 N9 O24 U4
Title of publication	Polynuclear Cation-Cation Complexes of Pentavalent Uranyl: Relating Stability and Magnetic Properties to Structure
Authors of publication	Grégory Nocton; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	16633 - 16645
a	30.537 ± 0.017 Å
b	14.227 ± 0.008 Å
c	31.856 ± 0.018 Å
α	90°
β	101.202 ± 0.011°
γ	90°
Cell volume	13576 ± 13 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
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	0.0838
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1846
Weighted residual factors for all reflections included in the refinement	0.1913
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
178833 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/87.	4108789.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108789.cif
57159	2012-05-17	cif/ Adding structures of 4108789 via cif-deposit CGI script.	4108789.cif