Crystallography Open Database

Information card for entry 4117306

Preview

Coordinates	4117306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Nd O22.5 U2
Calculated formula	C12 Nd O22.5 U2
Title of publication	Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)
Authors of publication	Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	1275 - 1283
a	15.578 ± 0.003 Å
b	11.628 ± 0.002 Å
c	13.065 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2366.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.23
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4117306.cif
74376	2013-02-26	cif/ Adding structures of 4117306 via cif-deposit CGI script.	4117306.cif