Crystallography Open Database

Information card for entry 7201279

7201278 << 7201279 >> 7201280

Preview

Coordinates	7201279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H48 N8 O24 Sm2 U2
Calculated formula	C34 H48 N8 O24 Sm2 U2
Title of publication	Structural variability in uranyl‒lanthanide heterometallic complexes with DOTA and oxalato ligands
Authors of publication	Thuéry, Pierre
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2319
a	13.1889 ± 0.0006 Å
b	8.607 ± 0.0004 Å
c	20.4006 ± 0.0005 Å
α	90°
β	93.461 ± 0.003°
γ	90°
Cell volume	2311.59 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0229
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.0468
Weighted residual factors for all reflections included in the refinement	0.0477
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
180343 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/12.	7201279.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201279.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201279.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201279.cif