Crystallography Open Database

Information card for entry 7201281

7201280 << 7201281 >> 7201282

Preview

Coordinates	7201281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H64 Gd2 N8 O44 U4
Calculated formula	C38 H54 Gd2 N8 O44 U4
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	43.698 ± 0.002 Å
b	8.3956 ± 0.0003 Å
c	19.467 ± 0.0008 Å
α	90°
β	115.999 ± 0.002°
γ	90°
Cell volume	6419.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0564
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	7201281.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201281.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201281.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201281.cif