Crystallography Open Database

Information card for entry 7052806

Preview

Coordinates	7052806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 K4 N7 Nd O6 S7
Calculated formula	C7 H12 K4 N7 Nd O6 S7
Title of publication	Crystal structure versus solution for two new lutetium thiocyanato complexes
Authors of publication	Lozano-Rodriguez, M. J.; Copping, R.; Petit, S.; Solari, P. L.; Guilbaud, P.; Mustre de Leon, J.; Den Auwer, C.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	12
Pages of publication	2755
a	25.262 ± 0.005 Å
b	6.4877 ± 0.0012 Å
c	20.045 ± 0.004 Å
α	90°
β	122.25 ± 0.001°
γ	90°
Cell volume	2778.4 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0194
Residual factor for significantly intense reflections	0.0173
Weighted residual factors for significantly intense reflections	0.0408
Weighted residual factors for all reflections included in the refinement	0.0415
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
180082 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28.	7052806.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052806.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052806.cif
31366	2011-12-13	../uploads/cif-deposit/cod/cif Adding structures of 7052804, 7052805, 7052806 via cif-deposit CGI script.	7052806.cif