Crystallography Open Database

Information card for entry 7015567

Preview

Coordinates	7015567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H48 Gd3 N9 O39.5 S3.5
Calculated formula	C49.02 H48 Gd3 N9 O39.51 S3.51
Title of publication	Structure, stability and relaxivity of trinuclear triangular complexes.
Authors of publication	Zebret, Soumaila; Torres, Elena; Terreno, Enzo; Guénée, Laure; Senatore, Carmine; Hamacek, Josef
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	16
Pages of publication	4284 - 4290
a	24.4761 ± 0.0011 Å
b	24.4761 ± 0.0011 Å
c	24.4761 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	14663.1 ± 1.1 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7015567.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015567.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015567.cif
21192	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015567 via cif-deposit CGI script.	7015567.cif