Crystallography Open Database

Information card for entry 1512722

Preview

Coordinates	1512722.cif

Structure parameters

Chemical name	Hexaaquacalcium bis(μ~3~-oxydiacetato)calciumterbiumate trihydrate
Formula	C24 H42 Ca3 O39 Tb2
Calculated formula	C24 H42 Ca3 O39 Tb2
Title of publication	Cation effect on the crystal structure of polynuclear complexes with 2,2'-oxydiacetate as bridging ligand
Authors of publication	Julia Torres; Javier Gonzalez-Platas; Joaquin Sanchiz; Jorge Castiglioni; Sixto Dominguez; Carlos Kremer
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	196 - 202
a	26.613 ± 0.0006 Å
b	26.613 ± 0.0006 Å
c	26.613 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	18848.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	228
Hermann-Mauguin space group symbol	F d -3 c
Hall space group symbol	-F 4ud 2vw 3
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512722.cif
90789	2013-11-18	cif/ Adding structures of 1512722 via cif-deposit CGI script.	1512722.cif