Crystallography Open Database

Information card for entry 1512718

Preview

Coordinates	1512718.cif

Structure parameters

Chemical name	Hexaaquacalcium bis(μ~3~-oxydiacetato)calciumerbiumate trihydrate
Formula	C24 H48 Ca3 Er2 O39
Calculated formula	C24 H42 Ca3 Er2 O39
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	26.4839 ± 0.0009 Å
b	26.4839 ± 0.0009 Å
c	26.4839 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	18575.7 ± 1.1 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	0.0536
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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.	1512718.cif
90785	2013-11-18	cif/ Adding structures of 1512718 via cif-deposit CGI script.	1512718.cif