Crystallography Open Database

Information card for entry 2312025

2312024 << 2312025 >> 2312026

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Structure parameters

Chemical name	sodium and rubidium tris(oxalate)ferrate(III)
Formula	C12 Fe2 Na O24 Rb5
Calculated formula	C12 Fe2 Na O24 Rb5
SMILES	C1(=O)C(=O)O[Fe]23(O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.[Na+].[Rb+].[Rb+].[Rb+].[Rb+].C1(=O)C(=O)O[Fe]23(O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.[Rb+]
Title of publication	Spontaneous enanti-omorphism in poly-phased alkaline salts of tris-(oxalato)ferrate(III): crystal structure of cubic NaRb<sub>5</sub>[Fe(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]<sub>2</sub>.
Authors of publication	Piro, O. E.; Echeverría, G A; Baran, E. J.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2018
Journal volume	74
Journal issue	Pt 7
Pages of publication	905 - 909
a	13.7995 ± 0.0003 Å
b	13.7995 ± 0.0003 Å
c	13.7995 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2627.79 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	213
Hermann-Mauguin space group symbol	P 41 3 2
Hall space group symbol	P 4bd 2ab 3
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
246253 (current)	2019-12-27	cif/ hkl/ Adding structures of 2312024, 2312025 via cif-deposit CGI script.	2312025.cif 2312025.hkl