Crystallography Open Database

Information card for entry 2020426

2020425 << 2020426 >> 2020427

Preview

Structure parameters

Common name	<i>catena</i>-Poly[[diaquasodium(I)]-μ-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^- [diaquairon(III)]-μ-oxalato-\ κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]
Formula	C4 H8 Fe Na O12
Calculated formula	C4 H8 Fe Na O12
SMILES	C1(=O)C(=O)O[Fe]2(O1)(OC(=O)C(=O)O2)([OH2])[OH2].[Na+].O.O
Title of publication	The new one-dimensional coordination polymer <i>catena</i>-poly[[diaquasodium(I)]-μ-oxalato-[diaquairon(III)]-μ-oxalato]
Authors of publication	Benhacine, Mohamed Al Amine; Hamadène, Malika; Bouacida, Sofiane; Merazig, Hocine
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	3
Pages of publication	243 - 250
a	9.8572 ± 0.0009 Å
b	9.8572 ± 0.0009 Å
c	10.7595 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1045.44 ± 0.16 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	80
Hermann-Mauguin space group symbol	I 41
Hall space group symbol	I 4bw
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0563
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
181874 (current)	2016-04-06	hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/04	2020426.cif 2020426.hkl
177098	2016-03-02	cif/ hkl/ Adding structures of 2020426 via cif-deposit CGI script.	2020426.cif 2020426.hkl