Crystallography Open Database

Information card for entry 7203706

7203705 << 7203706 >> 7203707

Preview

Coordinates	7203706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H38 Fe2 N6 Na O19
Calculated formula	C42 H28 Fe2 N6 Na O19
SMILES	C1(=O)C(=O)O[Fe]23(O1)(OC(C(=O)O2)=O)OC(=O)C(=O)O3.[Na+].O.c1ccc2ccc3ccc[n]4c3c2[n]1[Fe]124([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.O.O.O.O.O.O
Title of publication	Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds
Authors of publication	Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	7
Pages of publication	57
a	10.436 ± 0.002 Å
b	29.919 ± 0.006 Å
c	14.882 ± 0.003 Å
α	90°
β	99.47 ± 0.03°
γ	90°
Cell volume	4583.4 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1441
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.2155
Weighted residual factors for all reflections included in the refinement	0.2587
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180368 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/37.	7203706.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203706.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203706.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203706.cif