Crystallography Open Database

Information card for entry 7203705

7203704 << 7203705 >> 7203706

Preview

Coordinates	7203705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H30 As Fe N2 O9
Calculated formula	C40 H28 As Fe N2 O9
SMILES	[Fe]123([n]4cccc5ccc6ccc[n]1c6c45)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.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	9.4991 ± 0.0019 Å
b	14.279 ± 0.003 Å
c	14.557 ± 0.003 Å
α	103.57 ± 0.03°
β	99.94 ± 0.03°
γ	105.77 ± 0.03°
Cell volume	1787.2 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	7203705.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203705.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203705.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203705.cif