Crystallography Open Database

Information card for entry 4331151

Preview

Coordinates	4331151.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe^II^{(CN)Fe^III^(esaldpt)}~6~]Cl~2~.20.5H~2~O
Formula	C150 H229 Cl2 Fe7 N24 O44.5
Calculated formula	C150 H188 Fe7 N24 O24
Title of publication	Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction
Authors of publication	Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12755 - 12767
a	17.533 ± 0.004 Å
b	16.893 ± 0.003 Å
c	29.972 ± 0.006 Å
α	90 ± 0.005°
β	102.23 ± 0.03°
γ	90 ± 0.005°
Cell volume	8676 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.12
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.1806
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4331151.cif
80614	2013-04-08	cif/ Adding structures of 4331151 via cif-deposit CGI script.	4331151.cif