Crystallography Open Database

Information card for entry 4339182

Preview

Coordinates	4339182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.5 H88 Cl3 Fe3 N20 O14.5
Calculated formula	C50.5 H84 Cl3 Fe3 N20 O14.5
Title of publication	A pyrazolate-supported Fe(3)(mu(3)-O) core: structural, spectroscopic, electrochemical, and magnetic study.
Authors of publication	Piñero, Dalice; Baran, Peter; Boca, Roman; Herchel, Radovan; Klein, Michael; Raptis, Raphael G.; Renz, Franz; Sanakis, Yiannis
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	10981 - 10989
a	17.811 ± 0.003 Å
b	15.399 ± 0.002 Å
c	26.573 ± 0.004 Å
α	90°
β	101.809 ± 0.003°
γ	90°
Cell volume	7134 ± 1.9 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 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	0.131
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1451
Weighted residual factors for all reflections included in the refinement	0.1763
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
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.	4339182.cif
117184	2014-06-14	cif/ Adding structures of 4339182 via cif-deposit CGI script.	4339182.cif