Crystallography Open Database

Information card for entry 7021876

Preview

Coordinates	7021876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114.5 H150.5 Fe6 O65
Calculated formula	C114.54 H150.6 Fe6 O65
Title of publication	Hexanuclear and undecanuclear iron(iii) carboxylates as catalyst precursors for cyclohexane oxidation.
Authors of publication	Milunovic, Miljan N. M.; Martins, Luísa M D R S; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.; Krachler, Regina; Trettenhahn, Günter; Turta, Constantin; Shova, Sergiu; Arion, Vladimir B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	40
Pages of publication	14388 - 14401
a	15.3674 ± 0.0007 Å
b	16.1325 ± 0.0007 Å
c	16.2835 ± 0.0007 Å
α	73.631 ± 0.002°
β	80.246 ± 0.003°
γ	65.635 ± 0.002°
Cell volume	3521.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.2433
Weighted residual factors for all reflections included in the refinement	0.2795
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7021876.cif
88843	2013-10-09	cif/ Adding structures of 7021875, 7021876 via cif-deposit CGI script.	7021876.cif