Crystallography Open Database

Information card for entry 7003618

Preview

Coordinates	7003618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H99 Fe8 N7 O30
Calculated formula	C60 H99 Fe8 N7 O30
Title of publication	Polymetallic clusters of iron(iii) with derivatised salicylaldoximes
Authors of publication	Gass, Ian A.; Milios, Constantinos J.; Collins, Anna; White, Fraser J.; Budd, Laura; Parsons, Simon; Murrie, Mark; Perlepes, Spyros P.; Brechin, Euan K.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	15
Pages of publication	2043 - 2053
a	23.3194 ± 0.0007 Å
b	23.3194 ± 0.0007 Å
c	23.8317 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	11223.3 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
179740 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/36.	7003618.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003618.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003618.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003618.cif