Crystallography Open Database

Information card for entry 7003621

Preview

Coordinates	7003621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H148 Fe9 O44 P3
Calculated formula	C90 H148 Fe9 O44 P3
Title of publication	Cleavage of P‒S bonds and oxygenation by a trinuclear iron carboxylate: Synthesis and structures of iron clusters containing group 15/16 anions
Authors of publication	Mitkina, Tatiana V.; Lan, Yanhua; Mereacre, Valeriu; Shi, Weifeng; Powell, Annie K.; Rothenberger, Alexander
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	9
Pages of publication	1136 - 1139
a	15.606 ± 0.003 Å
b	28.593 ± 0.006 Å
c	26.961 ± 0.005 Å
α	90°
β	90.34 ± 0.03°
γ	90°
Cell volume	12030 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1874
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1661
Weighted residual factors for all reflections included in the refinement	0.2093
Goodness-of-fit parameter for all reflections included in the refinement	0.885
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.	7003621.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003621.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003621.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.	7003621.cif