Crystallography Open Database

Information card for entry 4307138

Preview

Coordinates	4307138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H111 Fe8 N9 O27 S3
Calculated formula	C61 H104.78 Fe8 N9 O27 S3
Title of publication	Odd-Numbered FeIII Complexes: Synthesis, Molecular Structure, Reactivity, and Magnetic Properties
Authors of publication	Ayuk M. Ako; Oliver Waldmann; Valeriu Mereacre; Frederik Klöwer; Ian J. Hewitt; Christopher E. Anson; Hans U. Güdel; Annie K. Powell
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	756 - 766
a	55.495 ± 0.002 Å
b	15.4971 ± 0.0009 Å
c	21.1361 ± 0.0009 Å
α	90°
β	111 ± 0.003°
γ	90°
Cell volume	16970 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179109 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/71.	4307138.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307138.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307138.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307138.cif