Crystallography Open Database

Information card for entry 4307135

Preview

Coordinates	4307135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69.5 H138 Cl Fe7 N3 O30
Calculated formula	C69.5 H137 Cl Fe7 N3 O30
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	63.351 ± 0.003 Å
b	10.4329 ± 0.0005 Å
c	31.409 ± 0.0016 Å
α	90°
β	115.078 ± 0.001°
γ	90°
Cell volume	18802.4 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0635
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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.	4307135.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307135.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307135.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307135.cif