Crystallography Open Database

Information card for entry 4307137

Preview

Coordinates	4307137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H107.5 Fe8 N13.5 O27.5
Calculated formula	C55 H106.32 Fe8 N13.5 O27.5
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	23.6121 ± 0.0008 Å
b	15.0975 ± 0.0005 Å
c	44.6731 ± 0.0014 Å
α	90°
β	94.523 ± 0.001°
γ	90°
Cell volume	15875.6 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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.	4307137.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307137.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307137.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307137.cif