Crystallography Open Database

Information card for entry 4308652

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Coordinates	4308652.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(FeIII6L6).H2O
Formula	C66 H80 Fe6 N12 O31
Calculated formula	C66 H78 Fe6 N12 O31.02
Title of publication	Antiferromagnetic FeIII6 Ring and Single-Molecule Magnet MnII3MnIII4 Wheel
Authors of publication	Satoshi Koizumi; Masayuki Nihei; Motohiro Nakano; Hiroki Oshio
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1208 - 1210
a	30.208 ± 0.007 Å
b	30.208 ± 0.007 Å
c	8.454 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	6681 ± 3 Å³
Cell temperature	203.15 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1929
Weighted residual factors for all reflections included in the refinement	0.2049
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179124 (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 4/30/86.	4308652.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308652.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308652.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308652.cif