Crystallography Open Database

Information card for entry 4110102

Preview

Coordinates	4110102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C121 H126 Fe9 N13 O38
Calculated formula	C103.408 H99.408 Fe9 N4 O38
Title of publication	Exchange-Biased Dimers of Single-Molecule Magnets in OFF and ON States
Authors of publication	Rashmi Bagai; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	12918 - 12919
a	17.0412 ± 0.0015 Å
b	19.8622 ± 0.0016 Å
c	19.9519 ± 0.0017 Å
α	89.227 ± 0.002°
β	77.146 ± 0.002°
γ	77.433 ± 0.002°
Cell volume	6421.9 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1366
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.1828
Weighted residual factors for all reflections included in the refinement	0.2063
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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
178872 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/01.	4110102.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110102.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110102.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110102.cif