Crystallography Open Database

Information card for entry 4309156

Preview

Coordinates	4309156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H114 B2 F6 Fe2 Mn2 N28 O16 S2
Calculated formula	C68 H114 B2 F6 Fe2 Mn2 N28 O16 S2
Title of publication	Single-Molecule Magnets Constructed from Cyanometalates: {[Tp*FeIII(CN)3MII(DMF)4]2[OTf]2}.2DMF (MII= Co, Ni)
Authors of publication	Dongfeng Li; Sean Parkin; Guangbin Wang; Gordon T. Yee; Andrey V. Prosvirin; Stephen M. Holmes
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4903 - 4905
a	15.295 ± 0.003 Å
b	13.194 ± 0.003 Å
c	24.321 ± 0.005 Å
α	90°
β	107.09 ± 0.03°
γ	90°
Cell volume	4691.3 ± 1.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1087
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1801
Weighted residual factors for all reflections included in the refinement	0.1997
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
179129 (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 4/30/91.	4309156.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309156.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309156.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).	4309156.cif