Crystallography Open Database

Information card for entry 4325009

Preview

Coordinates	4325009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H67 Cl6.75 Fe7.25 N6 O17
Calculated formula	C24.5 H54 Cl6.75 Fe7.25 N6 O17.625
Title of publication	Raising the Spin of FeIII7 Disklike Clusters: The Power of Molecular Spin Frustration
Authors of publication	Shreya Mukherjee; Rashmi Bagai; Khalil A. Abboud; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	3849 - 3851
a	20.8859 ± 0.0014 Å
b	21.5851 ± 0.0015 Å
c	22.638 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	10205.8 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	23
Hermann-Mauguin space group symbol	I 2 2 2
Hall space group symbol	I 2 2
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.284
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
179353 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/50.	4325009.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325009.cif
43460	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4325009 via cif-deposit CGI script.	4325009.cif