Crystallography Open Database

Information card for entry 4325010

Preview

Coordinates	4325010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H86 Cl6 Fe7 N12 O30.5
Calculated formula	C48 H69 Cl6 Fe7 N12 O28
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	24.482 ± 0.002 Å
b	27.531 ± 0.002 Å
c	24.448 ± 0.002 Å
α	90°
β	107.965 ± 0.002°
γ	90°
Cell volume	15675 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.102
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.162
Weighted residual factors for all reflections included in the refinement	0.1757
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325010.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325010.cif
43461	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4325010 via cif-deposit CGI script.	4325010.cif