Crystallography Open Database

Information card for entry 4324759

Preview

Coordinates	4324759.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Fe3CrC9SAc
Formula	C96 H168 Cr Fe3 O20 S2
Calculated formula	C96 H168 Cr Fe3 O20 S2
Title of publication	Spin Structure of Surface-Supported Single-Molecule Magnets from Isomorphous Replacement and X-ray Magnetic Circular Dichroism
Authors of publication	Matteo Mannini; Erik Tancini; Lorenzo Sorace; Philippe Sainctavit; Marie-Anne Arrio; Yu Qian; Edwige Otero; Daniele Chiappe; Ludovica Margheriti; Julio C. Cezar; Roberta Sessoli; Andrea Cornia
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	2911 - 2917
a	27.4032 ± 0.0015 Å
b	20.8832 ± 0.0013 Å
c	18.9981 ± 0.0012 Å
α	90°
β	97.929 ± 0.002°
γ	90°
Cell volume	10768 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0958
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1698
Weighted residual factors for all reflections included in the refinement	0.1988
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179350 (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 4/32/47.	4324759.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324759.cif
43210	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4324759 via cif-deposit CGI script.	4324759.cif