Crystallography Open Database

Information card for entry 1514981

Preview

Coordinates	1514981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H60 Co O9.75 Pt S4
Calculated formula	C28 H22 Co O5 Pt S4
Title of publication	Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions
Authors of publication	Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	2
Pages of publication	602
a	22.814 ± 0.0008 Å
b	16.6711 ± 0.0007 Å
c	23.2989 ± 0.0014 Å
α	90°
β	92.135 ± 0.002°
γ	90°
Cell volume	8855.2 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514981.cif
171448	2015-12-11	cod/ (antanas@echidna.ibt.lt) Moving the text that describes the way the file was generated from the _chemical_name_systematic tag value, where it was incorrectly stored, into the _audit_creation_method tag value.	1514981.cif
110833	2014-04-20	cif/ Adding structures of 1514980, 1514981, 1514982, 1514983 via cif-deposit CGI script.	1514981.cif