Crystallography Open Database

Information card for entry 1514982

Preview

Coordinates	1514982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 Co O5 Pt S4
Calculated formula	C28 H22 Co O5 Pt S4
SMILES	C1(c2ccccc2)=[O][Co]234([O]=C(c5ccccc5)S[Pt]4(S1)(SC(c1ccccc1)=[O]2)SC(c1ccccc1)=[O]3)[OH2]
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	11.3784 ± 0.0007 Å
b	11.822 ± 0.0008 Å
c	22.0722 ± 0.0014 Å
α	90°
β	90.429 ± 0.001°
γ	90°
Cell volume	2969 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1514982.cif
110833	2014-04-20	cif/ Adding structures of 1514980, 1514981, 1514982, 1514983 via cif-deposit CGI script.	1514982.cif