Structure of ([eta superscript 5]-cyclopentadienyl)([eta superscript 6]-thianthrene)iron(ll) hexafluorophosphate

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dc.creator Abboud, K. A.
dc.creator Lynch, V. M.
dc.creator Simonsen, S. H.
dc.creator Piorko, Adam
dc.creator Sutherland, R. G.
dc.date.accessioned 2013-05-29T18:41:24Z
dc.date.available 2013-05-29T18:41:24Z
dc.date.issued 1990-06
dc.identifier.issn 0108-2701
dc.identifier.uri http://library2.smu.ca/xmlui/handle/01/24976
dc.description Publisher's version/PDF
dc.description.abstract [Fe(C<sub>5</sub>H<sub>5</sub>)(C<sub>12</sub>H<sub>8</sub>S<sub>2</sub>)][PF<sub>6</sub>] (I), M<sub>r</sub> = 482.22, monoclinic, P2<sub>1</sub>/c, a= 14.194 (3), b = 9.617 (2), c = 25-971 (5) Å,&beta; = 100.31 (2)&deg;, V = 3488 (1) Å<sup>3</sup>, Z = 8 (two molecules per asymmetric unit), D<sub>x</sub> = 1.836 g cm<sup>-3</sup>, Mo K&alpha; (&lambda; = 0.70169 Å),&nbsp;&mu; = 12.429 cm<sup>-1</sup>, F(000) = 1936, T= 163 K. Blockmatrix least-squares refinement of (I) converged to R = 0.044 and wR = 0.040 using 3785 reflections with I &gt; 3&sigma;(I). The dihedral angles of the two molecules in the asymmetric unit are different. In molecule A, the FeCp moiety (Cp = cyclopentadiene) is inside the fold with a dihedral angle of 143.1 (2)&deg;, whereas in molecule B, the FeCp moiety is located outside the fold with a dihedral angle of 136.3 (2)&deg;
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dc.language.iso en en_CA
dc.publisher International Union of Crystallography
dc.relation.uri http://dx.doi.org/10.1107/S0108270189010437
dc.subject.lcsh Crystallography
dc.subject.lcsh Organometallic compounds
dc.subject.lcsh Heterocyclic compounds
dc.title Structure of ([eta superscript 5]-cyclopentadienyl)([eta superscript 6]-thianthrene)iron(ll) hexafluorophosphate en_CA
dc.type Text en_CA
dcterms.bibliographicCitation Acta Crystallographica C46, 1018-22. (1990)
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Published Version: http://dx.doi.org/10.1107/S0108270189010437
 
 

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