About: Multiple anion . . . π interactions in tris(1,10-phenanthroline-κ2N,N’)-iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate

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About: Multiple anion . . . π interactions in tris(1,10-phenanthroline-κ2N,N’)-iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	In the ionic structure of the title compound the octahedral tris-chelate [Fe(phen)3]2+ dications afford one-dimensional chains by a series of slipped pi-pi stacking interactions [centroid-to-centroid distances = 3.792 (3) and 3.939 (3) Å]. The anions, denoted tcnoetOH- reveal an appreciable delocalization of pi-electron density. This is also supported by density functional theory (DFT) calculations. The double anion . . . π interaction involving a nitrile group of tcnoetOH- and two cis-positioned pyridine rings suggest the relevance of anion. . . π stackings for charge-diffuse polycyanoanions and common M-chelate species. In the ionic structure of the title compound the octahedral tris-chelate [Fe(phen)3]2+ dications afford one-dimensional chains by a series of slipped pi-pi stacking interactions [centroid-to-centroid distances = 3.792 (3) and 3.939 (3) Å]. The anions, denoted tcnoetOH- reveal an appreciable delocalization of pi-electron density. This is also supported by density functional theory (DFT) calculations. The double anion . . . π interaction involving a nitrile group of tcnoetOH- and two cis-positioned pyridine rings suggest the relevance of anion. . . π stackings for charge-diffuse polycyanoanions and common M-chelate species. (en)
Title	Multiple anion . . . π interactions in tris(1,10-phenanthroline-κ2N,N’)-iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate Multiple anion . . . π interactions in tris(1,10-phenanthroline-κ2N,N’)-iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate (en)
skos:prefLabel	Multiple anion . . . π interactions in tris(1,10-phenanthroline-κ2N,N’)-iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate Multiple anion . . . π interactions in tris(1,10-phenanthroline-κ2N,N’)-iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate (en)
skos:notation	RIV/68378271:_____/13:00421356!RIV14-AV0-68378271
http://linked.open...avai/riv/aktivita	I
http://linked.open...avai/riv/aktivity	I
http://linked.open...iv/cisloPeriodika	11
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Dušek, Michal Petříček, Václav
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Fyzikální ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	90133
http://linked.open...ai/riv/idVysledku	RIV/68378271:_____/13:00421356
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	structure analysis,; anion-pi interaction; DFT calculations (en)
http://linked.open.../riv/klicoveSlovo	anion-pi interaction DFT calculations structure analysis
http://linked.open...odStatuVydavatele	DK - Dánské království
http://linked.open...ontrolniKodProRIV	[1F73307D3E45]
http://linked.open...i/riv/nazevZdroje	Acta Crystallographica. C - Crystal Structure Communications
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	69
http://linked.open...iv/tvurceVysledku	Dušek, Michal Petříček, Václav Mach, P. Domasevitch, K. V. Ng, S. W. Setifi, F. Zouaoui, S.
http://linked.open...ain/vavai/riv/wos	000326651300031
issn	0108-2701
number of pages	6 (xsd:int)
http://bibframe.org/vocab/doi	10.1107/S0108270113027108

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