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Statements

Subject Item
n2:RIV%2F68378271%3A_____%2F13%3A00421356%21RIV14-AV0-68378271
rdf:type
n5:Vysledek skos:Concept
dcterms: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.
dcterms: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
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
skos:notation
RIV/68378271:_____/13:00421356!RIV14-AV0-68378271
n5:predkladatel
n6:ico%3A68378271
n3:aktivita
n10:I
n3:aktivity
I
n3:cisloPeriodika
11
n3:dodaniDat
n16:2014
n3:domaciTvurceVysledku
n11:6297102 n11:5796350
n3:druhVysledku
n4:J
n3:duvernostUdaju
n18:S
n3:entitaPredkladatele
n14:predkladatel
n3:idSjednocenehoVysledku
90133
n3:idVysledku
RIV/68378271:_____/13:00421356
n3:jazykVysledku
n13:eng
n3:klicovaSlova
structure analysis,; anion-pi interaction; DFT calculations
n3:klicoveSlovo
n12:DFT%20calculations n12:structure%20analysis n12:anion-pi%20interaction
n3:kodStatuVydavatele
DK - Dánské království
n3:kontrolniKodProRIV
[1F73307D3E45]
n3:nazevZdroje
Acta Crystallographica. C - Crystal Structure Communications
n3:obor
n17:BM
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
7
n3:rokUplatneniVysledku
n16:2013
n3:svazekPeriodika
69
n3:tvurceVysledku
Setifi, F. Mach, P. Dušek, Michal Domasevitch, K. V. Petříček, Václav Zouaoui, S. Ng, S. W.
n3:wos
000326651300031
s:issn
0108-2701
s:numberOfPages
6
n15:doi
10.1107/S0108270113027108