Acta Crystallographica Section C
Acta Crystallographica
Section C
STRUCTURAL CHEMISTRY
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metal-organic compounds
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Acta Cryst.
(2013).
C
69
,
1351-1356
https://doi.org/10.1107/S0108270113027108
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Multiple anion
π interactions in tris(1,10-phenanthroline-κ
2
N
,
N
′)iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate
Z. Setifi
,
K. V. Domasevitch
,
F. Setifi
,
P. Mach
,
S. W. Ng
,
V. Petříček
and
M. Dušek
Double nitrile
π interactions are relevant for the crystal packing of charge-diffuse conjugated tetracyanopropenide anions when combined with common heteroaromatic tris-chelate octahedral complexes, [Fe(phen)
3
]
2−
.
Keywords:
crystal structure
;
anion
π interactions
;
density functional theory (DFT) calculations
;
π-pocket
.
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