[BioC] The anion is a six-coordinate complex with a distorted octahedral geometry around NiII.

Bean Y. Nat gwe at sscrazyrc.com
Thu Jun 28 14:25:35 CEST 2007


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Both the Cu and the Owater atoms occupy special positions on a twofold
rotation axis. These chains are decorated with L ligands alternately on
the two sides.

Intermolecular O-HO hydrogen bonds link the ions and water molecules.

Each bbi molecule acts as a bidentate ligand that binds two AgI atoms,
thus forming a one-dimensional chain. Each CaII ion is coordinated by
two carboxylate O atoms, a hetero-ring N atom and three water O atoms.

Both the Cu and the Owater atoms occupy special positions on a twofold
rotation axis. There are two formula units per asymmetric unit. Hydrogen
bonds involving both the coordinated and uncoordinated water molecules
help to consolidate the structure. The Mn centre and coordinated water
molecule lie on a twofold rotation axis. The crystal structure is
further stabilized by weak intra- and intermolecular C-HO hydrogen bonds
and C-H interactions. Weak intermolecular C-HI interactions seem to be
effective in stabilizing the crystal structure. The molecules are
organized so that isopropylamine ligands project from the layers,
forming organic interlayers.

This crystal structure has an infinite three-dimensional framework.
The two Cl- anions bridge two CuII atoms to form a dimeric complex
molecule, which lies on an inversion centre. The structure exhibits
intermolecular N-HO and C-HO hydrogen bonds. Intermolecular hydrogen
bonds form a three-dimensional framework.

Finally, N-HO hydrogen bonds link the chains together, reinforcing the
crystal cohesion. It is also linked to the O atoms of two other
tetraaanions in the polyanionic layer.

One of the cations is disordered essentially equally over two
orientations. The cyano group and the methyl group have axial and
equatorial orientations, respectively.

All atoms except for methyl H atoms lie on crystallographic mirror
planes.
The two independent dinuclear molecules in the asymmetric unit display
similar bond dimensions. Molecules assemble into a three-dimensional
network through weak ClHCphenyl hydrogen bonds. This crystal structure
has an infinite three-dimensional framework. The uncoordinated water
molecules contribute to the formation of the supramolecular structure
via O-HO hydrogen bonds.
The cation and anion both lie on crystallographic twofold axes.
Attar Gharamaleki, P.

Finally, N-HO hydrogen bonds link the chains together, reinforcing the
crystal cohesion. The CuII atom lies on a center of inversion.

The binaphthyl tail-to-tail packing in the hydrophobic layer is governed
by weak C-H interactions.

Other molecules are arranged diagonally between adjacent chains and
bridge the chains through weak C-HO interactions. The molecules are
linked by N-HO and O-HO hydrogen bonds. Hydrogen bonds involving both
the coordinated and uncoordinated water molecules help to consolidate
the structure.



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