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Bis(1,10-phenanthroline-?(2) N,N')(sulfato-O)copper(II) butane-2,3-diol monosolvate.

ABSTRACT: The title compound, [Cu(SO4)(C12H8N2)2]·C4H10O2, is comprised of neutral monomeric complex and butane-2,3-diol solvent mol-ecules. In the complex, the Cu(II) ion is in a distorted square-pyramidal coordination environment defined by four N atoms from two chelating 1,10-phenanthroline ligands and one O atom from a monodentate sulfate anion; the O atom is at the apex. The two chelating N2C2 groups subtend a dihedral angle of 85.8?(4)°. In the crystal, the neutral monomeric complex and butane-2,3-diol solvent mol-ecules are held together by O-H?O hydrogen bonding, which leads to additional stabilization of the structure. The presence of pseudosymmetry in the structure suggests the higher symmetry space group C2/c, but attempts to refine the structure in this space group resulted in an unsatisfactory model and high R and wR values. The sulfate anion is disordered over two sets of sites with occupancies of 0.55?(1) and 0.45?(1).

SUBMITTER: Zhong KL

PROVIDER: S-EPMC3588286 | biostudies-other | 2013 Jan

REPOSITORIES: biostudies-other

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Bis(1,10-phenanthroline-κ(2) N,N')(sulfato-O)copper(II) butane-2,3-diol monosolvate.

Zhong Kai-Long KL Cao Guo-Qing GQ

Acta crystallographica. Section E, Structure reports online 20121212 Pt 1

The title compound, [Cu(SO4)(C12H8N2)2]·C4H10O2, is comprised of neutral monomeric complex and butane-2,3-diol solvent mol-ecules. In the complex, the Cu(II) ion is in a distorted square-pyramidal coordination environment defined by four N atoms from two chelating 1,10-phenanthroline ligands and one O atom from a monodentate sulfate anion; the O atom is at the apex. The two chelating N2C2 groups subtend a dihedral angle of 85.8 (4)°. In the crystal, the neutral monomeric complex and butane-2,3-d ...[more]

PMID: 23476338

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