Bis(1,10-phenanthroline-κ2 N,N′)(sulfato-κ2 O,O′)nickel(II) butane-2,3-diol monosolvate

In the title compound, [Ni(SO4)(C12H8N2)2]·C4H10O2, the NiII ion is six-coordinated by four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from an O,O′-bidentate sulfate anion, resulting in a distorted octahedral geometry for the metal ion. The dihedral angle between the two chelating N2C2 groups is 83.82 (12)°. The NiII ion, the S atom and the mid-point of the central C—C bond of the butane-2,3-diol solvent molecule lie on a twofold rotation axis. In the crystal, the complex molecules and solvent molecules are held together by pairs of symmetry-related Odiol—H⋯Osulfate hydrogen bonds involving the uncoordinating O atoms of the sulfate ions. The solvent molecule is disordered over two sets of sites with site occupancies of 0.450 (9) and 0.550 (9).

In the title compound, [Ni(SO 4 )(C 12 H 8 N 2 ) 2 ]ÁC 4 H 10 O 2 , the Ni II ion is six-coordinated by four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from an O,O 0bidentate sulfate anion, resulting in a distorted octahedral geometry for the metal ion. The dihedral angle between the two chelating N 2 C 2 groups is 83.82 (12) . The Ni II ion, the S atom and the mid-point of the central C-C bond of the butane-2,3-diol solvent molecule lie on a twofold rotation axis. In the crystal, the complex molecules and solvent molecules are held together by pairs of symmetry-related O diol -HÁ Á ÁO sulfate hydrogen bonds involving the uncoordinating O atoms of the sulfate ions. The solvent molecule is disordered over two sets of sites with site occupancies of 0.450 (9) and 0.550 (9).

Experimental
Crystal data [Ni(SO 4 Table 1 Hydrogen-bond geometry (Å , ).  In the title compound crystal, the neutral monomeric [NiSO 4 (C 10 H 8 N 2 ) 2 ] complex and the butane-2,3-diol solvent molecule are connected by a pair of symmetry-related intermolecular O-H···O hydrogen bonds with the uncoordinated O atoms of the sulfate ligand ( Fig.1 and Table 1).
The solvent molecule is disordered over two positions and was refined with a site occupancy ratio of 0.45:0.55.

Experimental
The single crystals of the title compound were obtained by a procedure similar to that described preiously (Wang & Zhong, 2011), but with NiSO 4 .7H 2 O in place of CoSO 4 .7H 2 O.

Refinement
The non-hydrogen atoms were refined anisotropically. All H atoms were positioned geometrically and allowed to ride on their attached atoms, with C-H(Ar) = 0.93 Å, C-H(CH) = 0.98 Å, C-H(CH 3 ) = 0.96 Å and O-H = 0.82 Å; U iso (H) = 1.2U eq (C) and 1.5U eq (O). The solvent molecule butane-2,3-diol is disordered over two positions and was refined with 0.45 and 0.55 site occupancies.  The molecular structure of (I) showing the atom-numbering scheme and with displacement ellipsoids drawn at the 35% probability level. The dashed lines depict O-H···O interactions. Unlabeled atoms are related to the labelled atoms by the symmetry operator (-x + 1, y, -z + 1/2). Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.