Coyer M J, Herber R H, Cohen S
Department of Chemistry, Rutgers, State University, New Brunswick, New Jersey 08893.
Acta Crystallogr C. 1991 Jul 15;47 ( Pt 7):1376-8. doi: 10.1107/s0108270190012665.
[Pt(NCO)2(C12H12N2)], Mr = 463.37, orthorhombic, Cmc2(1), a = 18.722 (6), b = 11.889 (5), c = 6.688 (5) A, V = 1488.7 (9) A3, Z = 4, Dx = 2.067 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 90.59 cm-1, F(000) = 864, T = 291 (1) K, R = 0.052 for 735 reflections with F greater than or equal to 6 sigma F. The structure consists of square-planar coordinated Pt atoms, surrounded by four N atoms; of these, two belong to the bidentate bipyridyl ligand and two belong to the two pseudohalide groups which occupy cis positions. The bite angle of the bipyridyl ligand is 82.3 (9) degrees, significantly larger than the value reported earlier for the unsubstituted bipyridyl ligand, 76 (2) degrees. The metal atom is displaced 0.10 (5) A below the plane of the four N atoms. The non-bonding Pt-Pt distance is 0.258 (5) A longer in the title compound than in the unsubstituted ligand complex, leading to significant differences in the chemical and spectroscopic properties of the two homologues.
[Pt(NCO)₂(C₁₂H₁₂N₂)]，Mr = 463.37，正交晶系，Cmc2(1)，a = 18.722(6)，b = 11.889(5)，c = 6.688(5) Å，V = 1488.7(9) ų，Z = 4，Dx = 2.067 g cm⁻³，λ(Mo Kα) = 0.71069 Å，μ = 90.59 cm⁻¹，F(000) = 864，T = 291(1) K，对于735个F大于或等于6σF的反射，R = 0.052。该结构由平面正方形配位的Pt原子组成，被四个N原子包围；其中两个属于双齿联吡啶配体，另外两个属于占据顺式位置的两个拟卤化物基团。联吡啶配体的咬角为82.3(9)度，明显大于先前报道的未取代联吡啶配体的值76(2)度。金属原子在四个N原子平面下方0.10(5) Å处。标题化合物中的非键合Pt-Pt距离比未取代配体配合物中的长0.258(5) Å，导致这两种同系物的化学和光谱性质存在显著差异。
