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Published October 1, 1996 | Published + Supplemental Material
Journal Article Open

A revision of the structure of (bipyridyl-N,N')-dicyanoplatinum(II)


In a previous X-ray crystallographic study of crystals of Pt(bpy)(CN)_2 (bpy = 2,2'-bipyridine) the planar molecules were reported to be exactly eclipsed, stacked directly on top of one another with a spacing of 3.33 Å so as to form a linear Pt· · ·Pt· · ·Pt chain. A reinvestigation shows this structure to be incorrect. The presence of weak intermediate layer lines indicates that the repeat distance along the stacking direction is 6.66 Å rather than 3.33 Å. Successive molecules within the stack are rotated by 180° and the resulting Pt-atom chain is slightly zigzag with a Pt· · ·Pt· · ·Pt angle of 168.6 (1)°. The implications are discussed of the determination and refinement of an apparently satisfactory, although grossly wrong, structure that was based on an incorrect unit cell and an incorrect space group.

Additional Information

© 1996 International Union of Crystallography. Received 27 November 1995; accepted 22 February 1996. We thank H. B. Gray, K. I. Hardcastle and V. M. Miskowski for helpful discussions. This work was supported by NSF CHE-9311587 (H.B.G.).

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Supplemental Material - bk0031.cif


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