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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.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks text, bk0031a

CCDC reference: 131602

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