Crystal Structure Determination of Thallium Carbodiimide,Tl2NCN |
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| Authors: | Ludwig Stork Xiaohui Liu Boniface P T Fokwa Richard Dronskowski Prof Dr |
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| Institution: | 1. Aachen / Germany, RWTH Aachen University, Institute of Inorganic Chemistry;2. Aachen / Germany, RWTH Aachen University, Institute of Inorganic ChemistryInstitute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, D‐52056 Aachen / Germany |
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| Abstract: | Orange‐red single crystals of thallium carbodiimide, Tl2NCN, have been grown from an aqueous solution of cyanamide and thallium carbonate under strongly basic conditions. Tl2NCN crystallizes in space group  with a = 5.338(1), b = 6.626(2), c = 9.645(3) Å, α = 98.765(4)°, β = 98.685(4)°, γ = 113.178(4)°, and Z = 3; the structure can be considered a strongly distorted anti‐CdI2 type. One finds two crystallographically different and irregular NCN]Tl6 octahedra in which the Tl–N distances of the three‐coordinate monovalent thallium ions lie between 2.52 and 2.72Å. The two symmetry‐inequivalent NCN2? units adopt the carbodiimide shape, and the course of its molar volume as a function of the monovalent counter cation is analyzed. |
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| Keywords: | Thallium Cyanamide Carbodiimide Crystal structure Volume increment |
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