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Crystal Structure Determination of Thallium Carbodiimide, Tl 2 NCN
Author(s) -
Stork Ludwig,
Liu Xiaohui,
Fokwa Boniface P. T.,
Dronskowski Richard
Publication year - 2007
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.200600323
Subject(s) - thallium , carbodiimide , chemistry , octahedron , crystal structure , crystallography , octahedral symmetry , mössbauer spectroscopy , aqueous solution , ion , cyanamide , inorganic chemistry , organic chemistry
Orange‐red single crystals of thallium carbodiimide, Tl 2 NCN, have been grown from an aqueous solution of cyanamide and thallium carbonate under strongly basic conditions. Tl 2 NCN crystallizes in space group $P{\bar 1}$ 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 ‐CdI 2 type. One finds two crystallographically different and irregular [NCN]Tl 6 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 NCN 2− units adopt the carbodiimide shape, and the course of its molar volume as a function of the monovalent counter cation is analyzed.