Crystal and Molecular Structure of the Macrocyclic Nickel (II) Complex Ni(C22H22H4): Dibenzo[b, i][5, 7, 12, 14] Tetramethyl [1, 4, 8, 11] Tetraazacyclotetradeca‐2, 4, 7, 9, 12, 14‐Hexaeneatonickel (II)

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Abstract
The crystal and molecular structure of the four‐coordinate complex Ni(C22H22N4) containing the tetramethyldibenzotetraaza[14] annulene ligand has been determined from three‐dimensional X‐ray diffraction data. The complex crystallized in the monoclinic space group C2h5‐P21/n with cell dimensions a=14.7967(10), b=11.2169(6), c=11.4510(6) Å, and β=98.467(5)° with Z=4. The final agreement indices from the least‐square refinement of 245 variables with 3111 observations F>3σ(F), are R=0.050, Rw=0.037. The structure has a pronounced saddle‐shaped conformation with Ni atom at the saddle point coordinated to four nitrogen atoms. The average Ni‐N distance is 1.866(3) Å. The delocalized propane‐1,3‐diiminato chelate rings and the benzene rings are linked by nominally single C‐N bonds.

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