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Crystal and Molecular Structure of the Macrocyclic Nickel (II) Complex Ni(C 22 H 22 H 4 ): Dibenzo[b, i][5, 7, 12, 14] Tetramethyl [1, 4, 8, 11] Tetraazacyclotetradeca‐2, 4, 7, 9, 12, 14‐Hexaeneatonickel (II)

1982; Wiley; Volume: 29; Issue: 4 Linguagem: Inglês

10.1002/jccs.198200037

2192-6549

Yu Wang, Shie‐Ming Peng, Yu‐Lin Lee, Mei‐Chen Chuang, Chia‐Pin Tang, Chiu‐Jane Wang,

Metal-Catalyzed Oxygenation Mechanisms

Abstract The crystal and molecular structure of the four‐coordinate complex Ni(C 22 H 22 N 4 ) containing the tetramethyldibenzotetraaza[14] annulene ligand has been determined from three‐dimensional X‐ray diffraction data. The complex crystallized in the monoclinic space group C 2h 5 ‐P2 1 /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, R w =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.