[4′,4′′-Dichloro-7,12-diphenyl-5,6:13,14-dibenzo-1,4,8,11-tetraazacyclopentadeca-5,7,11,13-tetraene-2,3-dione(2–)]nickel(II)

✍ Scribed by Zhang, Rui-Hong ;Yang, Guang-Ming

• Publisher: International Union of Crystallography
• Year: 2007
• Tongue: English
• Weight: 784 KB
• Volume: 63
• Category: Article
• ISSN: 1600-5368
• DOI: 10.1107/s1600536807039451

✦ Synopsis

In the crystal structure of the title compound, [Ni(C 31 H 22 Cl 2 N 4 O 2 )], the Ni atoms are coordinated by four N atoms of the macrocyclic ligand in a distorted square-planar configuration. Three C atoms are disordered over two positions, with site occupancy factors of 0.85 and 0.15. Related literature For the synthesis of the starting material 2,2 0 -(oxalyldiimino)bis(chlorobenzaldehyde), see: Zhang et al. (2005). Experimental Crystal data [Ni(C 31 H 22 Cl 2 N 4 O 2 )] M r = 612.14 Monoclinic, P2 1 =n a = 11.7341 (17) A b = 14.900 (2) A c = 16.235 (2) A = 106.582 (2) V = 2720.4 (6) A ˚3 Z = 4 Mo K radiation = 0.95 mm À1 T = 293 (2) K 0.28 Â 0.20 Â 0.14 mm Data collection Bruker SMART CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.805, T max = 0.891 15103 measured reflections 5556 independent reflections 3780 reflections with I > 2(I) R int = 0.034 Refinement R[F 2 > 2(F 2 )] = 0.038 wR(F 2 ) = 0.095 S = 1.03 5556 reflections 373 parameters 4 restraints H-atom parameters constrained Á max = 0.53 e A ˚À3 Á min = À0.28 e A ˚À3