Synchrotron X-ray study of [5,15-diphenyl-2,8,12,18-tetra-n-hexyl-3,7,13,17-tetramethylporphyrinato]nickel(II)

Andrew D. Bond, Neil Feeder, James E. Redman, Simon J. Teat, Jeremy K. M. Sanders
2003 Acta Crystallographica Section E  
Key indicators Single-crystal synchrotron study T = 150 K Mean '(C±C) = 0.003 A Ê R factor = 0.052 wR factor = 0.129 Data-to-parameter ratio = 23.4 For details of how these key indicators were automatically derived from the article, see H atoms were placed geometrically (CÐH = 0.95±0.99 A Ê ) and re®ned using a riding model, with U iso (H) = 1.5U eq (C) for methyl groups and U iso (H) = 1.2U eq (C) otherwise. Methyl groups were allowed to rotate about their local threefold axes. The n-hexyl
more » ... es. The n-hexyl chains were re®ned without restraint.
doi:10.1107/s1600536803018853 fatcat:kvwdgld7zzgupm6sdx4wrym3ja