Solid state structure of a rhenium bibenzimidazole complex
Titel:
Solid state structure of a rhenium bibenzimidazole complex
Auteur:
Rau, Sven Gorls, Helmar
Verschenen in:
Journal of coordination chemistry
Paginering:
Jaargang 57 (2004) nr. 17-18 pagina's 1587-1590
Jaar:
2004-11-20
Inhoud:
Re(CO)5Br readily forms a complex with 2,2'-bibenzimidazole (bbimH2) of the general composition (bbimH2)Re(CO)3Br, 1. The complex was characterized by NMR, IR, electronic and emission spectroscopy. The orange-brown compound is sparingly soluble in apolar solvents but could be crystallized from a DMF/toluene mixture. An X-ray structural investigation shows that the rhenium ion has a distorted octahedral geometry. Nitrogen atoms of the bibenzimidazole are trans to two carbonyl ligands. The secondary amine protons of the bibenzimidazole ligand form a hydrogen bond to the amide oxygen of a DMF molecule; N3-O4 2.725(7) Å, N4-O4 2.761(7) Å. The bending angle of the two benzimidazole units is 168°; the greatest deviation from planarity within the ligand is 0.14 Å. Crystal data: monoclinic, space group P21/n, a = 10.9743(2), b = 12.9182(2), c = 15.1864(3) Å, β = 91.647(1)°, V = 2152.06(7) Å3, T = -90°C, Z = 4, R1 = 0.025, wR2 = 0.062 for 4296 reflections with Fo > 4σ(Fo) out of 4886 independent reflections.
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