Bulletin of the Chemical Society of Japan
Online ISSN : 1348-0634
Print ISSN : 0009-2673
ISSN-L : 0009-2673
The Crystal and Molecular Structure of Bis-(N,N′-π-cyclopentadienyl cobalt)-di-tert-butyl Urea, (π-C5H5Co)2(N,t-C4H9)2CO
Yoshiki MatsuuraNoritake YasuokaTatzuo UekiNobutami KasaiMasao Kakudo
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1969 Volume 42 Issue 4 Pages 881-886


The crystals of (π-C5H5Co)2(N-t-C4H9)2CO are orthorhombic, and the space group is Fdd2, with a=9.101, b=17.973, c=23.616 Å, and Z=8. The crystal structure was determined with use of MoKα counter data, the final R being 0.063 for 578 non-zero reflections. The molecules has a C2 symmetry, and the carbonyl group lies exactly on the two-fold axis. Unexpectedly, the molecule has the local structure of N,N′-di-t-huty urea, two nitrogen atoms being bridged to two cobalt atoms. The two crystallographically independent Co-N bonds are 1.942 and 1.951 Å, which are equal within the limits of experimental error. Two cobalt atoms are directly bonded to each other at a distance of 2.371 Å, which is shorter than that of 2.47 Å found in (CO)6Co2(C2Ph2).

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