THE CRYSTAL AND MOLECULAR STRUCTURE OF DECACHLORO -μ-1, 4, 8, 11-TETRATHIACYCLOTETRADEC-ANEDINIOBIUM(V). AN ADDUCT OF NbCl5WITH AN 'INSIDE-OUT' BRIDGING MACROCYCLIC LIGAND

Autor:	Milton D. Glick, Richard E. DeSimone
Rok vydání:	1976
Předmět:	Chemistry Stereochemistry chemistry.chemical_element Ring (chemistry) Sulfur Adduct Solvent Crystal chemistry.chemical_compound Crystallography Materials Chemistry Molecule Macrocyclic ligand Physical and Theoretical Chemistry Benzene
Zdroj:	Journal of Coordination Chemistry. 5:181-188
ISSN:	1029-0389 0095-8972
DOI:	10.1080/00958977608073009
Popis:	The crystal and molecular structure of decachloro-μ-1,4,8,11-tetrathiacyclotetradecanediniobium(V) is reported. This is the first example of a complex in which such a macrocycle adopts an inside-out or exo configuration. (NbCl5)2-(S4-e-pr[14]) crystallizes in space group P21/n with two complex molecules and two solvent benzene molecules per unit cell of dimensions a = 7.925(6) A, b = 19.516(11) A, c = 10.212(5) A, and β = 88.62° (5). Full matrix least squares refinement gave final discrepancy factors of R1 = 0.109 and R2 = 0.127 for 1061 data having F2 < 3[sgrave](F2). The molecular structure consists of two NbCl5 units bridged through sulfur by the macrocycle with two of the four sulfur atoms uncoordinated. The macrocyclic ring is substantially disordered. The implications of this structure for bonding in macrocyclic complexes is discussed and the possible significance to kinetic studies of macrocyclic complexes is explored.
Databáze:	OpenAIRE
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