Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 10 (October 2008)


metal-organic compounds



bm3060 scheme

Acta Cryst. (2008). C64, m321-m323    [ doi:10.1107/S0108270108025055 ]

[{Cp2(tBuSe)Nb}2E] (E = O and Se) with bridging oxide or selenide ligands

A. L. Hector, M. Jura, W. Levason, G. Reid, S. D. Reid and M. Webster

Abstract: The title compounds, [mu]-oxido-bis[(tert-butylselenolato)bis([eta]5-cyclopentadienyl)niobium(IV)] toluene solvate, [Nb2(C5H5)4(C4H9Se)2O]·C7H8, and [mu]-selenido-bis[(tert-butylselenolato)bis([eta]5-cyclopentadienyl)niobium(IV)], [Nb2(C5H5)4(C4H9Se)2Se], consist of niobium(IV) centres each bonded to two [eta]5-coordinated cyclopentadienyl groups and one tert-butylselenolate ligand and are the first organometallic niobium selenolates to be structurally characterized. A bridging oxide or selenide completes the niobium coordination spheres of the discrete dinuclear molecules. In the oxide, the O atom lies on an inversion centre, resulting in a linear Nb-O-Nb linkage, whereas the selenide has a bent bridging group [Nb-Se-Nb = 139.76 (2)°]. The difference is attributable to strong [pi] bonding in the oxide case, although the effects on the Nb-C and Nb-SetBu bond lengths are small.

Formula: [Nb2(C5H5)4(C4H9Se)2O]·C7H8 and [Nb2(C5H5)4(C4H9Se)2Se]


hkldisplay filedownload file

Structure factor file (CIF format) (182.8 kbytes)
[ doi:10.1107/S0108270108025055/bm3060Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (320.1 kbytes)
[ doi:10.1107/S0108270108025055/bm3060IIsup3.hkl ]
Contains datablock II


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