Formula Unicode styled:
[Nb(Cl)(⭀NBuᵗ)(Cp₂)]
Compound name(s):
(t-Butylimido)-chloro-bis(η⁵-cyclopentadienyl)-niobium
Central atom:
Charge on formula unit (QN):
0
Compound type:
Notes:
At first sight this is a 20-electron compound (4 from the NX group, 1 from the X group, and 10 from the pair of cyclopentadienyl groups). The nitrene group binds strongly through π-bonds. Bond length considerations and calculations suggest that the two extra electrons are located in ligand-based orbitals rather than metal orbitals, thus reducing the effective electron count to 18.
For additional insight try:
- J.C. Green, M.L.H. Green, J.T James, P.C. Konidaris, G.H. Maunder, and P. Mountford, J. Chem. Soc., Chem. Commun., 1992, 1361-1365, https://pubs.rsc.org/en/content/articlepdf/1992/c3/c39920001361.
- J.H. Osborne, A.L. Rheingold, and W.C. Trogler, J. Am. Chem. Soc., 1985, 107, 7945–7952, https://pubs.acs.org/doi/pdf/10.1021/ja00312a024.
- A.N. Chernega, M.L.H. Green, and A.G. Suárez, J. Chem. Soc., Dalton Trans., 1993, 3031-3034, https://doi.org/10.1039/DT9930003031.
DOI link to literature report:
Crystal data CSD link:
Crystal data ICSD link:
Valence Number (VN) = 𝘹 + 2𝘻 :
Coordination Number (CN, sum of attached group denticities):
Oxidation Number (ON) (Roman numerals):
Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:
Bond number (BN) = 𝘹 + 𝘭 + 𝘻:
9
[MLXZ]𝘲 class:
[MX5L4]
MLXZ class (ENC, equivalent neutral class):
MX5L4
Summary of calculated classifications:
Nb«V5C8OVE18B9Z0X5L4»
Geometry:
𝘥-electron configuration = 𝘮 – VN:
d0
𝘥-electron configuration = 𝘮 – ON:
d10
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
d0
Attached atoms:
C10Cl1N1
Phase:
InChIKey (see www.inchi-trust.org):
BWIDTHQHSDMLMG-UHFFFAOYSA-M