[Nb(H)(BuᵗC≡CH)(Cp)₂]

Formula Unicode styled: 
[Nb(H)(BuᵗC≡CH)(Cp)₂]
Compound name(s): 
hydrido-dimethylbutyne-bis(η⁵-cyclopentadienyl)-niobium
Central atom: 
Niobium
Charge on formula unit (QN): 
0
Attached groups: 
H (hydrido)
BuᵗC≡CH (t-butyl-ethyne)
Cp (η⁵-cyclopentadienyl)
Compound type: 
Molecular
DOI link to literature report: 
10.1021/om00058a021
Crystal data CSD link: 
konpim
Crystal data ICSD link: 
Valence Number (VN) = 𝘹 + 2𝘻 : 
VN: 3
Coordination Number (CN, sum of attached group denticities): 
CN: 8
Oxidation Number (ON) (Roman numerals): 
ON: (III)
Electron Number (EN) = 𝘮 + 𝘹 +2𝘭: 
EN: 18
Bond number (BN) = 𝘹 + 𝘭 + 𝘻: 
8
[MLXZ]𝘲 class: 
[MX3L5]
MLXZ class (ENC, equivalent neutral class): 
MX3L5
Summary of calculated classifications: 
Nb«V3C8OIIIE18B8Z0X3L5»
Geometry: 
8-coordinate: ③₂-●-2 bent metallocene
𝘥-electron configuration = 𝘮 – VN: 
d2
𝘥-electron configuration = 𝘮 – ON: 
d2
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲: 
d2
Attached atoms: 
C12H1
Phase: 
Solid
InChIKey (see www.inchi-trust.org): 
RHNJWMWBBZUMEP-MAJYTBHHSA-N