fac–[Nb(Me)₂(MeC≡CMe)(Tp*-κ³N)]

Formula Unicode styled: 
fac–[Nb(Me)₂(MeC≡CMe)(Tp*-κ³N)]
Compound name(s): 
(Hydrogen tris(3,5-dimethylpyrazol-1-yl)borate)-(eta²-but-2-yne)-dimethyl-niobium
Central atom: 
Charge on formula unit (QN): 
0
Compound type: 
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: 
6
[MLXZ]𝘲 class: 
[MX3L3]
MLXZ class (ENC, equivalent neutral class): 
MX3L3
Summary of calculated classifications: 
Nb«V3C6OIIIE14B6Z0X3L3»
Isomer label: 
𝘥-electron configuration = 𝘮 – VN: 
d2
𝘥-electron configuration = 𝘮 – ON: 
d2
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲: 
d2
Attached atoms: 
C4N3
Phase: 
InChIKey (see www.inchi-trust.org): 
GLRZSZSFAOLRJR-UHFFFAOYSA-N