Formula Unicode styled:
trans,trans,trans–[Nb(I)(CO)₂(MeC≡CMe)(PEt₃)₂]
Compound name(s):
(eta²-But-2-yne)-dicarbonyl-iodo-bis(triethylphosphine)-niobium
Central atom:
Charge on formula unit (QN):
0
Attached groups:
Compound type:
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:
6
[MLXZ]𝘲 class:
[MX1L5]
MLXZ class (ENC, equivalent neutral class):
MX1L5
Summary of calculated classifications:
Nb«V1C6OIE16B6Z0X1L5»
Geometry:
Isomer label:
𝘥-electron configuration = 𝘮 – VN:
d4
𝘥-electron configuration = 𝘮 – ON:
d4
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
d4
Attached atoms:
C4I1P2
Phase:
InChIKey (see www.inchi-trust.org):
KDCVOFDAOFMEHH-UHFFFAOYSA-M