Formula Unicode styled:
[Mo(CO)(PhC≡CPh)₃]
Compound name(s):
Carbonyl-tris(η-1,2-diphenylethyne)-molybdenum
Central atom:
Charge on formula unit (QN):
0
Attached groups:
Compound type:
Notes:
The three alkyne groups as a set contribute 10 electrons (L5) rather than 12 (four for each alkyne) to the d-block metal. This is because one of the six ligand orbitals set (A2' in point group C3v) associated with the three alkyne groups set has no match with the metal atomic orbitals (there are nine available, sp3d5). The result is a formal metal electron count reduction of two. The EN is made up to 18 through the coordination of one additional L ligand. See:
- R.B. King, Inorg. Chem., 1968; strong>7, 1044, https://pubs.acs.org/doi/pdf/10.1021/ic50063a050.
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:
[ML6]
MLXZ class (ENC, equivalent neutral class):
ML6
Summary of calculated classifications:
Mo«V0C4OOE18B6Z0X0L6»
Geometry:
𝘥-electron configuration = 𝘮 – VN:
d6
𝘥-electron configuration = 𝘮 – ON:
d6
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
d6
Attached atoms:
C7
Phase:
InChIKey (see www.inchi-trust.org):
GESWPFJUROBTAE-UHFFFAOYSA-N