Formula Unicode styled:
[Mn(Thf)(Cp₂)]
Compound name(s):
bis(η-Cyclopentadienyl)-(tetrahydrofuran-O)-manganese
Central atom:
Charge on formula unit (QN):
0
Attached groups:
Compound type:
Notes:
At first sight this is a 19-electron compound (7 from the metal, 2 from the THF and 10 from the pair of cyclopentadienyl groups). Calculations suggest that two electrons are located in ligand-based orbitals rather than metal orbitals thus reducing the effective electron count to 17. The authors of the structural paper suggest this may not be directly applicable as the bonding of the manganese to the cyclopentadienyl might be quite ionic in this case.
For additional insight try:
- J.W. Lauher and R. Hoffmann, J. Am. Chem. Soc. 1976, 98, 1729-1742, https://pubs.acs.org/doi/pdf/10.1021/ja00423a017
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:
[MX2L4]
MLXZ class (ENC, equivalent neutral class):
MX2L4
Summary of calculated classifications:
Mn«V2C7OIIE17B6Z0X2L4»
Geometry:
𝘥-electron configuration = 𝘮 – VN:
d5
𝘥-electron configuration = 𝘮 – ON:
d5
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
d5
Attached atoms:
C10O1
Phase:
InChIKey (see www.inchi-trust.org):
OZXGJQZCXJTXBP-UHFFFAOYSA-N