Formula Unicode styled:
[Hf(BH₄-κ²H)₂(η⁵-C₅H₄Me)₂]
Compound name(s):
bis(bethylcyclopentadienyl)-bis(tetrahydroborato)-hafnium
Central atom:
Charge on formula unit (QN):
0
Attached groups:
Compound type:
Notes:
Elsewhere it is demonstrated that in an idealised (C₅H₅)₂Zr(BH₄)₂ structure having all four bridging hydrogen atoms coplanar, one of the four donor molecular orbitals (b₂) provided by the two tetrahydroborate groups does not possess the correct symmetry for bond formation with, and electron donation to, the (C₅H₅)₂Zr centre. 18-electron count. This corresponds to a -L adjustment and consequently an This Hf structure is distorted but this reduced metal-ligand bonding may persist to a some degree in [Hf(BH₄-κ²H)₂(η⁵-C₅H₄Me)₂]. See J.W. Lauher and R. Hoffmann, J. Am. Chem. Soc., 1976, 98, 1729–1742. https://pubs.acs.org/doi/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:
7
[MLXZ]𝘲 class:
[MX2L5]2+
MLXZ class (ENC, equivalent neutral class):
MX4L3
Summary of calculated classifications:
Hf«V4C8OIVE18B7Z0X2L5»2⊕
Geometry:
𝘥-electron configuration = 𝘮 – VN:
d0
𝘥-electron configuration = 𝘮 – ON:
d10
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
d0
Attached atoms:
C10H4
Phase:
InChIKey (see www.inchi-trust.org):
VBJZVLUMGGDVMO-UHFFFAOYSA-N