[Hf(BH₄-κ²H)₂(η⁵-C₅H₄Me)₂]

Formula Unicode styled:

Compound name(s):

bis(bethylcyclopentadienyl)-bis(tetrahydroborato)-hafnium

Central atom:

Hafnium

Charge on formula unit (QN):

Attached groups:

BH₄ (tetrahydroborato-κ²H)

C₅H₄Me (η⁵-methylcyclopentadienyl)

Compound type:

Molecular

Notes:

The electron count is 18 not 20 because b₂ combination does not have the proper pseudosymmetry to interact with the Cpn complexes, J. Am. Chem. Soc., 1976, 98, 1729–1742, https://doi.org/10.1021/ja00423a017.

DOI link to literature report:

10.1021/ja00477a024

Crystal data CSD link:

mchfhb10

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 4

Coordination Number (CN, sum of attached group denticities):

CN: 8

Oxidation Number (ON) (Roman numerals):

ON: (IV)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 18

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₂L₅]²⁺

MLXZ class (ENC, equivalent neutral class):

MX₄L₃

Summary of calculated classifications:

Hf«V⁴C⁸O^IVE¹⁸B⁷Z⁰X²L⁵»^2⊕

Geometry:

10-coordinate (geometry not specified)

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:

Solid

InChIKey (see www.inchi-trust.org):

VBJZVLUMGGDVMO-UHFFFAOYSA-N