catena–1D-[Ba(μ₂-I)(Thf)₂{η⁵-C₅H₂(Buᵗ)₃}]

Formula Unicode styled:

Compound name(s):

catena-[(μ₂-Iodo)-(η⁵-1,2,4-tri-t-butylcyclopentadienyl)-bis(tetrahydrofuran)-barium]

Central atom:

Charge on formula unit (QN):

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:

[MLXZ]𝘲 class:

[MX₂L₅]

MLXZ class (ENC, equivalent neutral class):

MX₂L₅

Summary of calculated classifications:

Ba«V²C⁷O^IIE¹⁴B⁷Z⁰X²L⁵»

Geometry:

𝘥-electron configuration = 𝘮 – VN:

𝘥-electron configuration = 𝘮 – ON:

𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:

Attached atoms:

C₅I₂O₂

Phase:

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

DSAJWYNOEDNPEQ-UHFFFAOYSA-N