trans–[Zr(Cl)₂(Thf)₂(η⁸-C₈H₆)]

Formula Unicode styled:

Compound name(s):

(η⁸-pentalene)-dichloro-bis(tetrahydrofuran)-zirconium

Central atom:

Zirconium

Charge on formula unit (QN):

Attached groups:

Cl (chloro)

Thf (tetrahydrofuran)

C₈H₆ (η⁸-pentalene)

Compound type:

Molecular

DOI link to literature report:

10.1002/anie.199717141

Crystal data CSD link:

rirxev

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:

[MX₄L₅]

MLXZ class (ENC, equivalent neutral class):

MX₄L₅

Summary of calculated classifications:

Zr«V⁴C⁸O^IVE¹⁸B⁹Z⁰X⁴L⁵»

Geometry:

8-coordinate (geometry not specified)

Isomer label:

trans

𝘥-electron configuration = 𝘮 – VN:

d⁰

𝘥-electron configuration = 𝘮 – ON:

d¹⁰

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

d⁰

Attached atoms:

C₈Cl₂O₂

Phase:

Solid

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

NARVTDMZRWNTAL-UHFFFAOYSA-L