Formula Unicode styled:
[Zr(Me)(Tht)(Cp*)₂]⊕
Compound name(s):
(η⁵-Pentamethyl-cyclopentadienyl)-methyl-(tetrahydrothiophene-S)-zirconium(1+)
Central atom:
Charge on formula unit (QN):
1+
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:
8
[MLXZ]𝘲 class:
[MX3L5]+
MLXZ class (ENC, equivalent neutral class):
MX4L4
Summary of calculated classifications:
Zr«V4C8OIVE16B8Z0X3L5»⊕
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:
C11S1
Phase:
InChIKey (see www.inchi-trust.org):
RGPNOPWJJJLYDG-UHFFFAOYSA-N