Formula Unicode styled:
[Zr(η³-C₃H₅)(η⁴-C₄H₆)(Cp)]
Compound name(s):
(eta³-Allyl)-(η$4!-butadiene)-(η⁵-cyclopentadienyl)-zirconium
Central atom:
Charge on formula unit (QN):
0
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:
7
[MLXZ]𝘲 class:
[MX2L5]
MLXZ class (ENC, equivalent neutral class):
MX2L5
Summary of calculated classifications:
Zr«V2C7OIIE16B7Z0X2L5»
Geometry:
𝘥-electron configuration = 𝘮 – VN:
d2
𝘥-electron configuration = 𝘮 – ON:
d2
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
d2
Attached atoms:
C12
Phase:
InChIKey (see www.inchi-trust.org):
DCMGRUGQXPMJKM-UHFFFAOYSA-N