fac–[Sc(CH₂SiMe₃)₃([9]aneS₃-κ²S)]

Formula Unicode styled:

Compound name(s):

(1,4,7-Trithiacyclononane)-tris((trimethylsilyl)methyl)-scandium

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:

[MX₃L₂]

MLXZ class (ENC, equivalent neutral class):

MX₃L₂

Summary of calculated classifications:

Sc«V³C⁵O^IIIE¹⁰B⁵Z⁰X³L²»

Geometry:

Isomer label:

𝘥-electron configuration = 𝘮 – VN:

d⁰

𝘥-electron configuration = 𝘮 – ON:

d¹⁰

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

d⁰

Attached atoms:

C₃S₂

Phase:

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

WKAXLZGHSMBOAI-UHFFFAOYSA-N