fac–[V(Cl)₂(NCMe)₃(NO)]

Formula Unicode styled:

Compound name(s):

tris(Acetonitrile)-dichloro-nitrosyl-vanadium

Central atom:

Vanadium

Charge on formula unit (QN):

Attached groups:

Cl (chloro)

NCMe (acetonitrile)

NO (nitrosyl, linear)

Compound type:

Molecular

DOI link to literature report:

10.1021/ic0491534

Crystal data CSD link:

sahjiv

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 5

Coordination Number (CN, sum of attached group denticities):

CN: 6

Oxidation Number (ON) (Roman numerals):

ON: (I)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 16

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₃L₄Z₁]

MLXZ class (ENC, equivalent neutral class):

MX₅L₃

Summary of calculated classifications:

V«V⁵C⁶O^IE¹⁶B⁸X³L⁴Z¹»

Geometry:

6-coordinate: octahedron (OC-6)

Isomer label:

fac

𝘥-electron configuration = 𝘮 – VN:

d⁰

𝘥-electron configuration = 𝘮 – ON:

d⁴

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

d⁰

Attached atoms:

Cl₂N₄

Phase:

Solid

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

PNWFQVAEBUOJNL-UHFFFAOYSA-L