trans–[V(I)(CO)₂(MeC≡CMe)(PMe₂Ph)₂]

Formula Unicode styled:

Compound name(s):

(etawekkec-But-2-yne)-trans-bis(dimethylphenylphosphine)-dicarbonyl-iodo-vanadium

Central atom:

Vanadium

Charge on formula unit (QN):

Attached groups:

I (iodo)

CO (carbonyl)

MeC≡CMe (butyne)

PMe₂Ph (dimethylphenylphosphane)

Compound type:

Molecular

DOI link to literature report:

10.1016/0022-328X(94)87053-5

Crystal data CSD link:

wekkec

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 1

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:

[MX₁L₅]

MLXZ class (ENC, equivalent neutral class):

MX₁L₅

Summary of calculated classifications:

V«V¹C⁶O^IE¹⁶B⁶Z⁰X¹L⁵»

Geometry:

6-coordinate: octahedron (OC-6)

Isomer label:

trans

𝘥-electron configuration = 𝘮 – VN:

d⁴

𝘥-electron configuration = 𝘮 – ON:

d⁴

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

d⁴

Attached atoms:

C₄I₁P₂

Phase:

Solid

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

DCPMWIMQRXNQQD-UHFFFAOYSA-M