cis,cis–[W(I)₂(CO)(MeC≡CMe)(Dppm-κ²P)]

Formula Unicode styled:

Compound name(s):

(η²-But-2-yne)-carbonyl-(bis(diphenylphosphino)methane-P,P')-di-iodo-tungsten

Central atom:

Tungsten

Charge on formula unit (QN):

Attached groups:

I (iodo)

CO (carbonyl)

MeC≡CMe (butyne)

Dppm (bis-(diphenylphosphino)methane-κ²P)

Compound type:

Molecular

DOI link to literature report:

10.1039/DT9890000295

Crystal data CSD link:

kawnax

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 2

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

CN: 6

Oxidation Number (ON) (Roman numerals):

ON: (II)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 16

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₂L₄]

MLXZ class (ENC, equivalent neutral class):

MX₂L₄

Summary of calculated classifications:

W«V²C⁶O^IIE¹⁶B⁶Z⁰X²L⁴»

Geometry:

6-coordinate: octahedron (OC-6)

Isomer label:

cis,cis

𝘥-electron configuration = 𝘮 – VN:

d⁴

𝘥-electron configuration = 𝘮 – ON:

d⁴

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

d⁴

Attached atoms:

C₃I₂P₂

Phase:

Solid

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

NQTZMHRACAKVSU-UHFFFAOYSA-L