trans–[Ir(Cl)(=CPh₂)(PPrⁱ₃)₂]

Formula Unicode styled:

Compound name(s):

Chloro-(diphenylmethylidene)-bis(triisopropylphosphine)-iridium

Central atom:

Iridium

Charge on formula unit (QN):

Attached groups:

Cl (chloro)

=CPh₂ (diphenylmethylidene)

PPrⁱ₃ (triisopropylphosphane)

Compound type:

Molecular

DOI link to literature report:

10.1021/om020069a

Crystal data CSD link:

ifomar

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 3

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

CN: 4

Oxidation Number (ON) (Roman numerals):

ON: (III)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 16

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₃L₂]

MLXZ class (ENC, equivalent neutral class):

MX₃L₂

Summary of calculated classifications:

Ir«V³C⁴O^IIIE¹⁶B⁵Z⁰X³L²»

Geometry:

4-coordinate: square plane (SP-4)

Isomer label:

trans

𝘥-electron configuration = 𝘮 – VN:

d⁶

𝘥-electron configuration = 𝘮 – ON:

d⁶

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

d⁶

Attached atoms:

C₁Cl₁P₂

Phase:

Solid

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

XICDBMHOJVUWNS-UHFFFAOYSA-M