trans–[Ir(AlPh₃)(H)₂(PMe₃)(Cp*)]

Formula Unicode styled:

Compound name(s):

(η⁵-Pentamethyl-cyclopentadienyl)-dihydrido-trimethylphosphine-triphenyl-aluminium-iridium

Central atom:

Iridium

Charge on formula unit (QN):

Attached groups:

AlPh₃ (triphenylaluminium)

H (hydrido)

PMe₃ (trimethylphosphane)

Cp* (η⁵-pentamethylcyclopentadienyl)

Compound type:

Molecular

DOI link to literature report:

10.1021/ja973230v

Crystal data CSD link:

paxmac

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 5

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

CN: 7

Oxidation Number (ON) (Roman numerals):

ON: (III)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 18

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₃L₃Z₁]

MLXZ class (ENC, equivalent neutral class):

MX₅L₂

Summary of calculated classifications:

Ir«V⁵C⁷O^IIIE¹⁸B⁷X³L³Z¹»

Geometry:

7-coordinate: ③-●-4 piano stool

Isomer label:

trans

𝘥-electron configuration = 𝘮 – VN:

d⁴

𝘥-electron configuration = 𝘮 – ON:

d⁶

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

d⁴

Attached atoms:

C₅H₂Al₁P₁

Phase:

Solid

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

FXXXSJKIBFDENR-UHFFFAOYSA-N