fac–[Ir(C₃H₅-κC)₃(CNXy)₃]

Formula Unicode styled: 
fac–[Ir(C₃H₅-κC)₃(CNXy)₃]
Compound name(s): 
tris(Allyl)-tris(2,6-dimethylphenylisocyanide)-iridium
Central atom: 
Iridium
Charge on formula unit (QN): 
0
Attached groups: 
C₃H₅ (allyl-κC)
CNXy (xylyl isocyanide)
Compound type: 
Molecular
DOI link to literature report: 
10.1021/om000734k
Crystal data CSD link: 
rimgoj
Crystal data ICSD link: 
Valence Number (VN) = 𝘹 + 2𝘻 : 
VN: 3
Coordination Number (CN, sum of attached group denticities): 
CN: 6
Oxidation Number (ON) (Roman numerals): 
ON: (III)
Electron Number (EN) = 𝘮 + 𝘹 +2𝘭: 
EN: 18
Bond number (BN) = 𝘹 + 𝘭 + 𝘻: 
6
[MLXZ]𝘲 class: 
[MX3L3]
MLXZ class (ENC, equivalent neutral class): 
MX3L3
Summary of calculated classifications: 
Ir«V3C6OIIIE18B6Z0X3L3»
Geometry: 
6-coordinate: octahedron (OC-6)
Isomer label: 
fac
𝘥-electron configuration = 𝘮 – VN: 
d6
𝘥-electron configuration = 𝘮 – ON: 
d6
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲: 
d6
Attached atoms: 
C6
Phase: 
Solid
InChIKey (see www.inchi-trust.org): 
CFIIDKOONMJFBJ-UHFFFAOYSA-N