[Ir([9]aneN₃-κ³N)(Cp*)]²⊕

Formula Unicode styled: 
[Ir([9]aneN₃-κ³N)(Cp*)]²⊕
Compound name(s): 
(η⁵-Pentamethyl-cyclopentadienyl)-(1,4,7-triazacyclononane)-iridium(2+)
Central atom: 
Iridium
Charge on formula unit (QN): 
2+
Attached groups: 
[9]aneN₃ (1,4,7-triazacyclononane-κ³N)
Cp* (η⁵-pentamethylcyclopentadienyl)
Compound type: 
Molecular
DOI link to literature report: 
10.1016/j.jorganchem.2004.10.010
Crystal data CSD link: 
kajzur
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: 
[MX1L5]2+
MLXZ class (ENC, equivalent neutral class): 
MX3L3
Summary of calculated classifications: 
Ir«V3C6OIIIE18B6Z0X1L5»2⊕
Geometry: 
6-coordinate: ③-●-3 piano stool
𝘥-electron configuration = 𝘮 – VN: 
d6
𝘥-electron configuration = 𝘮 – ON: 
d6
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲: 
d6
Attached atoms: 
C5N3
Phase: 
Solid
InChIKey (see www.inchi-trust.org): 
KDFYCSXDYUQSPY-UHFFFAOYSA-N