Information card for entry 4062304

Structure parameters

• Common name: dicarbonyl(2,6-dimethylphenyl)iridium(I)(mu,sigma,pi-2,6-dimethylphenyl)(1,5-c
• Formula: C26 H30 Ir2 O2
• Calculated formula: C26 H30 Ir2 O2
• SMILES: [Ir]([c]12[c]3([Ir]4567891([c]2([cH]4[cH]5[cH]36)C)[CH]1=[CH]7CC[CH]8=[CH]9CC1)C)(c1c(cccc1C)C)(C#[O])C#[O]
• Title of publication: Unsymmetrically Bridging Aryls of Iridium
• Authors of publication: Muldoon, John; Brown, Seth N.
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 22
• Pages of publication: 4480 - 4489
• a: 14.2533 ± 0.0006 Å
• b: 14.6197 ± 0.0006 Å
• c: 21.3585 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4450.7 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0617
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No