Information card for entry 4062303

Structure parameters

• Common name: bromodicarbonyliridium(I)(mu,sigma,pi-2,4,6-trimethylphenyl)(1,5-cyclooctadien
• Formula: C19 H23 Br Ir2 O2
• Calculated formula: C19 H23 Br Ir2 O2
• SMILES: [Ir](Br)([c]12[c]3([Ir]4567891([cH]3[c]4([cH]5[c]26C)C)[CH]1=[CH]7CC[CH]8=[CH]9CC1)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: 14.1633 ± 0.0011 Å
• b: 14.764 ± 0.0011 Å
• c: 18.7081 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3912 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0886
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No