Information card for entry 4062301

Structure parameters

• Common name: (1,5-cyclooctadiene)bromoiridium(I)(mu,sigma,pi-2,4,6-trimethylphenyl)(1,5-cyc
• Formula: C25 H35 Br Ir2
• Calculated formula: C25 H35 Br Ir2
• SMILES: [Ir]123(Br)([c]45[c]6([Ir]789%10%11%124([c]5([cH]7[c]8([cH]69)C)C)[CH]4=[CH]%10CC[CH]%11=[CH]%12CC4)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• 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: 15.383 ± 0.002 Å
• b: 21.473 ± 0.002 Å
• c: 14.5907 ± 0.001 Å
• α: 90°
• β: 102.942 ± 0.008°
• γ: 90°
• Cell volume: 4697.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1187
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No