Information card for entry 2242054

Structure parameters

• Common name: IrCl(1,5-cod)~2~
• Chemical name: Chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)
• Formula: C16 H24 Cl Ir
• Calculated formula: C16 H24 Cl Ir
• SMILES: [Ir]123456(Cl)([CH]7=[CH]1CC[CH]2=[CH]3CC7)[CH]1=[CH]4CC[CH]5=[CH]6CC1
• Title of publication: Crystal structure of chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)
• Authors of publication: Rahman, A. K. Fazlur; Wilklow-Marnell, Miles; Brennessel, William W.; Jones, William D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 273 - 277
• a: 12.8756 ± 0.0008 Å
• b: 13.3719 ± 0.0008 Å
• c: 15.9033 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2738.1 ± 0.3 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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 all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes