Information card for entry 7028274

Structure parameters

• Chemical name: (η^4^-Cyclooctadiene)(<i>N</i>,<i>N'</i>-diphenylacetamidinato- κ^2^<i>N</i>,<i>N'</i>)iridium(I)
• Formula: C22 H25 Ir N2
• Calculated formula: C22 H25 Ir N2
• SMILES: [Ir]1234([N](=C(N1c1ccccc1)C)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: Formation and reactivity of an (alkene)peroxoiridium(III) intermediate supported by an amidinato ligand.
• Authors of publication: Kelley, Matthew R.; Rohde, Jan-Uwe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 527 - 537
• a: 11.449 ± 0.0012 Å
• b: 11.5722 ± 0.0013 Å
• c: 14.0712 ± 0.0015 Å
• α: 80.122 ± 0.005°
• β: 86.13 ± 0.005°
• γ: 89.199 ± 0.005°
• Cell volume: 1832.5 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No