Information card for entry 2243339

Structure parameters

• Chemical name: (η^4^-Cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide
• Formula: C18 H28 I Ir N4
• Calculated formula: C18 H28 I Ir N4
• Title of publication: Crystal structures of (η^4^-cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide and (η^4^-cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide
• Authors of publication: Bernier, Chad M.; DuChane, Christine M.; Merola, Joseph S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• Pages of publication: 611 - 614
• a: 26.6519 ± 0.0004 Å
• b: 8.307 ± 0.0002 Å
• c: 9.7852 ± 0.0002 Å
• α: 90°
• β: 100.241 ± 0.002°
• γ: 90°
• Cell volume: 2131.9 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes