Information card for entry 4083626

Structure parameters

• Formula: C56 H43 Ir N4 O2
• Calculated formula: C56 H40 Ir N4 O2
• Title of publication: Syntheses of Acyliridium Porphyrins by Aldehydic Carbon−Hydrogen Bond Activation with Iridium(III) Porphyrin Chloride and Methyl
• Authors of publication: Song, Xu; Chan, Kin Shing
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 965
• a: 8.839 ± 0.0014 Å
• b: 28.222 ± 0.004 Å
• c: 22.931 ± 0.004 Å
• α: 90°
• β: 98.215 ± 0.003°
• γ: 90°
• Cell volume: 5661.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No