Information card for entry 4078250

Structure parameters

• Common name: Ir(TTP)(CO)I (Compound
• Formula: C49 H36 I Ir N4 O
• Calculated formula: C49 H36 I Ir N4 O
• Title of publication: Olefin Cyclopropanation Catalyzed by Iridium(III) Porphyrin Complexes
• Authors of publication: Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3628
• a: 14.6955 ± 0.0005 Å
• b: 14.6955 ± 0.0005 Å
• c: 9.7922 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2114.7 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.346
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No