Information card for entry 4083056

Structure parameters

• Formula: C68 H66 B F4 Ir N4 O P2
• Calculated formula: C68 H66 B F4 Ir N4 O P2
• Title of publication: Addition of Amines to a Carbonyl Ligand: Syntheses, Characterization, and Reactivities of Iridium(III) Porphyrin Carbamoyl Complexes
• Authors of publication: Dairo, Taiwo O.; Ellern, Arkady; Angelici, Robert J.; Woo, L. Keith
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2266
• a: 16.528 ± 0.004 Å
• b: 16.705 ± 0.004 Å
• c: 25.722 ± 0.005 Å
• α: 82.678 ± 0.004°
• β: 72.836 ± 0.004°
• γ: 61.732 ± 0.004°
• Cell volume: 5976 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No