Information card for entry 7108642

Structure parameters

• Formula: C48 H50 Ir N3 O
• Calculated formula: C48 H50 Ir N3 O
• Title of publication: Iridium(III) azuliporphyrins
• Authors of publication: Gregory M. Ferrence; Timothy D. Lash; Komal Pokharel; Matthias Zeller
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11793
• a: 13.01 ± 0.003 Å
• b: 15.894 ± 0.003 Å
• c: 18.593 ± 0.004 Å
• α: 90°
• β: 93.258 ± 0.003°
• γ: 90°
• Cell volume: 3838.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No