Information card for entry 4081201

Structure parameters

• Formula: C53 H57 B Ir O P
• Calculated formula: C53 H57 B Ir O P
• Title of publication: Formation of Indanone from an Iridanaphthalene Complex
• Authors of publication: Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.; Hermida-Ramón, J. M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4058
• a: 13.2756 ± 0.0011 Å
• b: 17.7922 ± 0.0015 Å
• c: 18.8274 ± 0.0016 Å
• α: 90°
• β: 96.711 ± 0.002°
• γ: 90°
• Cell volume: 4416.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1099
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No