Information card for entry 7040645

Structure parameters

• Formula: C79 H103 B2 Cl2 Ir2 N16 O6
• Calculated formula: C79 H103 B2 Cl2 Ir2 N16 O6
• Title of publication: Activation of aldehydes by exocyclic iridium(i)-η(4):π(2)-diene complexes derived from 1,3-oxazolidin-2-ones.
• Authors of publication: Padilla, Rosa; Salazar-Pereda, Verónica; Mendoza-Espinosa, Daniel; Vásquez-Pérez, José M; Andrade-López, Noemí; Tamariz, Joaquín; Alvarado-Rodríguez, José G; Cruz-Borbolla, Julián
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16878 - 16888
• a: 10.509 ± 0.0006 Å
• b: 18.6526 ± 0.001 Å
• c: 20.9424 ± 0.0012 Å
• α: 87.867 ± 0.002°
• β: 77.42 ± 0.002°
• γ: 81.622 ± 0.002°
• Cell volume: 3963.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No