Information card for entry 4081906

Structure parameters

• Formula: C86 H138 Ir4 N2 O10
• Calculated formula: C86 H130 Ir4 N2 O10
• Title of publication: ONO Dianionic Pincer-Type Ligand Precursors for the Synthesis of σ,π-Cyclooctenyl Iridium(III) Complexes: Formation Mechanism and Coordination Chemistry
• Authors of publication: Nguyen, Duc Hanh; Greger, Ingo; Pérez-Torrente, Jesús J.; Jiménez, M. Victoria; Modrego, F. Javier; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 6903
• a: 16.734 ± 0.0007 Å
• b: 16.734 ± 0.0007 Å
• c: 28.8823 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8087.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No