Information card for entry 4081905

Structure parameters

• Formula: C40 H38 Ir N O4 P2
• Calculated formula: C40 H38 Ir N O4 P2
• 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: 9.6225 ± 0.0013 Å
• b: 13.0524 ± 0.0017 Å
• c: 15.245 ± 0.002 Å
• α: 111.006 ± 0.003°
• β: 95.558 ± 0.003°
• γ: 103.966 ± 0.003°
• Cell volume: 1698.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No