Information card for entry 7040744

Structure parameters

• Formula: C71 H54 B Cl2 F24 Ir N3 P
• Calculated formula: C71 H54 B Cl2 F24 Ir N3 P
• Title of publication: Synthesis, structure and reactivity of Pd and Ir complexes based on new lutidine-derived NHC/phosphine mixed pincer ligands.
• Authors of publication: Sánchez, Práxedes; Hernández-Juárez, Martín; Álvarez, Eleuterio; Paneque, Margarita; Rendón, Nuria; Suárez, Andrés
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16997 - 17009
• a: 12.672 ± 0.0003 Å
• b: 15.6405 ± 0.0003 Å
• c: 18.3012 ± 0.0003 Å
• α: 102.591 ± 0.001°
• β: 90.394 ± 0.001°
• γ: 100.262 ± 0.001°
• Cell volume: 3479.42 ± 0.12 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No