Information card for entry 4325856

Structure parameters

• Formula: C31 H42 Ir2 N3
• Calculated formula: C31 H42 Ir2 N3
• Title of publication: Cooperative Double Deprotonation of Bis(2-picolyl)amine Leading to Unexpected Bimetallic Mixed Valence (M-I, MI) Rhodium and Iridium Complexes
• Authors of publication: Cristina Tejel; M. Pilar del Río; Laura Asensio; Fieke J. van den Bruele; Miguel A. Ciriano; Nearchos Tsichlis i Spithas; Dennis G. H. Hetterscheid; Bas de Bruin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7524 - 7534
• a: 13.2335 ± 0.0008 Å
• b: 12.1644 ± 0.0007 Å
• c: 18.2294 ± 0.001 Å
• α: 90°
• β: 110.821 ± 0.001°
• γ: 90°
• Cell volume: 2742.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No