Information card for entry 4325857

Structure parameters

• Formula: C20 H22 N3 O Rh
• Calculated formula: C20 H22 N3 O Rh
• SMILES: [Rh]1234([n]5ccccc5C(=O)N1Cc1ncccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• 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: 18.075 ± 0.005 Å
• b: 10.159 ± 0.005 Å
• c: 18.792 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.921 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3388 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No