Information card for entry 4075183

Structure parameters

• Formula: C19 H30 Cl N2 Rh
• Calculated formula: C19 H30 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C4N5CCCC[C@@H]5[C@H]5N4CCCC5)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Chiral N-Heterocyclic Carbene Ligands Derived from 2,2‘-Bipiperidine and Partially Reduced Biisoquinoline: Rhodium and Iridium Complexes in Asymmetric Catalysis†
• Authors of publication: Herrmann, Wolfgang A.; Baskakov, Denys; Herdtweck, Eberhardt; Hoffmann, Stephan D.; Bunlaksananusorn, Tanasri; Rampf, Florian; Rodefeld, Lars
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2449
• a: 10.6567 ± 0.0001 Å
• b: 11.3869 ± 0.0001 Å
• c: 15.1128 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1833.89 ± 0.03 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0161
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No