Information card for entry 4067760

Structure parameters

• Formula: C17 H28 Cl N2 Rh
• Calculated formula: C17 H28 Cl N2 Rh
• SMILES: [Rh]123(Cl)([CH]8=[CH]1CC[CH]2=[CH]3CC8)=C(N1CCCC1)N1CCCC1
• Title of publication: Bis(2-alkylpyrrolidin-1-yl)methylidenes as Chiral Acyclic Diaminocarbene Ligands
• Authors of publication: Snead, David R.; Inagaki, Sebastien; Abboud, Khalil A.; Hong, Sukwon
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1729
• a: 6.5715 ± 0.0006 Å
• b: 18.7963 ± 0.0018 Å
• c: 13.799 ± 0.0013 Å
• α: 90°
• β: 94.439 ± 0.002°
• γ: 90°
• Cell volume: 1699.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0351
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No