Information card for entry 4067762

Structure parameters

• Formula: C23 H40 Cl N2 Rh
• Calculated formula: C23 H40 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C(N4CCC[C@H]4C(C)C)N4CCC[C@H]4C(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• 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: 9.5397 ± 0.0012 Å
• b: 12.2604 ± 0.0016 Å
• c: 19.335 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2261.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0182
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No