Information card for entry 4067761

Structure parameters

• Formula: C19 H32 Cl N2 Rh
• Calculated formula: C19 H32 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C(N4CCC[C@@H]4C)N4CCC[C@@H]4C)[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: 10.4422 ± 0.0009 Å
• b: 11.988 ± 0.001 Å
• c: 15.3266 ± 0.0013 Å
• α: 90°
• β: 93.832 ± 0.001°
• γ: 90°
• Cell volume: 1914.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No