Information card for entry 4113729

Structure parameters

• Formula: C26 H40 Cl3 N P Rh
• Calculated formula: C26 H40 Cl3 N P Rh
• SMILES: [Rh]123(Cl)([P](C4C(=Cc5ccccc45)N(C)C)(C(C)C)C(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.ClCCl
• Title of publication: A Catalytically Active, Charge-Neutral Rh(I) Zwitterion Featuring a P,N-Substituted "Naked" Indenide Ligand
• Authors of publication: Mark Stradiotto; Judy Cipot; Robert McDonald
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 5618 - 5619
• a: 15.7732 ± 0.0011 Å
• b: 8.2243 ± 0.0006 Å
• c: 20.9941 ± 0.0015 Å
• α: 90°
• β: 91.6882 ± 0.0014°
• γ: 90°
• Cell volume: 2722.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No