Information card for entry 7108666

Structure parameters

• Formula: C34 H48 Cl5 N4 O4 Rh2
• Calculated formula: C34 H48 Cl5 N4 O4 Rh2
• SMILES: [Rh]1234([Rh]56(OC(=[NH]1)C(C)(C)Cc1cccc(c1)CC(C)(C)C(O5)=[NH]2)OC(=[NH]3)C(C)(C)Cc1cccc(c1)CC(C)(C)C(O6)=[NH]4)Cl.ClCCl.ClCCl
• Title of publication: Introducing a mixed-valent dirhodium(II,III) catalyst with increased stability in C-H amination
• Authors of publication: Katherine P. Kornecki; John F. Berry
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 12097
• a: 13.275 ± 0.0003 Å
• b: 12.8783 ± 0.0003 Å
• c: 23.4841 ± 0.0005 Å
• α: 90°
• β: 104.627 ± 0.001°
• γ: 90°
• Cell volume: 3884.71 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No