Information card for entry 1502921

Structure parameters

• Common name: complex4
• Chemical name: complex4
• Formula: C17 H28 Cl N2 Rh
• Calculated formula: C17 H28 Cl N2 Rh
• SMILES: [Rh]123(Cl)([CH]4=[CH]2CC[CH]1=[CH]3CC4)=C1N(C(C)C)C=CN1C(C)C
• Title of publication: Rhodium(NHC)-catalyzed amination of aryl bromides.
• Authors of publication: Kim, Min; Chang, Sukbok
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 1640 - 1643
• a: 10.7478 ± 0.0002 Å
• b: 12.6636 ± 0.0003 Å
• c: 26.7573 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3641.82 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No