Information card for entry 4083985

Structure parameters

• Formula: C61 H59 N2 O2 P2 Rh
• Calculated formula: C61 H51 N2 O2 P2 Rh
• SMILES: [Rh]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(N(c1ccc(cc1)C(=O)OC)C(c1ccc(cc1)C)c1ccc(cc1)C)[n]1ccccc1.c1ccccc1C
• Title of publication: Reactions of an Arylrhodium Complex with Aldehydes, Imines, Ketones, and Alkynones. New Classes of Insertion Reactions
• Authors of publication: Krug, Christopher; Hartwig, John F.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 20
• Pages of publication: 4594 - 4607
• a: 20.443 ± 0.004 Å
• b: 13.454 ± 0.003 Å
• c: 20.069 ± 0.004 Å
• α: 90°
• β: 110.31 ± 0.03°
• γ: 90°
• Cell volume: 5177 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1024
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No