Information card for entry 4083986

Structure parameters

• Formula: C48 H44 N O P2 Rh
• Calculated formula: C48 H44 N O P2 Rh
• SMILES: [Rh]12(c3c(C(=[N]2c2ccc(OC)cc2)c2ccc(cc2)C)ccc(c3)C)[P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1
• 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: 14.72 ± 0.003 Å
• b: 29.946 ± 0.006 Å
• c: 18.379 ± 0.004 Å
• α: 90°
• β: 98.62 ± 0.03°
• γ: 90°
• Cell volume: 8010 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No