Information card for entry 4073024

Structure parameters

• Formula: C33 H37 I2 N O2 P Rh
• Calculated formula: C33 H37 I2 N O2 P Rh
• SMILES: [Rh]1([P](c2ccccc2C=[N]1c1ccccc1OC)(c1ccccc1)c1ccccc1)(I)(I)C(=O)C.CCCCC
• Title of publication: Reactivity of Rhodium(I) Iminophosphine Carbonyl Complexes with Methyl Iodide
• Authors of publication: Best, Jonathan; Wilson, John M.; Adams, Harry; Gonsalvi, Luca; Peruzzini, Maurizio; Haynes, Anthony
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 1960
• a: 13.4037 ± 0.0008 Å
• b: 16.9491 ± 0.0011 Å
• c: 14.0277 ± 0.0009 Å
• α: 90°
• β: 90.975 ± 0.003°
• γ: 90°
• Cell volume: 3186.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1425
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No