Information card for entry 7113405

Structure parameters

• Common name: 3·CH3NO2
• Formula: C29 H32 I N O2 P Rh
• Calculated formula: C29 H32 I N O2 P Rh
• SMILES: [Rh]123456([P]([C@@H](C[c]71[cH]2[cH]3[cH]4[cH]57)c1ccccc1)(c1ccccc1)c1ccccc1)([CH2]=[CH2]6)C.O=N(=O)C.[I-]
• Title of publication: Isolation and structural characterization of an optically active intermediate in the oxidative addition of methyl iodide on a rhodium(I) centre.
• Authors of publication: Doppiu, Angelino; Englert, Ulli; Salzer, Albrecht
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 19
• Pages of publication: 2166 - 2167
• a: 9.913 ± 0.003 Å
• b: 14.436 ± 0.004 Å
• c: 19.885 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2845.6 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No