Information card for entry 4069016

Structure parameters

• Formula: C32 H33 I N3 O P2 Rh S2
• Calculated formula: C32 H33 I N3 O P2 Rh S2
• SMILES: C1(=N\CC)/[P+](c2ccccc2)(c2ccccc2)N2[P+](/C(=N/CC)S[Rh]2(C(=O)C)(I)S1)(c1ccccc1)c1ccccc1
• Title of publication: Oxidative Addition of Iodomethane to Charge-Tuned Rhodium(I)Complexes
• Authors of publication: Delferro, Massimiliano; Tegoni, Matteo; Verdolino, Vincenzo; Cauzzi, Daniele; Graiff, Claudia; Tiripicchio, Antonio
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2062
• a: 10.2202 ± 0.001 Å
• b: 17.1021 ± 0.0017 Å
• c: 19.943 ± 0.002 Å
• α: 90°
• β: 99.151 ± 0.002°
• γ: 90°
• Cell volume: 3441.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.067
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No