Information card for entry 4318124

Structure parameters

• Chemical name: [(η3-tris(3,5-dimethylpyrazolyl)borato)methyl(carbonyl) (trimethylphosphine)rhodium(III)]iodide,dichloromethene
• Formula: C21 H36 B Cl2 I N6 O P Rh
• Calculated formula: C21 H31 B Cl2 I N6 O P Rh
• SMILES: [Rh]12([P](C)(C)C)([n]3n([BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C)(C#[O])C.[I-].ClCCl
• Title of publication: A Mechanistic Investigation of Oxidative Addition of Methyl Iodide to [Tp*Rh(CO)(L)]
• Authors of publication: Valérie Chauby; Jean-Claude Daran; Carole Serra-Le Berre; François Malbosc; Philippe Kalck; Oscar Delgado Gonzalez; Claire E. Haslam; Anthony Haynes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3280 - 3290
• a: 10.237 ± 0.002 Å
• b: 12.395 ± 0.002 Å
• c: 13.238 ± 0.003 Å
• α: 77.45 ± 0.02°
• β: 67.77 ± 0.02°
• γ: 80.4 ± 0.02°
• Cell volume: 1511.1 ± 0.6 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0391
• Goodness-of-fit parameter for significantly intense reflections: 1.0432
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No