Information card for entry 4321473

Structure parameters

• Chemical name: acetyl iodide carbonyl triisopropylphosphine di-mu-diamidonaphthalene di-rhodium
• Formula: C31 H53 I N2 O2 P2 Rh2
• Calculated formula: C31 H53 I N2 O2 P2 Rh2
• SMILES: I[Rh]1([NH]2[Rh]([P](C(C)C)(C(C)C)C(C)C)([NH]1c1cccc4cccc2c14)C#[O])([P](C(C)C)(C(C)C)C(C)C)C(=O)C
• Title of publication: Key Factors Determining the Course of Methyl Iodide Oxidative Addition to Diamidonaphthalene-Bridged Diiridium(I) and Dirhodium(I) Complexes
• Authors of publication: M. Victoria Jiménez; Eduardo Sola; M. Angeles Egea; Aline Huet; Ana C. Francisco; Fernando J. Lahoz; Luis A. Oro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4868 - 4878
• a: 14.7147 ± 0.0009 Å
• b: 11.8158 ± 0.0008 Å
• c: 21.6449 ± 0.0016 Å
• α: 90°
• β: 106.449 ± 0.005°
• γ: 90°
• Cell volume: 3609.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No