Information card for entry 7011500

Structure parameters

• Formula: C10 H12 I2 N O2 Rh
• Calculated formula: C10 H12 I2 N O2 Rh
• SMILES: [Rh](I)(I)(C#[O])C#[O].[n+]1(ccc(cc1)CC)C
• Title of publication: Structure and reactivity of polymer-supported carbonylation catalysts
• Authors of publication: Haynes, Anthony; Maitlis, Peter M.; Quyoum, Ruhksana; Pulling, Claire; Adams, Harry; Spey, Sharon E.; Strange, Richard W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 12
• Pages of publication: 2565
• a: 9.127 ± 0.002 Å
• b: 13.553 ± 0.003 Å
• c: 12.251 ± 0.003 Å
• α: 90°
• β: 92.465 ± 0.005°
• γ: 90°
• Cell volume: 1514 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0595
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No