Information card for entry 7011499

Structure parameters

• Formula: C8 H8 I2 N O2 Rh
• Calculated formula: C8 H8 I2 N O2 Rh
• SMILES: [Rh](I)(I)(C#[O])C#[O].[n+]1(ccccc1)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: 7.137 ± 0.002 Å
• b: 7.503 ± 0.003 Å
• c: 12.697 ± 0.003 Å
• α: 78.932 ± 0.018°
• β: 87.86 ± 0.017°
• γ: 75.72 ± 0.03°
• Cell volume: 646.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No