Information card for entry 7005334

Structure parameters

• Formula: C33 H29 I2 N3 O P Rh
• Calculated formula: C33 H29 I2 N3 O P Rh
• SMILES: [Rh]1(C#[O])(I)(I)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](=NN1c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Iodination of triazenide-bridged rhodium and iridium complexes: oxidative addition vs. one-electron oxidation.
• Authors of publication: Adams, Christopher J.; Baber, R. Angharad; Connelly, Neil G.; Harding, Phimphaka; Hayward, Owen D.; Kandiah, Mathivathani; Orpen, A. Guy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 13
• Pages of publication: 1325 - 1333
• a: 9.252 ± 0.002 Å
• b: 18.05 ± 0.003 Å
• c: 19.716 ± 0.004 Å
• α: 90°
• β: 97.006 ± 0.014°
• γ: 90°
• Cell volume: 3268 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.107
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No