Information card for entry 7001346

Structure parameters

• Formula: C20.25 H18.5 Cl1.5 N O P Rh
• Calculated formula: C20 H18 Cl N O P Rh
• SMILES: [Rh]1(Cl)([P](c2c([NH]1C)cccc2)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Mono- and binuclear complexes of rhodium involving a new series of hemilabile o-phosphinoaniline ligands
• Authors of publication: Hounjet, Lindsay J.; Bierenstiel, Matthias; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 21
• Pages of publication: 4213 - 4226
• a: 10.2776 ± 0.0008 Å
• b: 34.571 ± 0.003 Å
• c: 11.5554 ± 0.0009 Å
• α: 90°
• β: 103.277 ± 0.001°
• γ: 90°
• Cell volume: 3996 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No