Information card for entry 7001347

Structure parameters

• Formula: C21.5 H22 Cl2 N2 O P Rh
• Calculated formula: C21.5 H22 Cl2 N2 O P Rh
• SMILES: [Rh]1(Cl)([P](c2c([NH]1C)cccc2)(c1c(NC)cccc1)c1ccccc1)C#[O].ClCCl
• 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: 12.768 ± 0.002 Å
• b: 13.306 ± 0.002 Å
• c: 14.389 ± 0.002 Å
• α: 84.988 ± 0.002°
• β: 76.837 ± 0.002°
• γ: 74.965 ± 0.002°
• Cell volume: 2297.8 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No