Information card for entry 7001350

Structure parameters

• Formula: C31.75 H35.5 Cl3.5 N4 O2 P2 Rh2
• Calculated formula: C31 H34 Cl2 N4 O2 P2 Rh2
• SMILES: [Rh]1(Cl)([P](C[P]2([Rh](Cl)([NH](c3c2cccc3)C)C#[O])c2c(NC)cccc2)(c2c([NH]1C)cccc2)c1c(NC)cccc1)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: 11.627 ± 0.0008 Å
• b: 18.1593 ± 0.0012 Å
• c: 17.4024 ± 0.0012 Å
• α: 90°
• β: 104.643 ± 0.0011°
• γ: 90°
• Cell volume: 3555 ± 0.4 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: 0.0504
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No