Information card for entry 7001352

Structure parameters

• Formula: C39 H48 N4 O7 P2 Rh2
• Calculated formula: C39 H48 N4 O7 P2 Rh2
• SMILES: [Rh]1([P](C[P]([Rh]2(OC(=O)C)C#[O])(c3c([NH]2C)cccc3)c2c(NC)cccc2)(c2c([NH]1C)cccc2)c1c(NC)cccc1)(OC(=O)C)C#[O].O1CCCC1
• 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: 11.2965 ± 0.0005 Å
• b: 25.9075 ± 0.0011 Å
• c: 14.7517 ± 0.0006 Å
• α: 90°
• β: 108.584 ± 0.001°
• γ: 90°
• Cell volume: 4092.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0251
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No