Information card for entry 4068386

Structure parameters

• Formula: C25 H23 N4 O P2 Rh
• Calculated formula: C25 H23 N4 O P2 Rh
• SMILES: [Rh]12([P](n3cccc3)(n3cccc3)Cc3c2c(ccc3)C[P]1(n1cccc1)n1cccc1)C#[O]
• Title of publication: Structure and Reactivity of Rhodium(I) Complexes Based on Electron-Withdrawing Pyrrolyl-PCP-Pincer Ligands
• Authors of publication: Kossoy, Elizaveta; Rybtchinski, Boris; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Milstein, David
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 523
• a: 9.385 ± 0.0019 Å
• b: 10.736 ± 0.002 Å
• c: 12.812 ± 0.003 Å
• α: 107.29 ± 0.03°
• β: 106.06 ± 0.03°
• γ: 99.08 ± 0.03°
• Cell volume: 1143.2 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No