Information card for entry 4068385

Structure parameters

• Formula: C36 H47 N7 P3 Rh
• Calculated formula: C36 H47 N7 P3 Rh
• SMILES: [Rh]12(c3c(C[P]1(n1cccc1)n1cccc1)cccc3C[P]2(n1cccc1)n1cccc1)[P](N1CCCC1)(N1CCCC1)N1CCCC1
• 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: 16.7698 ± 0.0002 Å
• b: 12.2296 ± 0.0003 Å
• c: 18.4779 ± 0.0003 Å
• α: 90°
• β: 112.219 ± 0.0011°
• γ: 90°
• Cell volume: 3508.2 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0742
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No