Information card for entry 4068387

Structure parameters

• Formula: C31 H41 I N4 P3 Rh
• Calculated formula: C31 H41 I N4 P3 Rh
• SMILES: [Rh]12(c3c(C[P]2(n2cccc2)n2cccc2)cccc3C[P]1(n1cccc1)n1cccc1)(I)(C)[P](CC)(CC)CC
• 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: 16.2351 ± 0.0002 Å
• b: 10.6516 ± 0.0004 Å
• c: 19.0486 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3294.07 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No