Information card for entry 4110806

Structure parameters

• Formula: C23.5 H37.5 Cl F6 O0.25 P Rh
• Calculated formula: C22 H34 F6 P Rh
• SMILES: [Rh]1234567([cH]8[cH]1[cH]2[cH]3[cH]4[cH]58)([CH]1=[CH]6CCCCCC1)[CH]1=[CH]7CCCCCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: d8 Rhodium and Iridium Complexes of Corannulene
• Authors of publication: Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 10644 - 10645
• a: 9.8754 ± 0.0001 Å
• b: 18.5374 ± 0.0003 Å
• c: 14.7211 ± 0.0002 Å
• α: 90°
• β: 101.346 ± 0.001°
• γ: 90°
• Cell volume: 2642.24 ± 0.06 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 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: 0.0554
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No