Information card for entry 4110811

Structure parameters

• Formula: C38 H47 Cl2 F6 P2 Rh
• Calculated formula: C38 H47 Cl2 F6 P2 Rh
• SMILES: [Rh]123456([P](C(C)C)(C(C)C)C(C)C)([c]78[c]92[cH]3[cH]4[c]25ccc3c([c]172)c1c8c(ccc1cc3)cc9)[CH]1=[CH]6CCCCCC1.[P](F)(F)(F)(F)(F)[F-].ClCCl
• 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: 12.815 ± 0.0002 Å
• b: 24.0057 ± 0.0003 Å
• c: 13.1883 ± 0.0001 Å
• α: 90°
• β: 112.767 ± 0.0007°
• γ: 90°
• Cell volume: 3741.04 ± 0.08 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 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: 0.0762
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No