Information card for entry 4115801

Structure parameters

• Chemical name: Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(5,6):η2(11,12)-chrysene)}
• Formula: C26 H12 F12 O8 Rh2
• Calculated formula: C26 H12 F11.952 O8 Rh2
• Title of publication: Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right
• Authors of publication: F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11655 - 11663
• a: 8.578 ± 0.002 Å
• b: 9.2958 ± 0.0007 Å
• c: 9.404 ± 0.002 Å
• α: 98.62 ± 0.04°
• β: 106.128 ± 0.008°
• γ: 97.91 ± 0.02°
• Cell volume: 699.4 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.1306
• Weighted residual factors for significantly intense reflections: 0.1235
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No