Information card for entry 4115789

Structure parameters

• Chemical name: Poly{tris[tetrakis(μ-trifluoroacetato-κO,κO')dirhodium(II,II)- (μ4-η2(1,2):η2(3,4):η2(7,8):η2(9,10)-chrysene)}
• Formula: C42 H12 F36 O24 Rh6
• Calculated formula: C42 H12 F36 O24 Rh6
• 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: 9.094 ± 0.005 Å
• b: 12.277 ± 0.003 Å
• c: 14.541 ± 0.004 Å
• α: 77.02 ± 0.02°
• β: 80.82 ± 0.04°
• γ: 79.86 ± 0.03°
• Cell volume: 1545 ± 1 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: 0.0945
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections: 0.1851
• Weighted residual factors for significantly intense reflections: 0.1596
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No