Information card for entry 4334229

Structure parameters

• Formula: C60 H42 N12 O6 Os0 Re6 S36 Se8
• Calculated formula: C60 H42 N12 O6 Re6 S36 Se8
• Title of publication: Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]
• Authors of publication: Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3326 - 3333
• a: 15.017 ± 0.0009 Å
• b: 15.017 ± 0.0005 Å
• c: 15.017 ± 0.0014 Å
• α: 61.366 ± 0.006°
• β: 61.366 ± 0.006°
• γ: 61.366 ± 0.005°
• Cell volume: 2468.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No