Information card for entry 4334236

Structure parameters

• Formula: C15 H7.5 N3 O1.5 Re1.5 S9 Se2
• Calculated formula: C15 H7.5 N3 O1.5 Re1.5 S9 Se2
• 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: 14.3991 ± 0.0009 Å
• b: 14.5069 ± 0.0009 Å
• c: 14.6179 ± 0.0015 Å
• α: 91.603 ± 0.009°
• β: 118.532 ± 0.008°
• γ: 118.826 ± 0.005°
• Cell volume: 2214 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1647
• Residual factor for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections: 0.3704
• Weighted residual factors for significantly intense reflections: 0.353
• Weighted residual factors for all reflections included in the refinement: 0.3704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2285
• Diffraction radiation wavelength: 0.6751 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No