Information card for entry 4111868

Structure parameters

• Common name: (EDT-TTF-CONH2)6 (RE6Se8(CN)6)
• Formula: C60 H18 N12 O6 Re6 S36 Se8
• Calculated formula: C60 H18 N12 O6 Re6 S36 Se8
• Title of publication: (EDT-TTF-CONH2)6[Re6Se8(CN)6], a Metallic Kagome-Type Organic-Inorganic Hybrid Compound: Electronic Instability, Molecular Motion, and Charge Localization
• Authors of publication: Stéphane A. Baudron; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Vladimir Laukhin; Roberto Melzi; Pawel Wzietek; Denis Jérome; Pascale Auban-Senzier; Sylvain Ravy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 11785 - 11797
• a: 15.0192 ± 0.0017 Å
• b: 15.0192 ± 0.0017 Å
• c: 15.0192 ± 0.0017 Å
• α: 61.465 ± 0.017°
• β: 61.465 ± 0.017°
• γ: 61.465 ± 0.017°
• Cell volume: 2474.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No