Information card for entry 7204210

Structure parameters

• Formula: C98 H88 O18 Re4 S54
• Calculated formula: C98 H88 O18 Re4 S54
• Title of publication: Interesting transport and magnetic properties in a new family of molecular materials based on the organic donor BET-TTF and the perrhenate anionElectronic supplementary information (ESI) available: overlap modes of the radical cations of 1‒3. See http://www.rsc.org/suppdata/jm/b1/b106070h/
• Authors of publication: Khasanov, Salavat S.; Pérez-Benítez, Aarón; Narymbetov, Bakhyt Zh.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Singleton, John; Klehe, Anne-Katrin; Laukhin, Vladimir N.; Vidal-Gancedo, José; Veciana, Jaume; Canadell, Enric; Rovira, Concepció
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 432
• a: 10.993 ± 0.003 Å
• b: 19.292 ± 0.004 Å
• c: 17.713 ± 0.004 Å
• α: 120.96 ± 0.02°
• β: 89.76 ± 0.03°
• γ: 91.88 ± 0.03°
• Cell volume: 3219.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No