Information card for entry 7210409

Structure parameters

• Formula: C52 H37.57 Br K0.81 O12.19 Ru S32
• Calculated formula: C52 H37 Br K0.81 O12.19 Ru S32
• Title of publication: The first molecular superconductor based on BEDT-TTF radical cation salt with paramagnetic tris(oxalato)ruthenate anion
• Authors of publication: Prokhorova, Tatiana G.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zverev, Vladimir N.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 35
• Pages of publication: 7048
• a: 10.2882 ± 0.0005 Å
• b: 19.9728 ± 0.0011 Å
• c: 35.485 ± 0.002 Å
• α: 90°
• β: 93.483 ± 0.005°
• γ: 90°
• Cell volume: 7278.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No