Information card for entry 7210410

Structure parameters

• Formula: C53 H37.93 K0.69 N O12.31 Ru S32
• Calculated formula: C53 H37 K0.69 N O12.31 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: 10.3683 ± 0.0004 Å
• b: 19.6056 ± 0.0009 Å
• c: 36.0834 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7334.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No