Information card for entry 7234074

Structure parameters

• Common name: bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate
• Chemical name: bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate
• Formula: C22 H18 Ag N2 O S16
• Calculated formula: C22 H16 Ag N2 O S16
• Title of publication: Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator
• Authors of publication: Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 1378 - 1388
• a: 16.0579 ± 0.0012 Å
• b: 8.6445 ± 0.0006 Å
• c: 12.5766 ± 0.0009 Å
• α: 90°
• β: 109.254 ± 0.001°
• γ: 90°
• Cell volume: 1648.1 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No