Information card for entry 4115218

Structure parameters

• Common name: bis-ethylene-dithiotetrathiafulvalene nitrobenzene gallium salt
• Chemical name: bis-ethylene-dithiotetrathiafulvalene nitrobenzene gallium salt
• Formula: C52 H40 Ga N O15 S32
• Calculated formula: C52 H40 Ga N O15 S32
• Title of publication: Effect of Included Guest Molecules on the Normal State Conductivity and Superconductivity of β''-(ET)4[(H3O)Ga(C2O4)3].G (G = Pyridine, Nitrobenzene)
• Authors of publication: Hiroki Akutsu; Akane Akutsu-Sato; Scott S. Turner; Delphine Le Pevelen; Peter Day; Vladimir Laukhin; Anne-Katrin Klehe; John Singleton; Derek A. Tocher; Michael R. Probert; Judith A. K. Howard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 12430 - 12431
• a: 10.3547 ± 0.0004 Å
• b: 20.1508 ± 0.0007 Å
• c: 35.5424 ± 0.0012 Å
• α: 90°
• β: 92.571 ± 0.001°
• γ: 90°
• Cell volume: 7408.7 ± 0.5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• 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: 0.1488
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No