Information card for entry 7102390

Structure parameters

• Common name: Tetrakis(Bis(ethylenedithio)tetrathiafulvalenium) ammonium tris(oxalato) iron acetophenone solvate
• Chemical name: Tetrakis(Bis(ethylenedithio)tetrathiafulvalenium) ammonium tris(oxalato) iron acetophenone solvate
• Formula: C54 H44 Fe N O13 S32
• Calculated formula: C54.04 H44.08 Fe N O13 S32
• Title of publication: Superstructures of donor packing arrangements in a series of molecular charge transfer salts.
• Authors of publication: Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J H; Yamada, Jun-ichi; Nakatsuji, Shin'ichi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 1
• Pages of publication: 18 - 19
• a: 10.132 ± 0.002 Å
• b: 11.261 ± 0.001 Å
• c: 36.651 ± 0.004 Å
• α: 82.957 ± 0.006°
• β: 86.413 ± 0.003°
• γ: 63.477 ± 0.0012°
• Cell volume: 3713.3 ± 0.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2138
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1524
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No