Information card for entry 7102389

Structure parameters

• Common name: Tetrakis(Bis(ethylenedithio)tetrathiafulvalenium) ammonium tris(oxalato) galium phenylacetonitrile solvate
• Chemical name: Tetrakis(Bis(ethylenedithio)tetrathiafulvalenium) ammonium tris(oxalato) galium phenylacetonitrile solvate
• Formula: C54 H43 Ga N2 O12 S32
• Calculated formula: C53.933 H43 Ga N2 O12 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: 9.824 ± 0.0011 Å
• b: 11.196 ± 0.002 Å
• c: 37.882 ± 0.01 Å
• α: 81.469 ± 0.005°
• β: 87.657 ± 0.003°
• γ: 64.362 ± 0.002°
• Cell volume: 3713.6 ± 1.1 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: 0.1377
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1923
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No