Information card for entry 7204162

Structure parameters

• Common name: TSTeF-TCNQ
• Formula: C18 H8 N4 Se4
• Calculated formula: C18 H8 N4 Se4.54
• Title of publication: Novel tellurium containing fulvalene-type electron donors, triselenatellurafulvalene (TSTeF) and diselenaditellurafulvalene (DSDTeF); synthesis, conductivities and crystal structures of their TCNQ complexes
• Authors of publication: Morikami, Atsushi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2431
• a: 12.633 ± 0.003 Å
• b: 3.901 ± 0.003 Å
• c: 18.557 ± 0.002 Å
• α: 90°
• β: 104.24 ± 0.01°
• γ: 90°
• Cell volume: 886.4 ± 0.7 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0215
• Weighted residual factors for all reflections included in the refinement: 0.0215
• Goodness-of-fit parameter for all reflections included in the refinement: 2.881
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No