Information card for entry 7204163

Structure parameters

• Common name: DSDTeF-TCNQ
• Formula: C18 H8 N4 Se2 Te2
• Calculated formula: C18 H8 N4 Se2 Te2
• SMILES: C1([Te]C=C[Se]1)=C1[Te]C=C[Se]1.C1C(C=CC(C=1)=C(C#N)C#N)=C(C#N)C#N
• 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: 7.271 ± 0.003 Å
• b: 16.735 ± 0.009 Å
• c: 3.876 ± 0.002 Å
• α: 96.38 ± 0.05°
• β: 98.17 ± 0.04°
• γ: 87.04 ± 0.04°
• Cell volume: 463.6 ± 0.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 4.118
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No