Information card for entry 7203844

Structure parameters

• Formula: C10 H10 O2 Se4
• Calculated formula: C10 H10 O2 Se4
• SMILES: [Se]1C(=C([Se]C1=C1[Se]C2=C([Se]1)OCCO2)C)C
• Title of publication: New unsymmetrical donor dimethyl(ethylenedioxy)tetraselenafulvalene (DMEDO-TSeF): Structures and properties of its cation radical salts
• Authors of publication: Shirahata, Takashi; Kibune, Megumi; Imakubo, Tatsuro
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 41
• Pages of publication: 4399
• a: 13.958 ± 0.004 Å
• b: 8.285 ± 0.002 Å
• c: 11.867 ± 0.003 Å
• α: 90°
• β: 109.478 ± 0.006°
• γ: 90°
• Cell volume: 1293.8 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.079
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No