Information card for entry 4114593

Structure parameters

• Formula: C20 H20 F6 O4 P S12
• Calculated formula: C20 H20 F6 O4 P S12
• SMILES: C1SC(=C2SC3=C(S2)S[C@H]2[C@H](OCCO2)S3)SC1.[P](F)(F)(F)(F)(F)[F-].C1CSC(=C2SC3=C(S2)S[C@@H]2[C@@H](OCCO2)S3)S1
• Title of publication: New Organic Superconductors Consisting of an Unprecedented π-Electron Donor
• Authors of publication: Hiroyuki Nishikawa; Takanobu Morimoto; Takeshi Kodama; Isao Ikemoto; Koichi Kikuchi; Jun-ichi Yamada; Harukazu Yoshino; Keizo Murata
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 730 - 731
• a: 5.7808 ± 0.001 Å
• b: 9.2199 ± 0.0016 Å
• c: 15.784 ± 0.003 Å
• α: 101.222 ± 0.003°
• β: 98.469 ± 0.003°
• γ: 107.271 ± 0.003°
• Cell volume: 768.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0425
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No