Information card for entry 7131308

Structure parameters

• Formula: C14 H17 N O6 S4
• Calculated formula: C14 H17 N O6 S4
• Title of publication: An organic superconductor, (TEA)(HEDO-TTF-dc)₂·2(H₂C₂O₄), coupled with strong hydrogen-bonding interactions.
• Authors of publication: Morimachi, Yuto; Urai, Mizuki; Nakajima, Ryota; Kamebuchi, Hajime; Miyagawa, Kazuya; Kanoda, Kazushi; Zhou, Biao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 28
• Pages of publication: 4162 - 4165
• a: 6.8601 ± 0.0002 Å
• b: 13.4801 ± 0.0004 Å
• c: 19.2445 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1779.63 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No