Information card for entry 7131307

Structure parameters

• Formula: C16 H17 N0.5 O10 S4
• Calculated formula: C16 H17 N0.5 O10 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: 22.5852 ± 0.0005 Å
• b: 12.2019 ± 0.0003 Å
• c: 7.3075 ± 0.0002 Å
• α: 90°
• β: 99.15 ± 0.002°
• γ: 90°
• Cell volume: 1988.19 ± 0.09 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• 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: 0.037
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No