Information card for entry 7227218

Structure parameters

• Formula: C24 H15 Cl O12 S8
• Calculated formula: C24 H15 Cl O12 S8
• Title of publication: Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition
• Authors of publication: Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 2
• Pages of publication: 367
• a: 7.1809 ± 0.0005 Å
• b: 9.8084 ± 0.0009 Å
• c: 10.8511 ± 0.0011 Å
• α: 66.647 ± 0.002°
• β: 84.88 ± 0.003°
• γ: 78.699 ± 0.003°
• Cell volume: 688.01 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0481
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No