Information card for entry 7116083

Structure parameters

• Formula: C24 H15 B F4 O8 S8
• Calculated formula: C24 H15 B F4 O8 S8
• Title of publication: Solid-solid phase interconversion in an organic conductor crystal: hydrogen-bond-mediated dynamic changes in pi-stacked molecular arrangement and physical properties
• Authors of publication: Junya Yoshida; Akira Ueda; Akiko Nakao; Reiji Kumai; Hironori Nakao; Youichi Murakami; Hatsumi Mori
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15557
• a: 7.1083 ± 0.0002 Å
• b: 10.939 ± 0.0004 Å
• c: 18.0093 ± 0.0007 Å
• α: 78.1857 ± 0.0008°
• β: 82.3285 ± 0.001°
• γ: 89.7204 ± 0.0011°
• Cell volume: 1358.06 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0371
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No