Information card for entry 7118728

Structure parameters

• Formula: C22 H16 N10 O3.75
• Calculated formula: C22 H16 N10 O3.66
• Title of publication: Crystallinity-dependence of ionic conductivity in the ion pairs of a multi-interactive anion.
• Authors of publication: Lee, Gil Ryeong; Ohtsu, Hiroyoshi; Koo, Jinyoung; Yakiyama, Yumi; Park, Moon Jeong; Inoue, Daishi; Hashizume, Daisuke; Kawano, Masaki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 20
• Pages of publication: 3962 - 3965
• a: 39.9667 ± 0.0003 Å
• b: 3.761 Å
• c: 35.3988 ± 0.0004 Å
• α: 90°
• β: 122.88°
• γ: 90°
• Cell volume: 4468.59 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No