Information card for entry 7118726

Structure parameters

• Formula: C22 N9 Na O5
• Calculated formula: C22 N9 Na O5
• SMILES: c12nc(nc3[c-]2c(nc(n1)c1ccncc1)nc(c1ccncc1)n3)c1ccncc1.O.O.O.O.[Na+].O
• 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: 32.313 ± 0.003 Å
• b: 19.769 ± 0.002 Å
• c: 3.7343 ± 0.0003 Å
• α: 90°
• β: 98.59 ± 0.01°
• γ: 90°
• Cell volume: 2358.7 ± 0.4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.04361
• RFsqd: 0.03995
• Residual factor R(I) for significantly intense reflections: 0.05395
• Goodness-of-fit parameter for all reflections: 1.277
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.3 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No