Information card for entry 7116945

Structure parameters

• Formula: C22 K N9 O8.5
• Calculated formula: C22 K N9 O8.5
• Title of publication: Formation of a nanometer-thick water layer at high humidity on a dynamic crystalline material composed of multi-interactive molecules
• Authors of publication: Yumi Yakiyama; Gil Ryeong Lee; Sung Yeon Kim; Yoshitaka Matsushita; Yasushi Morita; Moon Jeong Park; Masaki Kawano
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 6828
• a: 24.131 ± 0.005 Å
• b: 19.458 ± 0.002 Å
• c: 16.672 ± 0.004 Å
• α: 90°
• β: 122.52 ± 0.02°
• γ: 90°
• Cell volume: 6601 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.10199
• RFsqd: 0.10349
• Residual factor R(I) for significantly intense reflections: 0.06738
• Goodness-of-fit parameter for all reflections: 1.001
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.4639 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No