Information card for entry 4128324

Structure parameters

• Formula: C32 H36 N2 O5 Zn
• Calculated formula: C31.266 H29.88 N2 O5 Zn
• Title of publication: Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.
• Authors of publication: Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 40
• Pages of publication: 15742 - 15746
• a: 8.5536 ± 0.0007 Å
• b: 12.1855 ± 0.0011 Å
• c: 15.0843 ± 0.0013 Å
• α: 67.442 ± 0.008°
• β: 74.816 ± 0.007°
• γ: 87.306 ± 0.007°
• Cell volume: 1398.7 ± 0.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.1066
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2426
• Weighted residual factors for all reflections included in the refinement: 0.2587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No