Information card for entry 4128321

Structure parameters

• Formula: C31 H31 N2 O5 Zn
• Calculated formula: C31 H28 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: 8.4884 ± 0.0002 Å
• b: 11.785 ± 0.0003 Å
• c: 14.7536 ± 0.0003 Å
• α: 76.227 ± 0.002°
• β: 76.572 ± 0.002°
• γ: 83.831 ± 0.002°
• Cell volume: 1392.14 ± 0.06 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0505
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No