Information card for entry 4128322

Structure parameters

• Formula: C30 H28 N2 O5 Zn
• Calculated formula: C29.985 H25.639 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: 8.8203 ± 0.0004 Å
• b: 11.0081 ± 0.0006 Å
• c: 14.1769 ± 0.0006 Å
• α: 78.272 ± 0.004°
• β: 79.655 ± 0.004°
• γ: 80.661 ± 0.004°
• Cell volume: 1314.51 ± 0.11 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: 0.0721
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No