Information card for entry 1557387

Structure parameters

• Formula: C28 H20 N2 O6 Zn
• Calculated formula: C28 H20 N2 O6 Zn
• Title of publication: Disappeared supramolecular isomer reappears with perylene guest
• Authors of publication: Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J.
• Journal of publication: IUCrJ
• Year of publication: 2020
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 324 - 330
• a: 14.2399 ± 0.0005 Å
• b: 7.5126 ± 0.0003 Å
• c: 14.7479 ± 0.0005 Å
• α: 90°
• β: 101.619 ± 0.0019°
• γ: 90°
• Cell volume: 1545.38 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0577
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No