Information card for entry 1540665

Structure parameters

• Formula: C22 H20 N4 O4 Zn
• Calculated formula: C22 H20 N4 O4 Zn
• Title of publication: Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation
• Authors of publication: Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 1600
• a: 18.6866 ± 0.0013 Å
• b: 15.8553 ± 0.0012 Å
• c: 22.302 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6607.7 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2215
• Residual factor for significantly intense reflections: 0.1201
• Weighted residual factors for significantly intense reflections: 0.3174
• Weighted residual factors for all reflections included in the refinement: 0.3491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No