Information card for entry 7239981

Structure parameters

• Formula: C34 H26 N4 O12 Zn
• Calculated formula: C34 H26 N4 O12 Zn
• Title of publication: Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture
• Authors of publication: Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 13.1613 ± 0.0002 Å
• b: 8.5565 ± 0.00014 Å
• c: 27.639 ± 0.0005 Å
• α: 90°
• β: 94.8776 ± 0.0014°
• γ: 90°
• Cell volume: 3101.28 ± 0.09 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No