Information card for entry 7244799

Structure parameters

• Formula: C39.5 H32.5 N9.5 O5.5 Zn
• Calculated formula: C35 H22 N8 O4 Zn
• Title of publication: Supramolecular assemblies of Zn(II) complexes with D-π-A ligand for sensing specific organic molecules
• Authors of publication: huang, ziqing; Chen, Jia-Qi; Zhao, Shu-Man; Qiu, Zhao-Feng; Zhao, Yue; Sun, Wei-Yin
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.2514 ± 0.0017 Å
• b: 12.824 ± 0.002 Å
• c: 16.624 ± 0.003 Å
• α: 68.187 ± 0.006°
• β: 82.616 ± 0.007°
• γ: 80.538 ± 0.006°
• Cell volume: 1801.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0823
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No