Information card for entry 7244797

Structure parameters

• Formula: C49.5 H46 N14 O9.5 Zn
• Calculated formula: C46 H32 N14 O6 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: 8.7701 ± 0.0005 Å
• b: 14.3922 ± 0.0008 Å
• c: 18.8489 ± 0.001 Å
• α: 78.414 ± 0.003°
• β: 79.587 ± 0.003°
• γ: 72.876 ± 0.003°
• Cell volume: 2208.5 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 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: 0.0781
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No