Information card for entry 1548776

Structure parameters

• Formula: C17 H13 N5 O2 Zn
• Calculated formula: C17 H13 N5 O2 Zn
• Title of publication: A 3D supramolecular network as highly selective and sensitive luminescent sensor for PO43- and Cu2+ ions in aqueous media
• Authors of publication: Shaowei Zhang; Yong Zhang; Shigang Ning; Ruiren Tang; Zilong Tang; Yuan Xie
• Journal of publication: Dyes and Pigments
• Year of publication: 2018
• Journal volume: 150
• Pages of publication: 36 - 43
• a: 9.4366 ± 0.0001 Å
• b: 10.2859 ± 0.0001 Å
• c: 17.2936 ± 0.0002 Å
• α: 90°
• β: 93.2219 ± 0.0004°
• γ: 90°
• Cell volume: 1675.93 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No