Information card for entry 7130284

Structure parameters

• Formula: C18 H12 N6 O4 Zn
• Calculated formula: C18 H12 N6 O4 Zn
• Title of publication: Water vapour induced reversible switching between a 1-D coordination polymer and a 0-D aqua complex
• Authors of publication: Zaworotko, Michael; Deng, Ming; Mukherjee, Soumya; Liang, Yu-Jie; Fang, Xiao-Dan; Zhu, Ai-Xin
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.5102 ± 0.0009 Å
• b: 7.7166 ± 0.0012 Å
• c: 17.682 ± 0.003 Å
• α: 102.09 ± 0.009°
• β: 91.927 ± 0.012°
• γ: 100.163 ± 0.009°
• Cell volume: 852.7 ± 0.2 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 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: 0.1447
• Residual factor for significantly intense reflections: 0.1173
• Weighted residual factors for significantly intense reflections: 0.3007
• Weighted residual factors for all reflections included in the refinement: 0.3149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No