Information card for entry 2225161

Structure parameters

• Chemical name: Aqua[N-phenyl-2-(quinolin-8-yloxy)acetamide]dinitratozinc(II)
• Formula: C17 H16 N4 O9 Zn
• Calculated formula: C17 H16 N4 O9 Zn
• SMILES: [Zn]12([O](c3cccc4ccc[n]2c34)CC(=[O]1)Nc1ccccc1)(ON(=O)=O)(ON(=O)=O)[OH2]
• Title of publication: Aqua[<i>N</i>-phenyl-2-(quinolin-8-yloxy)acetamide]dinitratozinc(II)
• Authors of publication: Wu, Wei-Na; Wang, Yuan; Zhang, Ai-Yun; Zhao, Rui-Qi; Wang, Qiu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m288
• a: 7.998 ± 0.0014 Å
• b: 9.5109 ± 0.0016 Å
• c: 13.359 ± 0.002 Å
• α: 94.876 ± 0.002°
• β: 96.496 ± 0.002°
• γ: 106.031 ± 0.002°
• Cell volume: 963.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes