Information card for entry 2217884

Structure parameters

• Chemical name: Hexaaquazinc(II) dipicrate
• Formula: C12 H16 N6 O20 Zn
• Calculated formula: C12 H16 N6 O20 Zn
• SMILES: c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.[OH2][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: Hexaaquazinc(II) dipicrate
• Authors of publication: Natarajan, S.; Vijitha, K. V.; Dhas, S. A. Martin Britto; Suresh, J.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m581
• a: 7.8571 ± 0.0004 Å
• b: 8.3311 ± 0.0006 Å
• c: 8.9897 ± 0.0007 Å
• α: 89.835 ± 0.0011°
• β: 83.097 ± 0.001°
• γ: 72.837 ± 0.0009°
• Cell volume: 557.84 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0318
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes