Information card for entry 2205142

Structure parameters

• Chemical name: Hexaaquazinc(II) bis(perchlorate) 2,5-dimethylpyrazine 1,4-dioxide
• Formula: C12 H28 Cl2 N4 O18 Zn
• Calculated formula: C12 H28 Cl2 N4 O18 Zn
• SMILES: Cc1cn(c(C)cn1=O)=O.Cc1n(cc(C)n(c1)=O)=O.[OH2][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Hexaaquazinc(II) bis(perchlorate) bis(2,5-dimethylpyrazine 1,4-dioxide)
• Authors of publication: Lu, Jian Jun; Shi, Jing Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m327 - m328
• a: 19.7 ± 0.004 Å
• b: 13.097 ± 0.003 Å
• c: 20.021 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5165.6 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes