Information card for entry 2213882

Structure parameters

• Chemical name: Diaquabis[5-(pyrazin-2-yl)-5H-tetrazolato-κ^2^N,N']copper(II) monohydrate
• Formula: C10 H12 Cu N12 O3
• Calculated formula: C10 H12 Cu N12 O3
• Title of publication: Diaquabis[5-(pyrazin-2-yl)-5<i>H</i>-tetrazolato-κ^2^<i>N</i>,<i>N</i>']copper(II) monohydrate
• Authors of publication: Liu, Ju-Tao; Fan, Sheng-Di; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1651 - m1651
• a: 13.045 ± 0.002 Å
• b: 7.341 ± 0.001 Å
• c: 16.869 ± 0.002 Å
• α: 90°
• β: 101.757 ± 0.002°
• γ: 90°
• Cell volume: 1581.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes