Information card for entry 1508390

Structure parameters

• Common name: CuBT * 2 H~2~O
• Chemical name: Diaqua(μ-5,5'-bistetrazolato-κ^4^N^1^,N^2^,N^5^,N^6^)copper(II)
• Formula: C2 H4 Cu N8 O2
• Calculated formula: C2 H4 Cu N8 O2
• Title of publication: Preparation and Crystal Structure of Diaqua(?-5,5'-bistetrazolato-?4N1,N2,N5,N6)copper(II)
• Authors of publication: Joas, Manuel; Klapοtke, Thomas M.; Stierstorfer, Jοrg
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 958 - 966
• a: 7.4137 ± 0.0013 Å
• b: 7.489 ± 0.0013 Å
• c: 7.5391 ± 0.0014 Å
• α: 118.928 ± 0.019°
• β: 109.295 ± 0.017°
• γ: 92.47 ± 0.014°
• Cell volume: 335.18 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No