Information card for entry 8102635

Structure parameters

• Formula: C18 H24 Cu2 N8 O8
• Calculated formula: C18 H24 Cu2 N8 O8
• Title of publication: Crystal structure of aqua-[k3N1:N2:N4-3-(pyridin-2-yl)-1,2,4-triazole]-acetatocopper(II) hydrate, Cu(H2O)(C7H5N4)(CH3CO2) · H2O
• Authors of publication: Wei Li; Junjun Zhang; Changhong Li; Yingqun Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 181
• a: 6.7768 ± 0.0014 Å
• b: 7.7552 ± 0.0016 Å
• c: 11.863 ± 0.002 Å
• α: 72.46 ± 0.03°
• β: 86.76 ± 0.03°
• γ: 76.52 ± 0.03°
• Cell volume: 578 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0346
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No