Information card for entry 2239750

Structure parameters

• Chemical name: Poly[[(acetato-κ<i>O</i>){μ~3~-<i>N</i>-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ^4^<i>N</i>:<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^4^]copper(II)] dihydrate]
• Formula: C13 H16 Cu N4 O5
• Calculated formula: C13 H16 Cu N4 O5
• Title of publication: Crystal structure of poly[[(acetato-κO){μ3-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ4N:N1,N2:N4]copper(II)] dihydrate]: a metal‒organic framework (MOF)
• Authors of publication: Cati, Dilovan S.; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E Structure Reports Online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: 23
• a: 7.8256 ± 0.0012 Å
• b: 22.331 ± 0.002 Å
• c: 8.9976 ± 0.0013 Å
• α: 90°
• β: 110.04 ± 0.016°
• γ: 90°
• Cell volume: 1477.2 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 0.777
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No