Information card for entry 4306978

Structure parameters

• Chemical name: catena-tetrakis(N,N'-pyrimidin-2-olate)-biscopper(ii)-potassium nitrate- -hydrate-methanol solvate
• Formula: C8.5 H9 Cu K0.5 N4.5 O4.5
• Calculated formula: C8.5 H6 Cu K0.5 N4.5 O4.5
• Title of publication: Structural and Magnetic Properties of Layered Copper(II) Coordination Polymers Intercalating s and f Metal Ions
• Authors of publication: Jorge A. R. Navarro; Elisa Barea; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2988 - 2997
• a: 10.177 ± 0.007 Å
• b: 11.416 ± 0.012 Å
• c: 11.033 ± 0.003 Å
• α: 90°
• β: 110.72 ± 0.05°
• γ: 90°
• Cell volume: 1198.9 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No