Information card for entry 4324657

Structure parameters

• Common name: [Cu(C7H4N3O)2]
• Formula: C14 H8 Cu N6 O2
• Calculated formula: C14 H8 Cu N6 O2
• SMILES: c12C(C#N)=N(=O)[Cu]3([n]2cccc1)N(=C(c1cccc[n]31)C#N)=O
• Title of publication: Trinuclear, Tetranuclear, and Polymeric CuII Complexes from the First Use of 2-Pyridylcyanoxime in Transition Metal Chemistry: Synthetic, Structural, and Magnetic Studies
• Authors of publication: Albert Escuer; Gina Vlahopoulou; Spyros P. Perlepes; Franz A. Mautner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2468 - 2478
• a: 4.1724 ± 0.0008 Å
• b: 6.9626 ± 0.0014 Å
• c: 11.361 ± 0.002 Å
• α: 91.37 ± 0.012°
• β: 91.03 ± 0.014°
• γ: 100.72 ± 0.011°
• Cell volume: 324.11 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections: 1.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No