Information card for entry 4306349

Structure parameters

• Formula: C19 H16 Cu2 N8 O4
• Calculated formula: C19 H16 Cu2 N8 O4
• Title of publication: Di-2-pyridyl Ketone/Benzoate/Azide Combination as a Source of Copper(II) Clusters and Coordination Polymers: Dependence of the Product Identity on the Solvent
• Authors of publication: Theocharis C. Stamatatos; Vassilis Tangoulis; Catherine P. Raptopoulou; Aris Terzis; Giannis S. Papaefstathiou; Spyros P. Perlepes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7969 - 7971
• a: 12.994 ± 0.006 Å
• b: 8.63 ± 0.004 Å
• c: 19.302 ± 0.009 Å
• α: 90°
• β: 102.13 ± 0.03°
• γ: 90°
• Cell volume: 2116.2 ± 1.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No