Information card for entry 4306350

Structure parameters

• Formula: C81 H71.5 Cu6 N18.5 O18
• Calculated formula: C81 H52 Cu6 N18.5 O18
• 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: 16.289 ± 0.008 Å
• b: 17.295 ± 0.008 Å
• c: 18.125 ± 0.008 Å
• α: 69.87 ± 0.01°
• β: 69.18 ± 0.02°
• γ: 73.48 ± 0.02°
• Cell volume: 4404 ± 4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0711
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No