Information card for entry 7037384

Structure parameters

• Formula: C28 H28 Cl4 Cu2 N4 O12
• Calculated formula: C28 H28 Cl4 Cu2 N4 O12
• Title of publication: Interesting copper(ii)-assisted transformations of 2-acetylpyridine and 2-benzoylpyridine.
• Authors of publication: Kitos, Alexandros A.; Efthymiou, Constantinos G.; Manos, Manolis J.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios; Escuer, Albert; Perlepes, Spyros P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1063 - 1077
• a: 10.9015 ± 0.0002 Å
• b: 11.5144 ± 0.0002 Å
• c: 14.4136 ± 0.0003 Å
• α: 90°
• β: 99.328 ± 0.002°
• γ: 90°
• Cell volume: 1785.33 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No