Information card for entry 7037388

Structure parameters

• Formula: C30 H34 Cu2 N4 O11
• Calculated formula: C30 H34 Cu2 N4 O11
• SMILES: [Cu]12([n]3c(cccc3)[C@](c3ccccc3)([O]1[Cu]1([n]3c(cccc3)[C@@](c3ccccc3)([O]21)OCC)(ON(=O)=O)[OH]CC)OCC)ON(=O)=O
• 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: 10.8067 ± 0.0001 Å
• b: 17.0394 ± 0.0003 Å
• c: 17.1831 ± 0.0002 Å
• α: 90°
• β: 90.295 ± 0.001°
• γ: 90°
• Cell volume: 3164.05 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No