Information card for entry 7037386

Structure parameters

• Formula: C51 H46 Cl2 Cu2 N4 O15
• Calculated formula: C51 H45 Cl2 Cu2 N4 O15
• 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: 14.9187 ± 0.0003 Å
• b: 15.1684 ± 0.0004 Å
• c: 23.0231 ± 0.0005 Å
• α: 90°
• β: 90.537 ± 0.002°
• γ: 90°
• Cell volume: 5209.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.2059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No