Information card for entry 7005341

Structure parameters

• Formula: C79 H68 Cl3 Cu5 N21 O23
• Calculated formula: C79 H64 Cl3 Cu5 N21 O21
• Title of publication: Di-2-pyridyl ketone oxime in copper chemistry: di-, tri-, penta- and hexanuclear complexes.
• Authors of publication: Afrati, Tereza; Zaleski, Curtis M.; Dendrinou-Samara, Catherine; Mezei, Gellert; Kampf, Jeff W.; Pecoraro, Vincent L.; Kessissoglou, Dimitris P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 25
• Pages of publication: 2658 - 2668
• a: 17.0171 ± 0.0015 Å
• b: 17.4816 ± 0.0016 Å
• c: 18.7802 ± 0.0018 Å
• α: 67.822 ± 0.005°
• β: 63.093 ± 0.005°
• γ: 62.629 ± 0.005°
• Cell volume: 4321.8 ± 0.7 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No