Information card for entry 7005340

Structure parameters

• Formula: C128 H126 B2 Cl2 Cu6 N22 O14
• Calculated formula: C126 H118 B2 Cl2 Cu6 N22 O12
• 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: 39.904 ± 0.005 Å
• b: 16.2272 ± 0.0019 Å
• c: 20.398 ± 0.002 Å
• α: 90°
• β: 105.941 ± 0.002°
• γ: 90°
• Cell volume: 12700 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No