Information card for entry 4342832

Structure parameters

• Formula: C38 H56 Cu4 N4 O23.5
• Calculated formula: C38 H56 Cu4 N4 O23.5
• Title of publication: New Tetracopper(II) Cubane Cores Driven by a Diamino Alcohol: Self-assembly Synthesis, Structural and Topological Features, and Magnetic and Catalytic Oxidation Properties.
• Authors of publication: Dias, Sara S. P.; Kirillova, Marina V.; André, Vânia; Kłak, Julia; Kirillov, Alexander M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5204 - 5212
• a: 12.838 ± 0.006 Å
• b: 13.677 ± 0.004 Å
• c: 15.199 ± 0.003 Å
• α: 85.959 ± 0.005°
• β: 83.915 ± 0.006°
• γ: 69.114 ± 0.004°
• Cell volume: 2477.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No