Information card for entry 4334823

Structure parameters

• Formula: C26 H28 Cl2 Cu2 N4 O11
• Calculated formula: C26 H26 Cl2 Cu2 N4 O11
• Title of publication: Structural and Magnetic Characterization of a Tetranuclear Copper(II) Cubane Stabilized by Intramolecular Metal Cation-π Interactions
• Authors of publication: Raffaello Papadakis; Eric Rivière; Michel Giorgi; Hélène Jamet; Pierre Rousselot-Pailley; Marius Réglier; A. Jalila Simaan; Thierry Tron
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5824 - 5830
• a: 22.9841 ± 0.0004 Å
• b: 13.3899 ± 0.0002 Å
• c: 23.233 ± 0.0005 Å
• α: 90°
• β: 94.514 ± 0.001°
• γ: 90°
• Cell volume: 7127.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1025
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No