Information card for entry 7027520

Structure parameters

• Formula: C20 H54 Cl4 Cu4 N8 O21
• Calculated formula: C20 H52 Cl4 Cu4 N8 O21
• Title of publication: Crystal structure and ferromagnetic behaviour of a novel tetranuclear copper(II) complex with an open cubane-like Cu4O4 framework
• Authors of publication: Tan, Xiang Shi; Fujii, Yuki; Nukada, Ryoji; Mikuriya, Masahiro; Nakano, Yoshiharu
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2415
• a: 19.458 ± 0.005 Å
• b: 11.518 ± 0.003 Å
• c: 19.846 ± 0.004 Å
• α: 90°
• β: 109.15 ± 0.01°
• γ: 90°
• Cell volume: 4201.7 ± 1.8 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 2.681
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No