Information card for entry 7053908

Structure parameters

• Formula: C112 H120 Cu4 N8 O21
• Calculated formula: C112 H120 Cu4 N8 O21
• Title of publication: Structural, magnetic and theoretical calculations of a ferromagnetically coupled tetranuclear copper(ii) square complex
• Authors of publication: Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Costes, Jean-Pierre; . Mota, Antonio J; Ephritikhine, Michel
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 3
• Pages of publication: 1306
• a: 13.2695 ± 0.0008 Å
• b: 26.7073 ± 0.0011 Å
• c: 29.302 ± 0.0017 Å
• α: 90°
• β: 99.835 ± 0.003°
• γ: 90°
• Cell volume: 10231.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1361
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No