Information card for entry 7032478

Structure parameters

• Chemical name: bis(Tetraethylammonium) tetrakis(μ~3~-salicylhydroximato-N,O,O,O',O'')-penta-copper(ii)
• Formula: C40 H48 Cu5 N6 O12
• Calculated formula: C40 H48 Cu5 N6 O12
• Title of publication: Enforcement of a high-spin ground state for the first 3d heterometallic 12-metallacrown-4 complex.
• Authors of publication: Happ, Peter; Rentschler, Eva
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15308 - 15312
• a: 9.5697 ± 0.0007 Å
• b: 18.808 ± 0.0013 Å
• c: 11.8032 ± 0.0009 Å
• α: 90°
• β: 107.039 ± 0.002°
• γ: 90°
• Cell volume: 2031.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No