Information card for entry 7032479

Structure parameters

• Chemical name: Tetrakis(μ~3~-salicylhydroximato-N,O,O,O',O'')-dichloro- hexakis(dimethylformamide-O)-copper(ii)-tetra-iron(iii) dimethylformamide solvate
• Formula: C52 H72 Cl2 Cu Fe4 N12 O20
• Calculated formula: C52 H72 Cl2 Cu Fe4 N12 O20
• 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: 11.751 ± 0.0005 Å
• b: 12.8013 ± 0.0005 Å
• c: 12.8605 ± 0.0005 Å
• α: 96.926 ± 0.001°
• β: 111.413 ± 0.001°
• γ: 110.276 ± 0.001°
• Cell volume: 1620.39 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No