Information card for entry 7019332

Structure parameters

• Formula: C111 H195 B3 F12 Fe6 N12 O33
• Calculated formula: C102 H169 B2.66667 F10.6667 Fe6 N12 O24
• Title of publication: Linking [M(III)(3)] triangles with "double-headed" phenolic oximes.
• Authors of publication: Mason, Kevin; Chang, John; Prescimone, Alessandro; Garlatti, Elena; Carretta, Stefano; Tasker, Peter A.; Brechin, Euan K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 29
• Pages of publication: 8777 - 8785
• a: 26.5317 ± 0.0004 Å
• b: 26.5317 ± 0.0004 Å
• c: 101.306 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 61758.4 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1564
• Residual factor for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections: 0.192
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0511
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No