Information card for entry 4109731

Structure parameters

• Formula: C42 H36 Cl Mn3 N6 O14
• Calculated formula: C42 H36 Cl Mn3 N6 O14
• Title of publication: "Switching On" the Properties of Single-Molecule Magnetism in Triangular Manganese(III) Complexes
• Authors of publication: Theocharis C. Stamatatos; Dolos Foguet-Albiol; Sheng-Chiang Lee; Constantinos C. Stoumpos; Catherine P. Raptopoulou; Aris Terzis; Wolfgang Wernsdorfer; Stephen O. Hill; Spyros P. Perlepes; George Christou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 9484 - 9499
• a: 19.7 ± 0.009 Å
• b: 10.746 ± 0.005 Å
• c: 28.614 ± 0.014 Å
• α: 90°
• β: 107.53 ± 0.02°
• γ: 90°
• Cell volume: 5776 ± 5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0722
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No