Information card for entry 7242535

Structure parameters

• Chemical name: [Mn3]2ppmd
• Formula: C93 H93 Cl26 Mn6 N15 O28
• Calculated formula: C87 H81 Cl14 Mn6 N15 O27.9998
• Title of publication: Exchange-biased Quantum Tunnelling of Magnetization in a [Mn3]2 Dimer of Single-Molecule Magnets with Rare Ferromagnetic Inter-Mn3 Coupling
• Authors of publication: Christou, George; Wernsdorfer, Wolfgang; Ghosh, Tuhin; Abboud, Khalil A.; Marbey, Jonathan; Hill, Stephen
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2021
• a: 16.7906 ± 0.0007 Å
• b: 16.7906 ± 0.0007 Å
• c: 24.3807 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5952.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No