Information card for entry 7104317

Structure parameters

• Formula: C76 H102 Mn6 N6 O26
• Calculated formula: C72 H90 Mn6 N6 O24
• Title of publication: 1D chains of Mn6 single-molecule magnets.
• Authors of publication: Jones, Leigh F; Prescimone, Alessandro; Evangelisti, Marco; Brechin, Euan K
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 2023 - 2025
• a: 22.1494 ± 0.0009 Å
• b: 13.0217 ± 0.0005 Å
• c: 29.4283 ± 0.0012 Å
• α: 90°
• β: 90.515 ± 0.003°
• γ: 90°
• Cell volume: 8487.5 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections: 0.1741
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9661
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No