Information card for entry 7037400

Structure parameters

• Formula: C94 H100 Dy3 Fe6 N17 O50
• Calculated formula: C94 H100 Dy3 Fe6 N17 O50
• Title of publication: A single molecule magnet to single molecule magnet transformation via a solvothermal process: Fe4Dy2 → Fe6Dy3.
• Authors of publication: Chen, Sihuai; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 98 - 106
• a: 13.8939 ± 0.0009 Å
• b: 16.7523 ± 0.0012 Å
• c: 24.8472 ± 0.0016 Å
• α: 81.772 ± 0.005°
• β: 83.121 ± 0.005°
• γ: 85.507 ± 0.005°
• Cell volume: 5671.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No