Information card for entry 7037399

Structure parameters

• Formula: C82 H87 Fe4 N15 O42 Y2
• Calculated formula: C82 H87 Fe4 N15 O42 Y2
• 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: 31.177 ± 0.004 Å
• b: 15.66 ± 0.002 Å
• c: 20.673 ± 0.003 Å
• α: 90°
• β: 95.539 ± 0.002°
• γ: 90°
• Cell volume: 10046 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No