Information card for entry 4101330

Structure parameters

• Formula: C28.5 H31.5 Dy Fe N14.5 O26
• Calculated formula: C28 H28 Dy Fe N14.93 O26
• Title of publication: A binuclear Fe(III)Dy(III) single molecule magnet. Quantum effects and models.
• Authors of publication: Ferbinteanu, Marilena; Kajiwara, Takashi; Choi, Kwang-Yong; Nojiri, Hiroyuki; Nakamoto, Akio; Kojima, Norimichi; Cimpoesu, Fanica; Fujimura, Yuichi; Takaishi, Shinya; Yamashita, Masahiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 28
• Pages of publication: 9008 - 9009
• a: 11.115 ± 0.004 Å
• b: 13.567 ± 0.005 Å
• c: 15.758 ± 0.005 Å
• α: 103.462 ± 0.007°
• β: 92.753 ± 0.007°
• γ: 109.525 ± 0.006°
• Cell volume: 2157.4 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0603
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No