Information card for entry 7015577

Structure parameters

• Formula: C156 H338 Fe16 Gd4 N34 O104
• Calculated formula: C144 H288 Fe16 Gd4 N24 O80
• Title of publication: Heterometallic 20-membered {Fe16Ln4} (Ln = Sm, Eu, Gd, Tb, Dy, Ho) metallo-ring aggregates.
• Authors of publication: Baniodeh, Amer; Hewitt, Ian J.; Mereacre, Valeriu; Lan, Yanhua; Novitchi, Ghenadie; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4080 - 4086
• a: 27.7908 ± 0.0014 Å
• b: 27.9903 ± 0.0015 Å
• c: 31.269 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24323 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No