Information card for entry 4110278

Structure parameters

• Formula: C36 H145 Cl16 Cu12 Gd7 N18 O142
• Calculated formula: C36 H74 Cl16 Cu12 Gd7 N18 O142.002
• Title of publication: A Fan-Shaped Polynuclear Gd6Cu12 Amino Acid Cluster: A "Hollow" and Ferromagnetic [Gd6(μ3-OH)8] Octahedral Core Encapsulated by Six [Cu2] Glycinato Blade Fragments
• Authors of publication: Shengchang Xiang; Shengmin Hu; Tianlu Sheng; Ruibiao Fu; Xintao Wu; Xudong Zhang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 15144 - 15146
• a: 17.64 ± 0.002 Å
• b: 17.64 ± 0.002 Å
• c: 45.187 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12177 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No