Information card for entry 7017139

Structure parameters

• Formula: C108.38 H111 Er4 O28
• Calculated formula: C108.03 H106 Er4 O28
• Title of publication: Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.
• Authors of publication: Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12169 - 12179
• a: 15.585 ± 0.005 Å
• b: 17.398 ± 0.004 Å
• c: 23.61 ± 0.005 Å
• α: 82.956 ± 0.005°
• β: 76.19 ± 0.016°
• γ: 86.901 ± 0.024°
• Cell volume: 6168 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.236
• Weighted residual factors for all reflections included in the refinement: 0.2486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.77487 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No