Information card for entry 7025347

Structure parameters

• Formula: C306 H331 Cu16 N16 O118 P12 Y12
• Calculated formula: C306 H315 Cu16 N16 O118 P12 Y12
• Title of publication: 3d-4f clusters with large spin ground states and SMM behaviour.
• Authors of publication: Baskar, Viswanathan; Gopal, Kandasamy; Helliwell, Madeleine; Tuna, Floriana; Wernsdorfer, Wolfgang; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4747 - 4750
• a: 18.578 ± 0.0009 Å
• b: 19.6247 ± 0.0009 Å
• c: 31.1426 ± 0.0016 Å
• α: 104.918 ± 0.001°
• β: 99.218 ± 0.001°
• γ: 107.586 ± 0.001°
• Cell volume: 10103.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No