Information card for entry 4307272

Structure parameters

• Formula: C221 H150 F27 Gd7 N46 O51 S9
• Calculated formula: C218.07 H120 F15 Gd7 N46.05 O45.02 S8.97
• Title of publication: Selective Self-Assembly of Hexameric Homo- and Heteropolymetallic Lanthanide Wheels: Synthesis, Structure, and Photophysical Studies
• Authors of publication: Xiao-Yan Chen; Yann Bretonnière; Jacques Pécaut; Daniel Imbert; Jean-Claude Bünzli; Marinella Mazzanti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 625 - 637
• a: 22.9958 ± 0.0007 Å
• b: 22.9958 ± 0.0007 Å
• c: 31.3192 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14342.9 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.222
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.2535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No