Information card for entry 4307271

Structure parameters

• Formula: C211 H135 F27 N41 Nd7 O51 S9
• Calculated formula: C210.96 H120 F19.95 N40.98 Nd7 O43.97 S8.98
• 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: 22.417 ± 0.003 Å
• b: 22.417 ± 0.003 Å
• c: 30.021 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13065 ± 4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1388
• Residual factor for significantly intense reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.2751
• Weighted residual factors for all reflections included in the refinement: 0.2822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.403
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No