Information card for entry 4305166

Structure parameters

• Formula: C181 H182.5 Cl2 N27.5 Nd4 O27
• Calculated formula: C181 H182.5 Cl2 N27.5 Nd4 O27
• Title of publication: Enantiopure, Supramolecular Helices Containing Three-Dimensional Tetranuclear Lanthanide(III) Arrays: Synthesis, Structure, Properties, and Solvent-Driven Trinuclear/Tetranuclear Interconversion
• Authors of publication: Marco Lama; Olimpia Mamula; Gregg S. Kottas; Luisa De Cola; Helen Stoeckli-Evans; Sergiu Shova
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8000 - 8015
• a: 16.647 ± 0.002 Å
• b: 27.723 ± 0.003 Å
• c: 18.681 ± 0.002 Å
• α: 90°
• β: 90.837 ± 0.01°
• γ: 90°
• Cell volume: 8620.5 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No