Information card for entry 4340046

Structure parameters

• Formula: C37.5 H45 Dy0.5 N9.5 O13.5 Zn2
• Calculated formula: C37.5 H42 Dy0.5 N9.25 O12.75 Zn2
• Title of publication: Solvent dependent assembly of lanthanide metallacrowns using building blocks with incompatible symmetry preferences.
• Authors of publication: Jankolovits, Joseph; Kampf, Jeff W.; Pecoraro, Vincent L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7534 - 7546
• a: 19.5887 ± 0.0005 Å
• b: 22.7717 ± 0.0016 Å
• c: 10.1759 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4539.1 ± 0.4 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No