Information card for entry 4340047

Structure parameters

• Formula: C60.5 H71.25 Dy N18 O30.25 Zn8
• Calculated formula: C60.5 H47 Dy N18 O30.25 Zn8
• 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: 24.7224 ± 0.0005 Å
• b: 22.7796 ± 0.0004 Å
• c: 29.467 ± 0.002 Å
• α: 90°
• β: 110.143 ± 0.008°
• γ: 90°
• Cell volume: 15579.8 ± 1.4 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1319
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.2605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No