Information card for entry 7116746

Structure parameters

• Common name: Decyloxycage
• Chemical name: Cage 2
• Formula: C150.55 H187.34 Cu4 N5.82 O34.04
• Calculated formula: C150.546 H187.34 Cu4 N5.824 O34.036
• Title of publication: Multi-responsive metal-organic lantern cages in solution
• Authors of publication: Valentina Brega; Matthias Zeller; Yufan He; H. Peter Lu; Jeremy K. Klosterman
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5077
• a: 18.2648 ± 0.0011 Å
• b: 27.0741 ± 0.0017 Å
• c: 16.6959 ± 0.0009 Å
• α: 90°
• β: 110.078 ± 0.002°
• γ: 90°
• Cell volume: 7754.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No