Information card for entry 7116748

Structure parameters

• Common name: MeOCage
• Chemical name: Cage1
• Formula: C108 H84 Cu4 N4 O24.61 S4
• Calculated formula: C108 H84 Cu4 N4 O24.564 S4
• 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: 14.935 ± 0.005 Å
• b: 16.106 ± 0.006 Å
• c: 16.995 ± 0.006 Å
• α: 105.989 ± 0.004°
• β: 109.453 ± 0.004°
• γ: 104.285 ± 0.005°
• Cell volume: 3437 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2073
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No