Information card for entry 7122720

Structure parameters

• Formula: C248 H264 N32 O16 Pd8 Zn2
• Calculated formula: C248 H264 N32 O16 Pd8 Zn2
• Title of publication: Size-selective encapsulation of C60 and C60-derivatives within an adaptable naphthalene-based tetragonal prismatic supramolecular nanocapsule
• Authors of publication: García-Simón, Cristina; Monferrer, Alba; Garcia-Borràs, Marc; Imaz, Inhar; Maspoch, Daniel; Costas, Miquel; Ribas, Xavi
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 26.4 ± 0.006 Å
• b: 27.47 ± 0.006 Å
• c: 27.69 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20081 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 55
• Hermann-Mauguin space group symbol: P m c b
• Hall space group symbol: -P 2bc 2
• Residual factor for all reflections: 0.1912
• Residual factor for significantly intense reflections: 0.1135
• Weighted residual factors for significantly intense reflections: 0.3016
• Weighted residual factors for all reflections included in the refinement: 0.3367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.69873 Å
• Diffraction radiation type: synchrotronradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No