Information card for entry 7118085

Structure parameters

• Formula: C128 H104 N17 O7 Pd2
• Calculated formula: C128 H104 N17 O7 Pd2
• Title of publication: A self-assembled Pd2L4 cage that selectively encapsulates nitrate
• Authors of publication: Li-Peng Zhou; Qing-Fu Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 16767
• a: 13.798 ± 0.0014 Å
• b: 32.546 ± 0.004 Å
• c: 13.7267 ± 0.0016 Å
• α: 90°
• β: 100.33 ± 0.01°
• γ: 90°
• Cell volume: 6064.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1473
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.2797
• Weighted residual factors for all reflections included in the refinement: 0.3275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No