Information card for entry 4106468

Structure parameters

• Formula: C236 H192.5 N12 O37 Pd2
• Calculated formula: C236 H192.5 N12 O37 Pd2
• Title of publication: An M2L4 Molecular Capsule with an Anthracene Shell: Encapsulation of Large Guests up to 1 nm
• Authors of publication: Norifumi Kishi; Zhiou Li; Kenji Yoza; Munetaka Akita; Michito Yoshizawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 11438 - 11441
• a: 33.515 ± 0.005 Å
• b: 18.955 ± 0.003 Å
• c: 30.323 ± 0.005 Å
• α: 90°
• β: 92.511 ± 0.002°
• γ: 90°
• Cell volume: 19245 ± 5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.1732
• Residual factor for significantly intense reflections: 0.1042
• Weighted residual factors for significantly intense reflections: 0.2645
• Weighted residual factors for all reflections included in the refinement: 0.3002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No