Information card for entry 4110347

Structure parameters

• Formula: C622 H549 Cd16 Cl28 N167 O112
• Calculated formula: C622 H549 Cd16 Cl28 N167 O112
• Title of publication: High-nuclearity Homoleptic and Heteroleptic Coordination Cages Based on Tetra-Capped Truncated Tetrahedral and Cuboctahedral Metal Frameworks
• Authors of publication: Stephen P. Argent; Harry Adams; Thomas Riis-Johannessen; John C. Jeffery; Lindsay P. Harding; Michael D. Ward
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 72 - 73
• a: 29.7224 ± 0.0008 Å
• b: 30.1896 ± 0.0008 Å
• c: 52.4872 ± 0.0013 Å
• α: 87.581 ± 0.001°
• β: 79.978 ± 0.001°
• γ: 70.105 ± 0.001°
• Cell volume: 43603 ± 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: 0.1489
• Residual factor for significantly intense reflections: 0.1269
• Weighted residual factors for significantly intense reflections: 0.3487
• Weighted residual factors for all reflections included in the refinement: 0.382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.396
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No