Information card for entry 4108280

Structure parameters

• Formula: C433 H375 Cd12 Cl24 N109 O98
• Calculated formula: C432 H371 Cd12 Cl20 N109 O82
• Title of publication: Mixed-Ligand Molecular Paneling: Dodecanuclear Cuboctahedral Coordination Cages Based on a Combination of Edge-Bridging and Face-Capping Ligands
• Authors of publication: Nawal K. Al-Rasbi; Ian S. Tidmarsh; Stephen P. Argent; Harry Adams; Lindsay P. Harding; Michael D. Ward
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 11641 - 11649
• a: 37.22 ± 0.007 Å
• b: 37.22 ± 0.007 Å
• c: 43.77 ± 0.009 Å
• α: 90°
• β: 90.1 ± 0.03°
• γ: 90°
• Cell volume: 60636 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.2095
• Residual factor for significantly intense reflections: 0.134
• Weighted residual factors for significantly intense reflections: 0.3464
• Weighted residual factors for all reflections included in the refinement: 0.3812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No