Information card for entry 4108281

Structure parameters

• Formula: C82 H79 Cd3 Cl6 N23 O26
• Calculated formula: C82 H60 Cd3 Cl6 N23 O26
• 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: 17.262 ± 0.0016 Å
• b: 17.9425 ± 0.0017 Å
• c: 18.4478 ± 0.0017 Å
• α: 70.614 ± 0.006°
• β: 82.359 ± 0.005°
• γ: 63.121 ± 0.005°
• Cell volume: 4806.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1695
• Residual factor for significantly intense reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.2894
• Weighted residual factors for all reflections included in the refinement: 0.33
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No