Information card for entry 7021266

Structure parameters

• Formula: C420 H334 Cl24 Cu12 N90 O98
• Calculated formula: C420 H330 Cl17 Cu12 N90 O70
• Title of publication: Cu12 and Cd16 coordination cages and their Cu3 and Cd3 subcomponents, and the role of inter-ligand π-stacking in stabilising cage complexes.
• Authors of publication: Stephenson, Andrew; Sykes, Daniel; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 6756 - 6767
• a: 29.779 ± 0.004 Å
• b: 38.677 ± 0.004 Å
• c: 45.44 ± 0.005 Å
• α: 90°
• β: 97.798 ± 0.002°
• γ: 90°
• Cell volume: 51852 ± 10 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2752
• Residual factor for significantly intense reflections: 0.1503
• Weighted residual factors for significantly intense reflections: 0.3734
• Weighted residual factors for all reflections included in the refinement: 0.4215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No