Information card for entry 7021263

Structure parameters

• Formula: C94 H88 B6 Cd3 F24 N20 O8
• Calculated formula: C94 H88 B6 Cd3 F24 N20 O8
• 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: 28.1552 ± 0.0015 Å
• b: 25.0616 ± 0.0015 Å
• c: 16.5885 ± 0.0009 Å
• α: 90°
• β: 110.493 ± 0.005°
• γ: 90°
• Cell volume: 10964.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2609
• Weighted residual factors for all reflections included in the refinement: 0.2873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No