Information card for entry 7021265

Structure parameters

• Formula: C184 H156 B12 Cu6 F48 N44
• Calculated formula: C184 H156 B9 Cu6 F36 N44
• 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: 33.9274 ± 0.001 Å
• b: 19.5014 ± 0.0005 Å
• c: 33.3186 ± 0.001 Å
• α: 90°
• β: 94.534 ± 0.002°
• γ: 90°
• Cell volume: 21975.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1444
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.2433
• Weighted residual factors for all reflections included in the refinement: 0.268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No