Information card for entry 7117178

Structure parameters

• Formula: C116 H132 B4 F16 N12 O28 Pd2
• Calculated formula: C116 H132 B4 F16 N12 O28 Pd2
• Title of publication: Chloride triggered reversible switching from a metallosupramolecular [Pd2L4]^4+^ cage to a [Pd2L2Cl4] metallo-macrocycle with release of endo- and exo-hedrally bound guests
• Authors of publication: Dan Preston; Alyssa Fox-Charles; Warrick K. C. Lo; James D. Crowley
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 9042
• a: 14.8562 ± 0.0005 Å
• b: 16.5839 ± 0.0005 Å
• c: 16.9982 ± 0.0004 Å
• α: 117.401 ± 0.003°
• β: 93.11 ± 0.002°
• γ: 114.691 ± 0.003°
• Cell volume: 3216.5 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No