Information card for entry 7117177

Structure parameters

• Formula: C29 H31 N3 O6
• Calculated formula: C29 H31 N3 O6
• SMILES: COCCOCCOc1cncc(c1)C#Cc1cccc(C#Cc2cncc(c2)OCCOCCOC)n1
• 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: 19.2486 ± 0.0002 Å
• b: 10.9164 ± 0.0001 Å
• c: 12.4114 ± 0.0001 Å
• α: 90°
• β: 93.117 ± 0.001°
• γ: 90°
• Cell volume: 2604.09 ± 0.04 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No