Information card for entry 7113081

Structure parameters

• Formula: C117 H162.5 F48 N18.5 O15.5 P8 Pd2
• Calculated formula: C117 H162.5 F48 N18.5 O15.5 P8 Pd2
• Title of publication: Directed self-assembly of a ring-in-ring complex.
• Authors of publication: Forgan, Ross S.; Friedman, Douglas C.; Stern, Charlotte L.; Bruns, Carson J.; Stoddart, J. Fraser
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 32
• Pages of publication: 5861 - 5863
• a: 18.2493 ± 0.0003 Å
• b: 17.8612 ± 0.0003 Å
• c: 23.4887 ± 0.0003 Å
• α: 90°
• β: 92.936 ± 0.001°
• γ: 90°
• Cell volume: 7646.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.127
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2422
• Weighted residual factors for all reflections included in the refinement: 0.284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No