Information card for entry 4127935

Structure parameters

• Formula: C150 H111 B4 F40 N15 O Pd2 S8
• Calculated formula: C150 H111 B4 F40 N15 O Pd2 S8
• Title of publication: Mechanistic Interplay between Light Switching and Guest Binding in Photochromic [Pd₂Dithienylethene₄] Coordination Cages.
• Authors of publication: Li, Ru-Jin; Holstein, Julian J.; Hiller, Wolf G.; Andréasson, Joakim; Clever, Guido H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 5
• Pages of publication: 2097 - 2103
• a: 15.475 ± 0.003 Å
• b: 17.268 ± 0.003 Å
• c: 19.388 ± 0.004 Å
• α: 63.67 ± 0.03°
• β: 70.32 ± 0.03°
• γ: 86.65 ± 0.03°
• Cell volume: 4347 ± 2 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1622
• Residual factor for significantly intense reflections: 0.1172
• Weighted residual factors for significantly intense reflections: 0.3222
• Weighted residual factors for all reflections included in the refinement: 0.358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.5636 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No