Information card for entry 4127936

Structure parameters

• Formula: C160 H122 B2 F32 N12 O8 Pd2 S10
• Calculated formula: C160 H122 B2 F32 N12 O8 Pd2 S10
• 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: 16.2723 ± 0.0007 Å
• b: 18.2308 ± 0.0007 Å
• c: 19.8269 ± 0.0008 Å
• α: 106.559 ± 0.002°
• β: 90.944 ± 0.002°
• γ: 108.396 ± 0.002°
• Cell volume: 5313 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No