Information card for entry 7704667

Structure parameters

• Formula: C270 H224 B3 Cl2.5 F12 N24 O10 Pd4
• Calculated formula: C270 H224 B3 Cl2.5 F12 N24 O10 Pd4
• Title of publication: Substrate and product binding inside a stimuli-responsive coordination cage acting as a singlet oxygen photosensitizer.
• Authors of publication: Pullen, Sonja; Löffler, Susanne; Platzek, André; Holstein, Julian J.; Clever, Guido H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 27
• Pages of publication: 9404 - 9410
• a: 21.837 ± 0.002 Å
• b: 21.837 ± 0.002 Å
• c: 62.93 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 30008 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.2156
• Residual factor for significantly intense reflections: 0.1677
• Weighted residual factors for significantly intense reflections: 0.5024
• Weighted residual factors for all reflections included in the refinement: 0.5366
• Goodness-of-fit parameter for all reflections included in the refinement: 2.135
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No