Information card for entry 7704666

Structure parameters

• Formula: C272 H227 B3 Cl2 F12 N25 O8 Pd4
• Calculated formula: C272 H227 B3 Cl2 F12 N25 O8 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: 21.757 ± 0.003 Å
• b: 21.757 ± 0.003 Å
• c: 62.923 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29786 ± 8 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 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: 0.1824
• Residual factor for significantly intense reflections: 0.1608
• Weighted residual factors for significantly intense reflections: 0.557
• Weighted residual factors for all reflections included in the refinement: 0.5754
• Goodness-of-fit parameter for all reflections included in the refinement: 2.566
• Diffraction radiation wavelength: 0.5636 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No