Information card for entry 4128574

Structure parameters

• Formula: C92 H80 As8 F48 N20 O2 Pd4
• Calculated formula: C92 H76 As7.998 F48 N20 O2 Pd4
• Title of publication: Metal and Organic Templates Together Control the Size of Covalent Macrocycles and Cages.
• Authors of publication: Lavendomme, Roy; Ronson, Tanya K.; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 30
• Pages of publication: 12147 - 12158
• a: 52.893 ± 0.011 Å
• b: 8.1609 ± 0.0016 Å
• c: 38.856 ± 0.008 Å
• α: 90°
• β: 132.39 ± 0.03°
• γ: 90°
• Cell volume: 12388 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No