Information card for entry 4130473

Structure parameters

• Formula: C328 H234 F48 Mo12 N48 O105 S16 Zn8
• Calculated formula: C312 H216 Mo12 N48 O57 Zn8
• Title of publication: Subtle Ligand Modification Inverts Guest Binding Hierarchy in M(II)8L6 Supramolecular Cubes.
• Authors of publication: Ramsay, William J.; Rizzuto, Felix J.; Ronson, Tanya K.; Caprice, Kenji; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 23
• Pages of publication: 7264 - 7267
• a: 40.9008 ± 0.0015 Å
• b: 40.9008 ± 0.0015 Å
• c: 40.9008 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 68422 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 209
• Hermann-Mauguin space group symbol: F 4 3 2
• Hall space group symbol: F 4 2 3
• Residual factor for all reflections: 0.1586
• Residual factor for significantly intense reflections: 0.1358
• Weighted residual factors for significantly intense reflections: 0.3741
• Weighted residual factors for all reflections included in the refinement: 0.3893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.338
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No