Information card for entry 4129727

Structure parameters

• Formula: C270 H174 B F46 N33 O28 S14 Zn4
• Calculated formula: C259.5 H174 B F14.5 N27.75 O7 S3.5 Zn4
• Title of publication: Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.
• Authors of publication: Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 45
• Pages of publication: 14502 - 14512
• a: 66.845 ± 0.004 Å
• b: 66.845 ± 0.004 Å
• c: 36.369 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 140734 ± 17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1758
• Residual factor for significantly intense reflections: 0.1335
• Weighted residual factors for significantly intense reflections: 0.3482
• Weighted residual factors for all reflections included in the refinement: 0.3801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No