Information card for entry 4129726

Structure parameters

• Formula: C108 H76 F24 N20 O20 S8 Zn2
• Calculated formula: C102 H72 F6 N17 O8 S2 Zn2
• 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: 10.0543 ± 0.0015 Å
• b: 14.692 ± 0.002 Å
• c: 22.93 ± 0.003 Å
• α: 102.034 ± 0.007°
• β: 99.129 ± 0.006°
• γ: 102.863 ± 0.006°
• Cell volume: 3154 ± 0.8 ų
• Cell temperature: 184 ± 2 K
• Ambient diffraction temperature: 184 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2682
• Weighted residual factors for all reflections included in the refinement: 0.2842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No