Information card for entry 4129723

Structure parameters

• Formula: C258 H169 B4 F40 N39 O24 S8 Zn4
• Calculated formula: C256.88 H169 B4 F40.12 N38.44 O21.76 S6.88 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: 14.8197 ± 0.0007 Å
• b: 47.047 ± 0.002 Å
• c: 20.255 ± 0.0009 Å
• α: 90°
• β: 104.428 ± 0.002°
• γ: 90°
• Cell volume: 13676.8 ± 1.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.267
• Weighted residual factors for all reflections included in the refinement: 0.2844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No