Information card for entry 4129725

Structure parameters

• Formula: C276 H177 F48 Fe4 N33 O32 S16
• Calculated formula: C271.164 H177 F32.25 Fe4 N30.25 O21 S10.75
• 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: 21.7632 ± 0.0011 Å
• b: 29.6794 ± 0.0014 Å
• c: 45.408 ± 0.002 Å
• α: 90°
• β: 98.851 ± 0.001°
• γ: 90°
• Cell volume: 28981 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1713
• Residual factor for significantly intense reflections: 0.1398
• Weighted residual factors for significantly intense reflections: 0.3816
• Weighted residual factors for all reflections included in the refinement: 0.401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.574
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No