Information card for entry 4126266

Structure parameters

• Formula: C236 H170 F48 Fe4 N25 O5 S2 Sb7
• Calculated formula: C235.35 H170 F27.03 Fe4 N24.675 O3.7 S1.35 Sb3.83
• Title of publication: Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.
• Authors of publication: Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 28
• Pages of publication: 9698 - 9707
• a: 33.5373 ± 0.0006 Å
• b: 36.1722 ± 0.0006 Å
• c: 50.1922 ± 0.0016 Å
• α: 90°
• β: 107.83 ± 0.003°
• γ: 90°
• Cell volume: 57965 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1357
• Residual factor for significantly intense reflections: 0.116
• Weighted residual factors for significantly intense reflections: 0.3146
• Weighted residual factors for all reflections included in the refinement: 0.331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No