Information card for entry 4127249

Structure parameters

• Formula: C317.33 H285.48 B34.92 Cs0.36 F2.7 Fe4 N37.58 O8.8 S0.9
• Calculated formula: C314.15 H285.475 B38.1 Cs0.3645 F2.7 Fe4 N37.575 O8.8 S0.9
• Title of publication: Enantiopure [Cs⁺/Xe⊂Cryptophane]⊂Fe^II₄L₄ Hierarchical Superstructures.
• Authors of publication: Zhang, Dawei; Ronson, Tanya K.; Greenfield, Jake L.; Brotin, Thierry; Berthault, Patrick; Léonce, Estelle; Zhu, Jun-Long; Xu, Lin; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 20
• Pages of publication: 8339 - 8345
• a: 31.1172 ± 0.0002 Å
• b: 59.4899 ± 0.0003 Å
• c: 49.3791 ± 0.0006 Å
• α: 90°
• β: 92.154 ± 0.001°
• γ: 90°
• Cell volume: 91344 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.1864
• Residual factor for significantly intense reflections: 0.1183
• Weighted residual factors for significantly intense reflections: 0.3178
• Weighted residual factors for all reflections included in the refinement: 0.3703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No