Information card for entry 4348265

Structure parameters

• Chemical name: nabp-Me22+2PF6
• Formula: C42 H37 F12 N11 O4 P2
• Calculated formula: C42 H37 F12 N11 O4 P2
• Title of publication: Synthesis of a naphthalenediimide-based cyclophane for controlling anion–arene interactions
• Authors of publication: Li, Yongjun; Zhao, Yingjie; Jiang, Runsheng; Liu, Huibiao; Li, Yuliang
• Journal of publication: Inorg. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 9
• Pages of publication: 661
• a: 13.697 ± 0.002 Å
• b: 23.188 ± 0.003 Å
• c: 14.177 ± 0.002 Å
• α: 90°
• β: 95.173 ± 0.002°
• γ: 90°
• Cell volume: 4484.4 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0804
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No