Information card for entry 7124757

Structure parameters

• Formula: C98 H75 B4 F16 N17 O4 Pd2
• Calculated formula: C98 H75 B4 F16 N17 O4 Pd2
• Title of publication: Solvent- and anion-induced interconversions of metal-organic cages.
• Authors of publication: Li, Yu-Hao; Jiang, Ji-Jun; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Yu, Hui-Juan; Zheng, Shao-Ping; Fenske, Dieter; Su, Cheng-Yong; Barboiu, Mihail
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 56
• Pages of publication: 8745 - 8748
• a: 43.0462 ± 0.0013 Å
• b: 20.744 ± 0.0004 Å
• c: 28.9748 ± 0.0007 Å
• α: 90°
• β: 125.766 ± 0.003°
• γ: 90°
• Cell volume: 20993.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1496
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No