Information card for entry 7124756

Structure parameters

• Formula: C106 H74.5 B3.5 F13.88 I0.5 N21 O4 Pd2
• Calculated formula: C106 H87 B3.487 F13.948 I0.513 N21 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: 42.9184 ± 0.0007 Å
• b: 20.7337 ± 0.0003 Å
• c: 28.9827 ± 0.0004 Å
• α: 90°
• β: 125.086 ± 0.001°
• γ: 90°
• Cell volume: 21104.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0739
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No