Information card for entry 7042642

Structure parameters

• Formula: C126 H84 F36 N26 P6 Pd6
• Calculated formula: C126 H84 F36 N26 P6 Pd6
• Title of publication: Self-Assembly and Anion sensing of Metal-organic [M6L2] Cages from Fluorescent Triphenylamine Tri-pyrazoles with Dipalladium(II,II) Corners
• Authors of publication: Cui, Yu; Chen, Zi-Man; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 29.983 ± 0.004 Å
• b: 29.983 ± 0.004 Å
• c: 11.399 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8875 ± 2 ų
• Cell temperature: 291.15 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 6
• Space group number: 175
• Hermann-Mauguin space group symbol: P 6/m
• Hall space group symbol: -P 6
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2119
• Weighted residual factors for all reflections included in the refinement: 0.2383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No