Information card for entry 7042640

Structure parameters

• Formula: C134 H114 F36 N36 P6 Pd6
• Calculated formula: C134 H114 F36.0004 N35.9996 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: 18.712 ± 0.004 Å
• b: 38.357 ± 0.008 Å
• c: 22.714 ± 0.005 Å
• α: 90°
• β: 110.07 ± 0.03°
• γ: 90°
• Cell volume: 15313 ± 6 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: 0.0452
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No