Information card for entry 4516592

Structure parameters

• Formula: C56 H56 Ag2 I2 P4
• Calculated formula: C56 H56 Ag2 I2 P4
• SMILES: C1CCC[P](c2ccccc2)(c2ccccc2)[Ag]23[I][Ag]([P]1(c1ccccc1)c1ccccc1)([I]3)[P](CCCC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Gelation of Luminescent Supramolecular Cages and Transformation to Crystals with Trace-Doped-Enhancement Luminescence.
• Authors of publication: Feng, Juan; Zeng, Lihua; Chen, Kunyu; Fang, Haobin; Zhang, Jianyong; Chi, Zhenguo; Su, Cheng-Yong
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2016
• Journal volume: 32
• Journal issue: 46
• Pages of publication: 12184 - 12189
• a: 10.1957 ± 0.0001 Å
• b: 18.8215 ± 0.0002 Å
• c: 13.6849 ± 0.0002 Å
• α: 90°
• β: 99.59 ± 0.001°
• γ: 90°
• Cell volume: 2589.41 ± 0.05 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No