Information card for entry 7131497

Structure parameters

• Formula: C470.03 H676.06 N60 O40.68 P4
• Calculated formula: C457.03 H648.06 N60 O40.6766 P4
• Title of publication: Fluorescence "ON-OFF-ON" response in the formation of a tetrahedral anionocage and encapsulation of halogenated hydrocarbons.
• Authors of publication: Zhao, Jie; Zhang, Wenyao; Zheng, Yayun; Wang, Yue; Yang, Dong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 35
• Pages of publication: 5229 - 5232
• a: 31.4137 ± 0.0003 Å
• b: 32.1377 ± 0.0002 Å
• c: 50.4723 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 50955 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2505
• Weighted residual factors for all reflections included in the refinement: 0.2663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No