Information card for entry 1564789

Structure parameters

• Chemical name: In(tcpp)
• Formula: C16 H9 In N O5
• Calculated formula: C16 H8 In N O5
• Title of publication: Switchable sensor and scavenger: detection and removal of fluorinated chemical species by luminescent metal-organic framework
• Authors of publication: YIN, HUAQING; Tan, Kui; Jensen, Stephanie; Teat, Simon; Ullah, Saif; Hei, Xiuze; Velasco, Ever; Oyekan, Kolade; Meyer, Noah; Wang, Xin-Yao; Thonhauser, Timo; Yin, Xue-Bo; Li, Jing
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 7.2195 ± 0.0003 Å
• b: 22.5222 ± 0.001 Å
• c: 15.7802 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2565.85 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No