Information card for entry 7061536

Structure parameters

• Formula: C52 H30 Ag F6 N4 O P
• Calculated formula: C52 H28 Ag F6 N4 O P
• Title of publication: Tetrabenzo[b,de,gh,j][1,10]phenanthroline: a nitrogen-doped nanographene as a selective metal cation and proton fluorophore
• Authors of publication: Xu, Xiao; Xia, Ting; Chen, Xu-Lang; Hao, Xiang; Liang, Tongling; Li, Huan-Rong; Gong, Han-Yuan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 11835 - 11839
• a: 15.6299 ± 0.0006 Å
• b: 56.8151 ± 0.0011 Å
• c: 37.3175 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33138.5 ± 1.6 ų
• Cell temperature: 169.98 ± 0.13 K
• Ambient diffraction temperature: 169.98 ± 0.13 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2205
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No