Information card for entry 7132542

Structure parameters

• Formula: C118 H89 B2 F8 N19 Pd2
• Calculated formula: C118 H89 B2 F8 N19 Pd2
• SMILES: [Pd]123[n]4cccc(N5c6ccccc6N(c6c5cccc6)c5ccc(c6c[n]([Pd]([n]7cc(ccc7)c7ccc(N8c9c(N(c%10ccc[n]1c%10)c1c8cccc1)cccc9)cc7)([n]1cccc(N7c8c(N(c9ccc(c%10c[n]2ccc%10)cc9)c2c7cccc2)cccc8)c1)[n]1cc(N2c7c(N(c8ccc(c9ccc[n]3c9)cc8)c3ccccc23)cccc7)ccc1)ccc6)cc5)c4.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC.N#CC.N#CC
• Title of publication: Self-assembly of conformation-adaptive dihydrophenazine-based coordination cages.
• Authors of publication: Wu, Meng-Xiang; Hong, Qiong-Yan; Li, Minghui; Jiang, Wei-Ling; Huang, Bin; Lu, Shuai; Wang, Heng; Yang, Hai-Bo; Zhao, Xiao-Li; Shi, Xueliang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 9
• Pages of publication: 1184 - 1187
• a: 14.567 ± 0.003 Å
• b: 22.094 ± 0.004 Å
• c: 18.901 ± 0.004 Å
• α: 90°
• β: 105.02 ± 0.03°
• γ: 90°
• Cell volume: 5875 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2469
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No