Information card for entry 7122952

Structure parameters

• Formula: C72 H60 F6 N4 Na O12 P
• Calculated formula: C72 H60 F6 N4 Na O12 P
• SMILES: C1CCCCCCCCCCCCCOC(=O)c2ccc3c4c5c(ccc(C(=O)OCCCCCC1)[n]5[Na]156([O]=C7c8ccc9c(c%10c(ccc(C(=O)[O]5Cc%11ccc(OCCOc%12c(cccc%12)OCCOc%12ccc(cc%12)CO7)cc%11)[n]1%10)cc9)[n]68)[n]24)cc3.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A multifunctional catenated host for efficient binding of Eu3+ and Gd3+
• Authors of publication: Ghosh, Pradyut; Nandi, Mandira; Bej, Somnath; Ghosh, Tamal Kanti
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.036 ± 0.005 Å
• b: 18.365 ± 0.01 Å
• c: 21.014 ± 0.012 Å
• α: 88.766 ± 0.018°
• β: 85.77 ± 0.02°
• γ: 87.085 ± 0.019°
• Cell volume: 3473 ± 3 ų
• Cell temperature: 107.35 K
• Ambient diffraction temperature: 107.35 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2255
• Residual factor for significantly intense reflections: 0.1218
• Weighted residual factors for significantly intense reflections: 0.3045
• Weighted residual factors for all reflections included in the refinement: 0.3667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No