Information card for entry 7715479

Structure parameters

• Formula: C59 H49 Dy N6 O9 P2
• Calculated formula: C59 H49 Dy N6 O9 P2
• SMILES: [Dy]12345([O]=P(c6ccccc6)(c6ccccc6)c6ccccc6)([O]=P(c6ccccc6)(c6ccccc6)c6ccccc6)(OC(=N[N]4=C(c4[n]5c(C(=[N]3N=C(O1)c1ccccc1O)C)ccc4)C)c1c(O)cccc1)[O]=N(=O)O2
• Title of publication: Selective fluoride sensing by a novel series of lanthanide-based one-dimensional coordination polymers through intramolecular proton transfer.
• Authors of publication: Singh, Vaibhav; Suresh, Lakshmi Thachanadan; Sutter, Jean-Pascal; Bar, Arun Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 7436 - 7449
• a: 12.7507 ± 0.0004 Å
• b: 18.842 ± 0.0006 Å
• c: 23.9856 ± 0.0009 Å
• α: 90°
• β: 103.027 ± 0.001°
• γ: 90°
• Cell volume: 5614.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No