Information card for entry 7715475

Structure parameters

• Formula: C59 H49 Gd N6 O9 P2
• Calculated formula: C59 H49 Gd N6 O9 P2
• SMILES: [Gd]12345([O]=P(c6ccccc6)(c6ccccc6)c6ccccc6)([O]=N(O1)=O)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=N[N]3=C(c1[n]4c(ccc1)C(=[N]5N=C(O2)c1ccccc1O)C)C)c1ccccc1O
• 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: 12.7779 ± 0.0004 Å
• b: 18.8824 ± 0.0005 Å
• c: 24.0303 ± 0.0006 Å
• α: 90°
• β: 103.119 ± 0.001°
• γ: 90°
• Cell volume: 5646.6 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No