Information card for entry 1543205

Structure parameters

• Formula: C42 H48 Cl12 Gd2 O33
• Calculated formula: C42 H48 Cl12 Gd2 O33
• SMILES: [Gd]1([O]=C(O[Gd]([O]=C(O1)c1c(O)c(Cl)cc(Cl)c1)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])c1c(O)c(Cl)cc(Cl)c1)(OC(=O)c1c(O)c(Cl)cc(Cl)c1)([OH2])([OH2])([OH2])([OH2])[OH2].Clc1cc(Cl)c(O)c(C(=O)[O-])c1.Clc1c(O)c(C(=O)[O-])cc(Cl)c1.[O-]C(=O)c1c(O)c(Cl)cc(Cl)c1.O.O.O.O
• Title of publication: A new luminescent lanthanide supramolecular network possessing free Lewis base sites for highly selective and sensitive Cu(2+) sensing.
• Authors of publication: Chu, Tianshu; Hu, Yunsong; Wu, Jinlun; Zeng, Chenghui; Yang, Yangyi; Ng, Seik Weng
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2016
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 744 - 751
• a: 11.2461 ± 0.0002 Å
• b: 32.8782 ± 0.0005 Å
• c: 16.8424 ± 0.0003 Å
• α: 90°
• β: 97.574 ± 0.002°
• γ: 90°
• Cell volume: 6173.17 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.633
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No