Information card for entry 1564419

Structure parameters

• Formula: C12 H13 Gd N12 O11
• Calculated formula: C12 H13 Gd N12 O11
• SMILES: [Gd]12345(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)([OH2])[n]1c(nc(nc1n1[n]4ccc1)n1nccc1)n1[n]5ccc1.O
• Title of publication: Luminescent complexes of Eu3+,Tb3+ and Gd3+ nitrates with polytopic ligand 2,4,6-tris(1H-pyrazol-1-yl)-1,3,5-triazine
• Authors of publication: Kordeyro Magrino, D.A.; Korshunov, V.M.; Lyssenko, K.A.; Gontcharenko, V.E.; Belousov, Yu.A.; Pettinari, C.; Taydakov, I.V.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 510
• Pages of publication: 119764
• a: 7.4626 ± 0.0004 Å
• b: 12.5841 ± 0.0007 Å
• c: 22.1623 ± 0.0012 Å
• α: 90°
• β: 93.632 ± 0.003°
• γ: 90°
• Cell volume: 2077.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0276
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No