Information card for entry 4315302

Structure parameters

• Formula: C22 H44 N8 O28 Tb2
• Calculated formula: C22 H44 N8 O28 Tb2
• SMILES: C1(=O)c2cncc[n]2[Tb]23([n]4c(C(=O)O2)cncc4)([O]=C2C(=[O][Tb]45([n]6c(C(=O)O4)cncc6)([n]4c(C(=O)O5)cncc4)(O2)([OH2])([OH2])[OH2])O3)(O1)([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O
• Title of publication: Photoluminescent Lanthanide-Organic Bilayer Networks with 2,3-Pyrazinedicarboxylate and Oxalate
• Authors of publication: Paula C. R. Soares-Santos; Luís Cunha-Silva; Filipe A. Almeida Paz; Rute A. S. Ferreira; João Rocha; Luís D. Carlos; Helena I. S. Nogueira
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3428 - 3440
• a: 9.7616 ± 0.0003 Å
• b: 10.2365 ± 0.0003 Å
• c: 11.1146 ± 0.0003 Å
• α: 77.141 ± 0.002°
• β: 73.644 ± 0.002°
• γ: 77.468 ± 0.002°
• Cell volume: 1024.72 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No