Information card for entry 4509191

Structure parameters

• Formula: C102 H148 N14 O40 Tb2
• Calculated formula: C102 H148 N14 O40 Tb2
• SMILES: C1(=[O][Tb]2(O1)(OC(=[O][Tb]1(OC(=[O]1)C[n+]1ccc(cc1)/C=C/c1ccc(N(C)C)cc1)(OC(=[O]2)C[n+]1ccc(cc1)/C=C/c1ccc(N(C)C)cc1)(OC(=O)C[n+]1ccc(cc1)/C=C/c1ccc(N(C)C)cc1)([OH2])([OH2])[OH2])C[n+]1ccc(cc1)/C=C/c1ccc(N(C)C)cc1)(OC(=O)C[n+]1ccc(cc1)/C=C/c1ccc(N(C)C)cc1)([OH2])([OH2])[OH2])C[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1.N(=O)(=O)[O-].O.O.O.O.O.O.O.O.N(=O)(=O)[O-].O.O.O.O.O.O.O.O
• Title of publication: Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes
• Authors of publication: Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1499
• a: 13.421 ± 0.007 Å
• b: 14.936 ± 0.008 Å
• c: 18.031 ± 0.01 Å
• α: 74.28 ± 0.009°
• β: 72.802 ± 0.008°
• γ: 75.939 ± 0.009°
• Cell volume: 3271 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1576
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No