Information card for entry 4509199

Structure parameters

• Formula: C106 H152 Er2 N14 O38
• Calculated formula: C106 H152 Er2 N14 O38
• SMILES: C1(=[O][Er]2(O1)([O]=C(O[Er]1(OC(=[O]1)C[n+]1ccc(cc1)/C=C/c1ccc(N(C)C)cc1)([O]=C(O2)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)(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-].C(C)O.O.O.O.O.O.O.N(=O)(=O)[O-].C(C)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: 13.33 ± 0.006 Å
• b: 14.937 ± 0.007 Å
• c: 17.937 ± 0.008 Å
• α: 74.45 ± 0.006°
• β: 72.399 ± 0.006°
• γ: 76.142 ± 0.007°
• Cell volume: 3230 ± 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: 0.1187
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No