Information card for entry 4509193

Structure parameters

• Formula: C82 H94 N11 O17 Tm
• Calculated formula: C82 H94 N11 O17 Tm
• SMILES: [Tm]1([n]2cccc3c2c2[n]1cccc2cc3)(OC(=O)C[n+]1ccc(cc1)/C=C/c1ccc(N(C)C)cc1)(OC(=O)C[n+]1ccc(cc1)/C=C/c1ccc(N(C)C)cc1)(OC(=O)C[n+]1ccc(cc1)/C=C/c1ccc(N(C)C)cc1)(O)([OH2])O.[n+]1(CC(=O)[O-])ccc(cc1)/C=C/c1ccc(N(C)C)cc1.N(=O)(=O)[O-].OCC.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: 14.73 ± 0.019 Å
• b: 17.54 ± 0.02 Å
• c: 17.84 ± 0.02 Å
• α: 107.02 ± 0.02°
• β: 100.11 ± 0.02°
• γ: 102.31 ± 0.02°
• Cell volume: 4164 ± 9 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: 0.1176
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2466
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No