Information card for entry 1506825

Structure parameters

• Formula: C61 H66 Cl3 N8 O6 Tb
• Calculated formula: C61 H66 Cl3 N8 O6 Tb
• SMILES: [Tb]1234(Oc5n(nc(c5C(=[O]1)CC(C)(C)C)C)c1ccccc1)(Oc1n(nc(c1C(=[O]2)CC(C)(C)C)C)c1ccccc1)(Oc1n(nc(c1C(=[O]3)CC(C)(C)C)C)c1ccccc1)[n]1cccc2ccc3ccc[n]4c3c12.C(Cl)(Cl)Cl
• Title of publication: The Effect of Different Neutral Ligands on Photoluminescence and Electroluminescence Properties of Ternary Terbium Complexes
• Authors of publication: Xin, Hao; Shi, Mei; Gao, Xi Cun; Huang, Yan Yi; Gong, Ze Liang; Nie, Dao Bo; Cao, Hong; Bian, Zu Qiang; Li, Fu You; Huang, Chun Hui
• Journal of publication: The Journal of Physical Chemistry B
• Year of publication: 2004
• Journal volume: 108
• Journal issue: 30
• Pages of publication: 10796
• a: 12.8867 ± 0.0017 Å
• b: 13.9288 ± 0.0015 Å
• c: 19.09 ± 0.003 Å
• α: 69.13 ± 0.01°
• β: 77.076 ± 0.008°
• γ: 65.411 ± 0.004°
• Cell volume: 2899.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1281
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.761
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No