Information card for entry 1506824

Structure parameters

• Formula: C33 H36 N3 O3.5 P0.5 Tb0.5
• Calculated formula: C33 H36 N3 O3.5 P0.5 Tb0.5
• SMILES: [Tb]123(Oc4n(nc(c4C(=[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)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.049 ± 0.002 Å
• b: 13.986 ± 0.003 Å
• c: 18.529 ± 0.004 Å
• α: 96.74 ± 0.03°
• β: 104.78 ± 0.03°
• γ: 90.23 ± 0.03°
• Cell volume: 2996.4 ± 1.1 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: 0.0583
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No