Information card for entry 1506826

Structure parameters

• Formula: C48 H59 N6 O7 Tb
• Calculated formula: C48 H58 N6 O7 Te
• SMILES: [Te]123(Oc4n(nc(c4C(=[O]1)CC(C)(C)C)C)c1ccccc1)(O)(Oc1n(nc(c1C(=[O]2)CC(C)(C)C)C)c1ccccc1)Oc1n(nc(c1C(=[O]3)CC(C)(C)C)C)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: 15.4491 ± 0.0005 Å
• b: 23.7237 ± 0.0007 Å
• c: 15.08 ± 0.0005 Å
• α: 90°
• β: 118.064 ± 0.001°
• γ: 90°
• Cell volume: 4877.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1218
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No