Information card for entry 1505046

Structure parameters

• Formula: C78 H75 Dy N6 O8 P2
• Calculated formula: C78 H75 Dy N6 O8 P2
• SMILES: [Dy]123([O]=C(C(C)C)c4c(nn(c4O1)c1ccccc1)C)(Oc1n(nc(C)c1C(=[O]2)C(C)C)c1ccccc1)([O]=C(c1c(nn(c1O3)c1ccccc1)C)C(C)C)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structure, Photoluminescence, and Electroluminescence Properties of a New Dysprosium Complex
• Authors of publication: Li, Z.-F.; Zhou, L.; Yu, J.-B.; Zhang, H.-J.; Deng, R.-P.; Peng, Z.-P.; Guo, Z.-Y.
• Journal of publication: Journal of Physical Chemistry C
• Year of publication: 2007
• Journal volume: 111
• Journal issue: 5
• Pages of publication: 2295
• a: 13.263 ± 0.003 Å
• b: 23.046 ± 0.005 Å
• c: 22.945 ± 0.005 Å
• α: 90°
• β: 91.51 ± 0.03°
• γ: 90°
• Cell volume: 7011 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No