Information card for entry 7023133

Structure parameters

• Formula: C41 H32 N9 Nd O5
• Calculated formula: C41 H32 N9 Nd O5
• SMILES: [Nd]123456([n]7ccccc7c7ccc8c(c(ccn8)O4)[n]17)([n]1ccccc1c1ccc4c(c(ccn4)O5)[n]21)[n]1ccccc1c1ccc2c(c(ccn2)O6)[n]31.CO.CO
• Title of publication: Constructing lanthanide [Nd(III), Er(III) and Yb(III)] complexes using a tridentate N,N,O-ligand for near-infrared organic light-emitting diodes.
• Authors of publication: Wei, Huibo; Yu, Gang; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 8951 - 8960
• a: 10.03 ± 0.002 Å
• b: 11.767 ± 0.002 Å
• c: 16.707 ± 0.003 Å
• α: 94.07 ± 0.03°
• β: 101.88 ± 0.03°
• γ: 102.84 ± 0.03°
• Cell volume: 1867.2 ± 0.7 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: 0.0738
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No