Information card for entry 7053338

Structure parameters

• Formula: C78 H70 Dy2 N4 O12
• Calculated formula: C78 H70 Dy2 N4 O12
• SMILES: c1cc(ccc1C1=[O][Dy]234([n]5cccc6ccc7ccc[n]3c7c56)(O1)([O]=C(O4)c1ccc(cc1)CC)[O]=C(O[Dy]134([O]=C(c5ccc(cc5)CC)O3)([n]3cccc5ccc6ccc[n]1c6c53)([O]=C(O4)c1ccc(cc1)CC)[O]=C(O2)c1ccc(cc1)CC)c1ccc(cc1)CC)CC
• Title of publication: Crystal structures, luminescent and thermal properties of a new series of lanthanide complexes with 4-ethylbenzoic acid
• Authors of publication: Ye, Hong-Mei; Ren, Ning; Zhang, Jian-Jun; Sun, Shu-Jing; Wang, Juan-Fen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 533
• a: 10.0098 ± 0.0013 Å
• b: 23.815 ± 0.003 Å
• c: 13.7457 ± 0.0018 Å
• α: 90°
• β: 93.593 ± 0.002°
• γ: 90°
• Cell volume: 3270.3 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No