Information card for entry 2231512

Structure parameters

• Chemical name: Tetrakis(μ-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'; κ^3^<i>O</i>:<i>O</i>,<i>O</i>',κ^4^<i>O</i>:<i>O</i>'- bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2- phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')dysprosium(III)]
• Formula: C78 H70 Dy2 N4 O18
• Calculated formula: C78 H70 Dy2 N4 O18
• SMILES: C1([C@H](C)Oc2ccccc2)=[O][Dy]23456([n]7cccc8ccc9ccc[n]2c9c78)(O1)[O]=C(O[Dy]127([O]5C(=[O]4)[C@H](Oc4ccccc4)C)([O]=C([C@@H](C)Oc4ccccc4)O2)([n]2cccc4ccc5ccc[n]1c5c24)([O]=C(O6)[C@@H](Oc1ccccc1)C)[O]=C([O]37)[C@@H](Oc1ccccc1)C)[C@@H](C)Oc1ccccc1
• Title of publication: Tetrakis(μ-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>',κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')dysprosium(III)]
• Authors of publication: Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1320
• a: 11.4738 ± 0.0001 Å
• b: 25.8057 ± 0.0003 Å
• c: 13.8525 ± 0.0002 Å
• α: 90°
• β: 120.657 ± 0.001°
• γ: 90°
• Cell volume: 3528.32 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0357
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes