Information card for entry 2232094

Structure parameters

• Chemical name: Bis(μ~2~-2-phenoxypropionato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')ytterbium(III)]
• Formula: C78 H70 N4 O18 Yb2
• Calculated formula: C78 H70 N4 O18 Yb2
• SMILES: C1([C@@H](C)Oc2ccccc2)=[O][Yb]234([n]5cccc6c5c5[n]2cccc5cc6)(O1)([O]=C(O3)[C@@H](Oc1ccccc1)C)[O]=C(O[Yb]123([O]=C([C@H](C)Oc5ccccc5)O2)([n]2cccc5ccc6ccc[n]1c6c25)([O]=C(O3)[C@H](Oc1ccccc1)C)[O]=C(O4)[C@H](Oc1ccccc1)C)[C@@H](Oc1ccccc1)C
• Title of publication: Bis(μ~2~-2-phenoxypropionato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')ytterbium(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: 10
• Pages of publication: m1361
• a: 11.3577 ± 0.0004 Å
• b: 12.2091 ± 0.0005 Å
• c: 14.1438 ± 0.0006 Å
• α: 99.111 ± 0.002°
• β: 91.089 ± 0.002°
• γ: 114.32 ± 0.002°
• Cell volume: 1756.94 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes