Information card for entry 2231498

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>')terbium(III)]
• Formula: C78 H70 N4 O18 Tb2
• Calculated formula: C78 H70 N4 O18 Tb2
• SMILES: c1(ccccc1)O[C@@H](C1=[O][Tb]23456([n]7cccc8ccc9ccc[n]3c9c78)([O]=C([C@H](Oc3ccccc3)C)O[Tb]378([O]=C([C@H](C)Oc9ccccc9)O8)([n]8cccc9ccc%10ccc[n]3c%10c89)([O]=C(O4)[C@@H](Oc3ccccc3)C)([O]=C([O]27)[C@H](Oc2ccccc2)C)[O]6C(=[O]5)[C@@H](Oc2ccccc2)C)O1)C
• 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>')terbium(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: m1234
• a: 11.4747 ± 0.0003 Å
• b: 25.813 ± 0.0008 Å
• c: 13.853 ± 0.0003 Å
• α: 90°
• β: 120.585 ± 0.002°
• γ: 90°
• Cell volume: 3532.35 ± 0.18 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: 0.0562
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes