Information card for entry 2232091

Structure parameters

• Chemical name: Tetrakis(μ~2~-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>')lanthanum(III)]
• Formula: C78 H70 La2 N4 O18
• Calculated formula: C78 H70 La2 N4 O18
• SMILES: [n]12cccc3ccc4ccc[n]([La]567891([O]=C([C@H](C)Oc1ccccc1)O[La]1%10%11([n]%12cccc%13ccc%14ccc[n]1c%14c%12%13)([O]=C([C@@H](C)Oc1ccccc1)O5)([O]6C(=[O]8)[C@H](Oc1ccccc1)C)([O]7C(=[O]%10)[C@@H](Oc1ccccc1)C)[O]=C(O%11)[C@H](Oc1ccccc1)C)[O]=C(O9)[C@@H](Oc1ccccc1)C)c4c23
• Title of publication: Tetrakis(μ~2~-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>')lanthanum(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: m1358
• a: 11.5474 ± 0.0002 Å
• b: 25.9919 ± 0.0004 Å
• c: 13.9632 ± 0.0002 Å
• α: 90°
• β: 119.961 ± 0.0001°
• γ: 90°
• Cell volume: 3630.85 ± 0.1 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: 0.0287
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0498
• 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