Information card for entry 2232093

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>')cerium(III)]
• Formula: C78 H70 Ce2 N4 O18
• Calculated formula: C78 H70 Ce2 N4 O18
• SMILES: C1([C@H](Oc2ccccc2)C)=[O][Ce]23456([n]7cccc8ccc9ccc[n]3c9c78)([O]=C(O2)[C@H](Oc2ccccc2)C)OC([C@H](C)Oc2ccccc2)=[O][Ce]237([n]8cccc9ccc%10ccc[n]2c%10c89)(O1)([O]=C(O3)[C@@H](Oc1ccccc1)C)([O]=C([O]67)[C@H](Oc1ccccc1)C)[O]5C(=[O]4)[C@@H](Oc1ccccc1)C
• 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>')cerium(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: m1359 - m1360
• a: 11.5137 ± 0.0002 Å
• b: 25.9311 ± 0.0006 Å
• c: 13.962 ± 0.0003 Å
• α: 90°
• β: 120.149 ± 0.001°
• γ: 90°
• Cell volume: 3604.63 ± 0.13 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: 0.0406
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes