Information card for entry 2231525

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>')praseodymium(III)]
• Formula: C78 H70 N4 O18 Pr2
• Calculated formula: C78 H70 N4 O18 Pr2
• SMILES: C1([C@H](C)Oc2ccccc2)=[O][Pr]23456([n]7cccc8ccc9ccc[n]2c9c78)(O1)[O]=C([O]3[Pr]123([n]7cccc8ccc9ccc[n]1c9c78)([O]=C([C@@H](C)Oc1ccccc1)O2)([O]=C([O]43)[C@@H](Oc1ccccc1)C)([O]=C(O6)[C@@H](Oc1ccccc1)C)OC(=[O]5)[C@H](Oc1ccccc1)C)[C@H](Oc1ccccc1)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>')praseodymium(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: m1321
• a: 11.5142 ± 0.0002 Å
• b: 25.8845 ± 0.0004 Å
• c: 13.9275 ± 0.0002 Å
• α: 90°
• β: 120.204 ± 0.001°
• γ: 90°
• Cell volume: 3587.41 ± 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: 0.0291
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes