Information card for entry 2231640

Structure parameters

• Chemical name: Bis(μ-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>')samarium(III)]
• Formula: C78 H70 N4 O18 Sm2
• Calculated formula: C78 H70 N4 O18 Sm2
• SMILES: C1(=[O][Sm]234([n]5cccc6ccc7ccc[n]3c7c56)([O]=C(O4)[C@H](Oc3ccccc3)C)([O]=C([C@H](Oc3ccccc3)C)O[Sm]345([O]=C([C@@H](C)Oc6ccccc6)O3)([n]3cccc6ccc7ccc[n]4c7c36)([O]=C(O5)[C@@H](Oc3ccccc3)C)[O]=C(O2)[C@@H](Oc2ccccc2)C)O1)[C@@H](Oc1ccccc1)C
• Title of publication: Bis(μ-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>')samarium(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: m1319
• a: 11.3589 ± 0.0006 Å
• b: 12.2144 ± 0.0006 Å
• c: 14.1282 ± 0.0008 Å
• α: 99.111 ± 0.003°
• β: 91.116 ± 0.003°
• γ: 114.381 ± 0.003°
• Cell volume: 1754.98 ± 0.17 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: 0.0334
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes