Information card for entry 2011568

Structure parameters

• Chemical name: Tris(2,6-di-tert-butyl-4-methylphenoxo-) (triphenylphosphine oxide) samarium
• Formula: C63 H84 O4 P Sm
• Calculated formula: C63 H84 O4 P Sm
• SMILES: [Sm](OP(c1ccccc1)(c1ccccc1)c1ccccc1)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C
• Title of publication: Tris(2,6-di-<i>tert</i>-butyl-4-methylphenolato-<i>O</i>)(triphenylphosphine oxide-<i>O</i>)samarium(III)
• Authors of publication: Yao, Yingming; Shen, Qi; Yu, Kaibei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1330 - 1331
• a: 11.682 ± 0.002 Å
• b: 38.168 ± 0.006 Å
• c: 14.245 ± 0.002 Å
• α: 90°
• β: 112.63 ± 0.01°
• γ: 90°
• Cell volume: 5862.5 ± 1.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections: 0.847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes