Information card for entry 7054763

Structure parameters

• Formula: C40 H67 N3 P Sc
• Calculated formula: C40 H67 N3 P Sc
• SMILES: [Sc]12(Pc3c(cc(cc3C(C)(C)C)C(C)(C)C)C(C)(C)C)([N](=C(C)C=C(N1CC[N]2(C)C)C)c1c(cccc1C(C)C)C(C)C)C
• Title of publication: Substitution reaction of triphenylphosphine oxide with rare-earth metal phosphido methyl complexes
• Authors of publication: Lv, Yingdong; Zhou, Jiliang; Leng, Xuebing; Chen, Yaofeng
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7582
• a: 13.9246 ± 0.0019 Å
• b: 22.628 ± 0.003 Å
• c: 25.869 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8151 ± 2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No