Information card for entry 7054764

Structure parameters

• Formula: C30 H47 N3 P Sc
• Calculated formula: C30 H47 N3 P Sc
• SMILES: [Sc]12(Pc3c(cccc3C)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: 10.7097 ± 0.0015 Å
• b: 13.537 ± 0.002 Å
• c: 20.887 ± 0.003 Å
• α: 90°
• β: 93.806 ± 0.003°
• γ: 90°
• Cell volume: 3021.5 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.1183
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No