Information card for entry 7054765

Structure parameters

• Formula: C40 H51 Lu N3 O P
• Calculated formula: C40 H51 Lu N3 O P
• SMILES: [Lu]123([N](=C(C)C=C(N1CC[N]2(C)C)C)c1c(cccc1C(C)C)C(C)C)([O]=P(C3)(c1ccccc1)c1ccccc1)c1ccccc1
• 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: 9.591 ± 0.0008 Å
• b: 23.0001 ± 0.0019 Å
• c: 17.0175 ± 0.0015 Å
• α: 90°
• β: 97.618 ± 0.002°
• γ: 90°
• Cell volume: 3720.8 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No