Information card for entry 7113024

Structure parameters

• Formula: C37 H58 B3 N3 Nd O3 P
• Calculated formula: C37 H58 B3 N3 Nd O3 P
• SMILES: [Nd]123456([N](=P(N1c1c(cccc1C)C)(c1ccccc1)c1ccccc1)c1[n]([BH]([H]6)[H]2)cccc1)([O]1CCCC1)([O]1CCCC1)([H][BH]([H]3)[H]4)[H][BH2][H]5.O1CCCC1
• Title of publication: Isoprene polymerization with aminopyridinato ligand supported rare-earth metal complexes. Switching of the regio- and stereoselectivity.
• Authors of publication: Yang, Yi; Lv, Kui; Wang, Lingfang; Wang, Yang; Cui, Dongmei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 33
• Pages of publication: 6150 - 6152
• a: 9.5888 ± 0.0005 Å
• b: 13.5918 ± 0.0008 Å
• c: 17.0238 ± 0.0009 Å
• α: 75.072 ± 0.001°
• β: 87.948 ± 0.001°
• γ: 69.644 ± 0.001°
• Cell volume: 2006.39 ± 0.19 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No