Information card for entry 7054123

Structure parameters

• Formula: C84.33 H78.33 Cl F21 N0 O8 P2 Yb
• Calculated formula: C78 H69 F21 O8 P2 Yb
• SMILES: FC(F)(C(C1=C2C([C@]3(C)CC[C@H]2[C@@]3(C)C)=[O][Yb]23([O]=C4C(=C(C(C(C(F)(F)F)(F)F)(F)F)O2)[C@H]2CC[C@]4(C)C2(C)C)(O1)([O]=C1C(=C(C(C(C(F)(F)F)(F)F)(F)F)O3)[C@H]2CC[C@]1(C)C2(C)C)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(F)F)C(F)(F)F
• Title of publication: Structure–chiroptical property relationship of kinetically labile camphor-derivative β-diketone Yb(iii) complexes: do the adducts coexist as diastereomers or not?
• Authors of publication: Lin, Yiji; Wan, Shigang; Zou, Fang; Wang, Yuekui; Zhang, Hui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 2584
• a: 14.8 ± 0.003 Å
• b: 14.8 ± 0.003 Å
• c: 34.447 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6534 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7052779
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No