Information card for entry 7052776

Structure parameters

• Formula: C42 H44 F21 N0 O7 Yb
• Calculated formula: C42 H40.5 F21 O7 Yb
• SMILES: C12=C(C(C(C(C(F)(F)F)(F)F)(F)F)=[O][Yb]34([OH2])(O2)([O]=C2C(=C(C(C(C(F)(F)F)(F)F)(F)F)O3)[C@@H]3CC[C@@]2(C)C3(C)C)OC2=C(C(C(C(C(F)(F)F)(F)F)(F)F)=[O]4)[C@@H]3CC[C@@]2(C)C3(C)C)[C@@H]2CC[C@@]1(C)C2(C)C
• 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: 24.575 ± 0.005 Å
• b: 13.191 ± 0.003 Å
• c: 31.096 ± 0.006 Å
• α: 90°
• β: 91.925 ± 0.004°
• γ: 90°
• Cell volume: 10075 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No