Information card for entry 7115617

Structure parameters

• Formula: C66 H101 N2 O5 Sm
• Calculated formula: C66 H101 N2 O5 Sm
• Title of publication: Catalytic production of cyclic carbonates mediated by lanthanide phenolates under mild conditions
• Authors of publication: Jie Qin; Peng Wang; Qingyan Li; Yong Zhang; Dan Yuan; Yingming Yao
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10952
• a: 13.8842 ± 0.001 Å
• b: 20.6892 ± 0.0017 Å
• c: 22.5022 ± 0.0015 Å
• α: 90°
• β: 91.478 ± 0.002°
• γ: 90°
• Cell volume: 6461.7 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1106
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No