Information card for entry 7115618

Structure parameters

• Formula: C70 H109 N2 Nd O6
• Calculated formula: C70 H101 N2 Nd O6
• 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: 11.57 ± 0.0009 Å
• b: 13.0084 ± 0.0009 Å
• c: 24.217 ± 0.002 Å
• α: 80.278 ± 0.005°
• β: 84.826 ± 0.005°
• γ: 74.115 ± 0.005°
• Cell volume: 3451.6 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No