Information card for entry 7049064

Structure parameters

• Formula: C70 H82 N16 Nd2 O30 Zn4
• Calculated formula: C70 H82 N16 Nd2 O30 Zn4
• Title of publication: Hexanuclear 3d-4f complexes as efficient catalysts for converting CO₂ into cyclic carbonates.
• Authors of publication: Gao, Guoshu; Wang, Li; Zhang, Ruilian; Xu, Cong; Yang, Huan; Liu, Weisheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 3941 - 3945
• a: 14.1749 ± 0.0005 Å
• b: 20.122 ± 0.0008 Å
• c: 14.541 ± 0.0005 Å
• α: 90°
• β: 91.984 ± 0.003°
• γ: 90°
• Cell volume: 4145 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No