Information card for entry 7706073

Structure parameters

• Formula: C80 H126 N2 Nd2 O14 Zn
• Calculated formula: C80 H126 N2 Nd2 O14 Zn
• SMILES: [Nd]12345(Oc6c(C(C)(C)C)cc(cc6C[N]5(CC[O]2CC[O]1[Zn]1([O]2[Nd]567([O](CC[N]7(Cc7c(O5)c(cc(c7)C(C)(C)C)C(C)(C)C)Cc5c(O6)c(C(C)(C)C)cc(c5)C(C)(C)C)CC2)([O]=C(O1)C)[O]1CCCC1)OC(=[O]3)C)Cc1cc(cc(C(C)(C)C)c1O4)C(C)(C)C)C(C)(C)C)[O]1CCCC1
• Title of publication: Heterobimetallic rare earth metal-zinc catalysts for reactions of epoxides and CO₂ under ambient conditions.
• Authors of publication: Yin, Kuan; Hua, Linyan; Qu, Liye; Yao, Quanyou; Wang, Yaorong; Yuan, Dan; You, Hongpeng; Yao, Yingming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 1453 - 1464
• a: 17.271 ± 0.008 Å
• b: 17.417 ± 0.008 Å
• c: 17.976 ± 0.008 Å
• α: 108.994 ± 0.012°
• β: 93.29 ± 0.014°
• γ: 90.941 ± 0.014°
• Cell volume: 5101 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2021
• Residual factor for significantly intense reflections: 0.1306
• Weighted residual factors for significantly intense reflections: 0.3237
• Weighted residual factors for all reflections included in the refinement: 0.3946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No