Information card for entry 7706075

Structure parameters

• Formula: C80 H126 N2 O14 Sm2 Zn
• Calculated formula: C80 H126 N2 O14 Sm2 Zn
• SMILES: [Sm]12345([O]([Zn]6([O]7[Sm]89%10(Oc%11c(C[N]%10(CC[O]8CC7)Cc7c(O9)c(cc(c7)C(C)(C)C)C(C)(C)C)cc(cc%11C(C)(C)C)C(C)(C)C)([O]7CCCC7)[O]=C(O6)C)OC(=[O]5)C)CC[O]2CC[N]4(Cc2c(O3)c(cc(c2)C(C)(C)C)C(C)(C)C)Cc2c(O1)c(C(C)(C)C)cc(c2)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: 17.005 ± 0.003 Å
• b: 17.245 ± 0.003 Å
• c: 17.816 ± 0.003 Å
• α: 108.783 ± 0.004°
• β: 93.579 ± 0.004°
• γ: 90.473 ± 0.004°
• Cell volume: 4934.5 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.222
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.2735
• Weighted residual factors for all reflections included in the refinement: 0.3316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No