Information card for entry 7120149

Structure parameters

• Formula: C48 H251 Cu24 Dy6 N24 Na O151
• Calculated formula: C48 Cu24 Dy6 N12 Na O86
• SMILES: [Dy]123456([O]7[Cu]89%10[O]1[Cu]1%11%12[O]%13[Dy]%14%15%16%17%18([O]%19[Cu]%20%21([O]%11%14)[O]%11[Dy]%14%22%23%24%25([O]%26[Cu]%27([O]%23[Cu]%23([O]%22C(=[O]%21)C(C)[NH2]%23)[O]=C(O%27)C)[NH2]C(C)C%26=[O][Cu]%21%22%11[O]%11[Dy]%23%26%27%28%29([O]%21[Cu]%21%30%31[O]%32[Dy]%33%34%35%36%37([O]%38[Cu]%397([O]5[Cu]([O]21)([O]%20%14)([O]=C1[O]4[Cu]2([O]6[Cu]4([O]3C(=[O]%39)C([NH2]4)C)([O]=C(O2)C)[OH2])[NH2]C1C)[O]%24[Cu]%32%38([O]%25%22)[O]=C1[O]%35[Cu]2([NH2]C1C)[O]%36[Cu]1([O]%37C(C([NH2]1)C)=[O]%31)([OH2])[O]=C(O2)C)[O]%33[Cu]12([O]%30%34)[O]%10[Dy]3456([O]7[Cu]%13([O]83)([O]=C3[O]%15[Cu]8([NH2]C3C)[O]%16[Cu]3([O]%17C(C([NH2]3)C)=[O]%12)([OH2])[O]=C(O8)C)[O]%18[Cu]3%19%11[O]%28[Cu]7([O]%23%21)([O]14)[O]=C1[O]%27[Cu]4([O]%29[Cu]7([O]%26C(=[O]3)C([NH2]7)C)([O]=C(O4)C)[OH2])[NH2]C1C)([O]1C(=[O]9)C(C)[NH2][Cu]31[O]6[Cu]1([O]5C(=[O]2)C(C)[NH2]1)[O]=C(O3)C)([OH2])[OH2])([OH2])[OH2])([OH2])[OH2])([OH2])[OH2])([OH2])[OH2])([OH2])[OH2].[Na+].O.O.O.O
• Title of publication: Cluster-based MOFs with accelerated chemical conversion of CO2 through C‒C bond formation
• Authors of publication: Xiong, Gang; Yu, Bing; Dong, Jie; Shi, Ying; Zhao, Bin; He, Liang-Nian
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 17.0964 ± 0.0007 Å
• b: 17.8161 ± 0.0007 Å
• c: 17.8597 ± 0.0007 Å
• α: 87.132 ± 0.003°
• β: 71.317 ± 0.004°
• γ: 64.3 ± 0.004°
• Cell volume: 4618.2 ± 0.4 ų
• Cell temperature: 125.2 ± 0.4 K
• Ambient diffraction temperature: 125.2 ± 0.4 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No