Information card for entry 7002930

Structure parameters

• Formula: C88 H126 N4 O66 Pr10
• Calculated formula: C88 H122 N4 O66 Pr10
• SMILES: c12c3cccc1[O](C)[Pr]145678([O]2[Pr]29%10%11%12([N](=C3)C(C[OH]2)(C[OH]9)CO)([O]=C(O[Pr]239%13%14%15([O]%11C(C)=[O]2)([OH]C)[O]%12=C2[O]8[Pr]8%11%12%16([O]%17%18CC%19([N]%20=Cc%21c([O]9[Pr]9%22%23%24%17%20([O]32)([O]23CC%17([N]%20=Cc%25c%26[O]%27[Pr]%28%29%30%31%32%33([O](c%26ccc%25)C)([O]=C(C)O[Pr]%25%26%34%35%36%37([N](=Cc%38c%39c(ccc%38)[O](C)[Pr]%38%40%41%42([O]%25%39)([O]%35C(C)=[O]%36)([O]=C(C)[O]%38[Pr]%25%35%362([O]%22(C%19)[Pr]%18%243%20%27([O]89C%17)([O]%31C(C)=[O]%30)([O]%33=C([O]%32%37)[O]%42%35)[O]%12C(C)=[O]%16)([O]=C(C)O%41)(OC(=[O]%25)C)[O]%23C(C)=[O]%36)[O]=C(C)O%40)C(C[OH]%26)(C[OH]%34)CO)[O]%28C(C)=[O]%29)[OH]C)CO)[O]%15C(C)=[O]%14)c([O]%13C)ccc%21)CO)([O]5C(C)=[O]4)([O]=C(C)O7)OC(=[O]%11)C)C)[O]1C(C)=[O]%10)[O]=C(C)O6.O.O
• Title of publication: Templated assembly of μ5-CO32− decanuclear praseodymium and neodymium clusters through spontaneous fixation of atmospheric carbon dioxide
• Authors of publication: Ke, Hongshan; Zhao, Lang; Xu, Gong-Feng; Guo, Yun-Nan; Tang, Jinkui; Zhang, Xi-Yan; Zhang, Hong-Jie
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10609 - 10613
• a: 17.7601 ± 0.001 Å
• b: 26.4882 ± 0.0015 Å
• c: 26.809 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12611.8 ± 1.2 ų
• Cell temperature: 197 ± 2 K
• Ambient diffraction temperature: 197 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No