Information card for entry 7002929

Structure parameters

• Common name: 1
• Formula: C90 H130 N4 Nd10 O66
• Calculated formula: C90 H130 N4 Nd10 O66
• SMILES: c12c3cccc1[O]([Nd]145678([O]2[Nd]29%10%11%12([N](=C3)C(C[OH]2)(C[OH]9)CO)([O]=C(O[Nd]239%13%14%15([O]%11C(C)=[O]2)([OH]C)[O]%12=C2[O]6[Nd]6%11%12%16([O]4C(C)=[O]7)(OC(=[O]%11)C)([O]47CC%11([N]%17=Cc%18c([O]9[Nd]9%19%204%17([O]32)([O]23CC4([N]%17=Cc%21c%22[O]%23[Nd]%24%25%26%27%28%29([O](c%22ccc%21)C)([O]=C(C)O[Nd]%21%22%30%31%32%33([N](=Cc%34c%35c(ccc%34)[O](C)[Nd]%34%36%37%38([O]%21%35)([O]%31C(C)=[O]%32)([O]=C(C)[O]%34[Nd]%21%31%322([O]%19(C%11)[Nd]73%17%23([O]69C4)([O]%27C(C)=[O]%26)([O]%29=C([O]%38%31)[O]%28%33)[O]%12C(=[O]%16)C)([O]=C(C)O%37)(OC(=[O]%21)C)[O]%20C(=[O]%32)C)OC(=[O]%36)C)C(C[OH]%22)(C[OH]%30)CO)[O]%24C(C)=[O]%25)[OH]C)CO)[O]%15C(C)=[O]%14)c([O]%13C)ccc%18)CO)[O]=C(C)O8)C)[O]1C(C)=[O]%10)OC(=[O]5)C)C.OC.CO
• 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: 17.7032 ± 0.0009 Å
• b: 26.5462 ± 0.0013 Å
• c: 26.6553 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12526.7 ± 1.1 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: 0.0549
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No