Information card for entry 7034497

Structure parameters

• Formula: C141 H165.6 Eu6 N13 O71.3 Zn6
• Calculated formula: C138 H138 Eu6 N12 O60 Zn6
• SMILES: C[O]1c2cccc3c2[O]2[Zn]456[N](=C3)CCC[N]4=Cc3cccc4[O](C)[Eu]78912([O]5c34)(OC1=[O][Eu]2345%10([O]=C%11C(=[O][Eu]%12%13%14%15%16([O]=C%17C(=[O][Eu]%18%19%20%21%22([O]%23c%24c(cccc%24C=[N]%24CCC[N]%25=Cc%26cccc([O]%20C)c%26[O]%18[Zn]%23%24%25OC(C)=[O]%22)[O]%19C)(OC%18=[O][Eu]%19%20%22%23%24(OC%18=[O]%21)([O]=C%18C(=[O][Eu]%21%25%26%27%28([O]=C(C(=[O]9)O%21)O8)(O%18)[O]8c9c(cccc9C=[N]9CCC[N]%18=Cc%21cccc(c%21[O]%25[Zn]89%18OC(C)=[O]%28)[O]%27C)[O]%26C)O%19)[O]8c9c(C=[N]%18CCC[N]%19=Cc%21cccc(c%21[O]%20[Zn]8%18%19OC(C)=[O]%24)[O]%23C)cccc9[O]%22C)O%17)O%12)(O%11)[O]8c9c(cccc9C=[N]9CCC[N]%11=Cc%12cccc(c%12[O]%13[Zn]89%11OC(C)=[O]%16)[O]%15C)[O]%14C)O2)([O]2c8c(cccc8C=[N]8CCC[N]9=Cc%11cccc(c%11[O]4[Zn]289OC(C)=[O]%10)[O]5C)[O]3C)OC1=[O]7)[O]=C(C)O6
• Title of publication: Ascorbic acid decomposition into oxalate ions: a simple synthetic route towards oxalato-bridged heterometallic 3d-4f clusters.
• Authors of publication: Dinca, Alina S.; Shova, Sergiu; Ion, Adrian E.; Maxim, Catalin; Lloret, Francesc; Julve, Miguel; Andruh, Marius
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7148 - 7151
• a: 15.3521 ± 0.0011 Å
• b: 26.8468 ± 0.0017 Å
• c: 24.981 ± 0.002 Å
• α: 90°
• β: 91.157 ± 0.007°
• γ: 90°
• Cell volume: 10293.9 ± 1.3 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.211
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No