Information card for entry 7228116

Structure parameters

• Formula: C94 H114 Eu4 N10 O42 Zn2
• Calculated formula: C94 H114 Eu4 N10 O42 Zn2
• SMILES: C12=[O][Eu]34567([O]8c9c(C=[O]5)cccc9[O](C)[Eu]59%10%118([O]3[Zn]38([N](CCN1)=Cc1cccc(OC)c1O3)[N](CCNC(=[O]9)c1ccc(OC)cc1O5)=Cc1cccc(c1[O]%108)OC)[O]1c3cc(ccc3C3=[O][Eu]5891([O]=Cc1cccc%10c1[O]5[Eu]15%12([O]4c4cc(ccc24)OC)(Oc2c(ccc(OC)c2)C(NCC[N]2=Cc4cccc(c4[O]5[Zn]42([N](CCN3)=Cc2cccc(OC)c2O4)[O]8%12)OC)=[O]1)([O]%10C)[OH]69)([OH]7%11)[OH]C)OC)[OH]C.N(=O)(=O)[O-].CO.CO.N(=O)(=O)[O-].CO.CO
• Title of publication: Three sandwich-type zinc(ii)‒lanthanide(iii) clusters: structures, luminescence and magnetic properties
• Authors of publication: Song, Xue-Qin; Liu, Pan-Pan; Wang, Cai-yun; Liu, Yuan-An; Liu, Wei-Sheng; Zhang, Mo
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 37
• Pages of publication: 22692
• a: 16.6693 ± 0.0005 Å
• b: 17.1718 ± 0.0005 Å
• c: 20.9256 ± 0.0007 Å
• α: 90°
• β: 102.355 ± 0.003°
• γ: 90°
• Cell volume: 5851.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0916
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No