Information card for entry 7038902

Structure parameters

• Formula: C108 H136 Eu6 N18 O58 Zn6
• Calculated formula: C108 H136 Eu6 N18 O58 Zn6
• SMILES: C1C[N]2=Cc3c([OH][Zn]42([O]2c5c(C6NCC[N]7=Cc8c(O[Zn]97([O]7c%10c(C%11NCC[N]%12[Zn]%13([O]%14c%15c(C(N1)=[O][Eu]1%16%17%18%14([O]%14[Eu]%19%20%212([O]=6)([O]41)([O]9[Eu]127%14([O]=%11)([O]%13%16)([O]%17%19=N4=[O]%18[Eu]679%11%13([O]=C%14c%16c(cccc%16)[O]6[Zn]6%16([N](CCNC%17=[O][Eu]%18%19%22%23([O]2N(=[O]1)=[O]%23)([O](c1c%17cccc1)[Zn]12([N](CCNC%17=[O][Eu]%23%24([O]%20N(=[O]%21)=[O]%24)([O](c%20c%17cccc%20)[Zn]%17([N](CCN%14)=Cc%14c([OH]%17)cccc%14)([O]9%23)[OH]C)([O]7%18)([O]%192)([O]4%13%22)[OH]C)=Cc2c(O1)cccc2)[OH]C)([O]%11%16)[OH]C)=Cc1c(O6)cccc1)[OH]C)([OH]C)[OH2])[OH]C)[OH]C)([OH]C)[OH2])cccc%15)(Oc1c(C=%12)cccc1)[OH]C)cccc%10)[OH]C)cccc8)cccc5)[OH]C)cccc3.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Two dodecanuclear heterometallic [Zn6Ln6] clusters constructed by a multidentate salicylamide salen-like ligand: synthesis, structure, luminescence and magnetic properties.
• Authors of publication: Song, Xue-Qin; Liu, Pan-Pan; Liu, Yuan-Ang; Zhou, Jing-Jing; Wang, Xiao-Long
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 8154 - 8163
• a: 26.7651 ± 0.001 Å
• b: 19.1607 ± 0.001 Å
• c: 31.6947 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16254.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1715
• Residual factor for significantly intense reflections: 0.1042
• Weighted residual factors for significantly intense reflections: 0.2349
• Weighted residual factors for all reflections included in the refinement: 0.2755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No