Information card for entry 7002216

Structure parameters

• Formula: C96 H72 Cl6 Eu2 N18 Na2 O16
• Calculated formula: C96 H72 Cl6 Eu2 N18 Na2 O16
• SMILES: c1ccccc1C1=Nc2[n]([n]3c(o2)c2ccccc2)[Eu]245([n]6[n]7c(oc6N=C(O2)c2ccccc2)c2ccccc2)([n]2nc(oc2N=C([O]52)c5ccccc5)c5ccccc5)(O1)[OH]([Na]137[OH]CC)[Eu]356([n]7c(N=C(c8ccccc8)[O]15)oc(n7)c1ccccc1)([n]1[n]5c(oc1N=C(O6)c1ccccc1)c1ccccc1)([n]1[n]6c(oc1N=C(O3)c1ccccc1)c1ccccc1)[OH]4[Na]256[O]CC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis, structures, photo- and electro-luminescent properties of novel oxadiazole-functionlized europium(iii) benzamide complexes
• Authors of publication: Zhang, Fuli; Hou, Yanhui; Du, Chenxia; Wu, Yangjie
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 36
• Pages of publication: 7359 - 7367
• a: 38.557 ± 0.006 Å
• b: 38.557 ± 0.006 Å
• c: 13.363 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19866 ± 6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No