Information card for entry 7203008

Structure parameters

• Formula: C18 H36 N6 O24 S6 Yb2
• Calculated formula: C18 H36 N6 O24 S6 Yb2
• SMILES: C12=[O][Yb]345(O1)([OH2])([OH2])([OH2])[O]=C(O4)CSc1nc(SC2)nc(n1)SCC1=[O][Yb]246(O1)([OH2])([OH2])([OH2])[O]=C(O6)CSc1nc(nc(n1)SCC(=[O]2)O4)SCC(=[O]3)O5.O.O.O.O.O.O
• Title of publication: Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand
• Authors of publication: Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1051
• a: 8.535 ± 0.005 Å
• b: 10.872 ± 0.006 Å
• c: 10.939 ± 0.006 Å
• α: 70.189 ± 0.008°
• β: 86.112 ± 0.01°
• γ: 79.489 ± 0.008°
• Cell volume: 938.9 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No