Information card for entry 7220612

Structure parameters

• Formula: C46.5 H57 N8 O18.5 Tb3
• Calculated formula: C44 H47 N8 O16 Tb3
• SMILES: [Tb]1234567([O]8[Tb]9%10%11([O]%12[Tb]%13%14%15%16([O]=C%12C)([O]=C(C)O%13)([O]=C(C)O9)[O]%10c9cccc%10ccc(C=[N]%14CCc%12c[nH]c[n]%15%12)[n]%16c9%10)([O]=C(C)O%11)([O]=C8C)([O]4c4c8c(ccc(C=[N]6CCc6c[nH]c[n]67)[n]18)ccc4)[O]5C(C)=[O]2)OC(=[O]3)C
• Title of publication: Anion-dependent assembly of Dy complexes: structures and magnetic behaviors
• Authors of publication: Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 27
• Pages of publication: 5066
• a: 16.8042 ± 0.0007 Å
• b: 17.6752 ± 0.0006 Å
• c: 19.4071 ± 0.0011 Å
• α: 69.39 ± 0.004°
• β: 82.993 ± 0.004°
• γ: 89.895 ± 0.003°
• Cell volume: 5349.8 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2148
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No