Information card for entry 4111171

Structure parameters

• Common name: [LZn2Yb(OAc)3(H2O)] CHCl3
• Formula: C35 H38 Cl3 N4 O17 Yb Zn2
• Calculated formula: C35 H38 Cl3 N4 O17 Yb Zn2
• SMILES: [Yb]12345([O]6c7c(cccc7[O]1C)C=[N]1[Zn]67([N](OCCO1)=Cc1c(c6c(cc1)C=[N]1[Zn]8([O]62)([N](OCCO1)=Cc1c(c(ccc1)OC)O8)[O]=C(O4)C)[O]37)OC(=O)C)([O]=C(O5)C)[OH2].ClC(Cl)Cl
• Title of publication: Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes
• Authors of publication: Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 15765 - 15774
• a: 13.646 ± 0.003 Å
• b: 15.274 ± 0.003 Å
• c: 19.81 ± 0.004 Å
• α: 90°
• β: 95.0519 ± 0.0008°
• γ: 90°
• Cell volume: 4112.9 ± 1.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No