Information card for entry 4111166

Structure parameters

• Common name: [LZn2Tb(OAc)3(MeOH)] (H2O)(Et2O)
• Formula: C39 H51 N4 O19 Tb Zn2
• Calculated formula: C39 H51 N4 O19 Tb Zn2
• SMILES: [Tb]1234567[O]8[Zn]9%10([O]1c1c(cccc1[O]2C)C=[N]%10OCCO[N]9=Cc1c8c2c(cc1)C=[N]1[Zn]8([O]52)([N](OCCO1)=Cc1c(c(ccc1)[O]7C)[O]68)([O]=C(O3)C)OC(=O)C)[O]=C(O4)C.OC.O.O(CC)CC
• 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: 12.948 ± 0.009 Å
• b: 13.222 ± 0.008 Å
• c: 13.435 ± 0.008 Å
• α: 73.867 ± 0.019°
• β: 83.2 ± 0.02°
• γ: 86.92 ± 0.02°
• Cell volume: 2193 ± 2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0621
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No