Information card for entry 4111172

Structure parameters

• Common name: [LZn2Lu(OAc)3(H2O)]
• Formula: C37 H43 Lu N4 O18 Zn2
• Calculated formula: C37 H43 Lu N4 O18 Zn2
• SMILES: [Lu]12345([O]6[Zn]78([O]1c1c(cccc1[O]2C)C=[N]8OCCO[N]7=Cc1c6c2c(cc1)C=[N]1[Zn]6([O]42)([N](OCCO1)=Cc1c(c(ccc1)OC)O6)[O]=C(O3)C)OC(=O)C)([O]=C(O5)C)[OH2].O=C(C)C
• 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: 13.675 ± 0.008 Å
• b: 15.847 ± 0.008 Å
• c: 18.766 ± 0.01 Å
• α: 90°
• β: 95.454 ± 0.008°
• γ: 90°
• Cell volume: 4048 ± 4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.1172
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No