Information card for entry 4111159

Structure parameters

• Common name: [LZn2La(OAc)3] 2CHCl3
• Formula: C36 H37 Cl6 La N4 O16 Zn2
• Calculated formula: C36 H37 Cl6 La N4 O16 Zn2
• SMILES: [La]12345678([O]9[Zn]%10%11([O]4c4c%12c(C=[N]%13[Zn]%14([O]1c1c(cccc1[O]2C)C=[N]%14OCCO%13)([O]3%12)[O]=C(O5)C)ccc4C=[N]%11OCCO[N]%10=Cc1c9c(ccc1)[O]6C)[O]=C(O8)C)[O]=C(O7)C.ClC(Cl)Cl.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: 10.585 ± 0.004 Å
• b: 12.885 ± 0.004 Å
• c: 33.765 ± 0.011 Å
• α: 90°
• β: 98.928 ± 0.004°
• γ: 90°
• Cell volume: 4549 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No