Information card for entry 4333478

Structure parameters

• Common name: LZn2La(OAc)3(CHCl3)
• Formula: C39 H40 Cl3 La N4 O16 Zn2
• Calculated formula: C39 H40 Cl3 La N4 O16 Zn2
• SMILES: [La]12345678[O]9[Zn]%10%11([O]1c1c(cccc1[O]2CC=C)C=[N]%11OCCO[N]%10=Cc1c9c2c(cc1)C=[N]1[Zn]9([O]25)([N](OCCO1)=Cc1c(c(ccc1)[O]7CC=C)[O]69)[O]=C(O3)C)([O]=C(O8)C)OC(=[O]4)C.ClC(Cl)Cl
• Title of publication: Oligometallic Template Strategy for Ring-Closing Olefin Metathesis: Highly Cis- and Trans-Selective Synthesis of a 32-Membered Macrocyclic Tetraoxime
• Authors of publication: Akine, Shigehisa; Kagiyama, Satoko; Nabeshima, Tatsuya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9525 - 9527
• a: 12.836 ± 0.005 Å
• b: 13.302 ± 0.005 Å
• c: 14.564 ± 0.005 Å
• α: 115.026 ± 0.014°
• β: 94.16 ± 0.017°
• γ: 93.458 ± 0.017°
• Cell volume: 2235.9 ± 1.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No