Information card for entry 4076682

Structure parameters

• Formula: C240 H272 Cl2 Li2 N16 O18 Yb8
• Calculated formula: C240 H272 Cl2 Li2 N16 O18 Yb8
• SMILES: [Yb]123456789%10%11%12[Cl][Yb]%13%14%15%16%17%18%19%20%21%22([n]%233[cH]9[cH]%10[cH]%11[c]%12%23C([c]3%18[cH]%17[cH]%16[cH]%15[n]4%133)(c3ccccc3)c3ccccc3)[n]34[Yb]9%10%11%12%13%15%16%17%18([n]%23%14[cH]%10[cH]%11[cH]%12[c]%13%23C([c]%224[cH]%21[cH]%20[cH]%193)(c3ccccc3)c3ccccc3)[n]34[Yb]%10%11%12%13%14%19%20%21%22([n]%239[cH]%10[cH]%11[cH]%12[c]%13%23C([c]%184[cH]%17[cH]%16[cH]%153)(c3ccccc3)c3ccccc3)[n]34[Yb]9%10%11%12%13%15%16%17%18%23([Cl][Yb]%24%25%26%27%28%29%30%31%32%33([n]%349[cH]%16[cH]%17[cH]%18[c]%23%34C([c]9%29[cH]%28[cH]%27[cH]%26[n]%10%249)(c9ccccc9)c9ccccc9)[n]9%10[Yb]%16%17%18%23%24%26%27%28%29([n]%34%25[cH]%17[cH]%18[cH]%23[c]%24%34C([c]%33%10[cH]%32[cH]%31[cH]%309)(c9ccccc9)c9ccccc9)[n]9%10[Yb]%17%18%23%24%25%30%31%32%33([n]%341[cH]%18[cH]%23[cH]%24[c]%25%34C([c]18[n]2%17[cH]5[cH]6[cH]71)(c1ccccc1)c1ccccc1)[n]1%16[cH]%30[cH]%31[cH]%32[c]%331C([c]%29%10[cH]%28[cH]%27[cH]%269)(c1ccccc1)c1ccccc1)[n]1%14[cH]%11[cH]%12[cH]%13[c]%151C([c]%224[cH]%21[cH]%20[cH]%193)(c1ccccc1)c1ccccc1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Cyclic Di- and Mixed-Valent Ytterbium Complexes Supported by Dipyrrolide Ligands
• Authors of publication: Freckmann, Dominique M. M.; Dubé, Tiffany; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1240 - 1246
• a: 17.254 ± 0.004 Å
• b: 19.145 ± 0.004 Å
• c: 19.659 ± 0.004 Å
• α: 61.167 ± 0.005°
• β: 84.757 ± 0.004°
• γ: 74.114 ± 0.004°
• Cell volume: 5465 ± 2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 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: 0.1158
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No