Information card for entry 4076680

Structure parameters

• Formula: C116 H128 K2 N9 O8 Yb4
• Calculated formula: C116 H128 K2 N9 O8 Yb4
• SMILES: [Yb]123456789%10%11%12[n]%13%14[Yb]%15%16%17%18%19%20%21%22%23%24([n]%251[cH]%16[cH]%17[cH]%18[c]%19%25C([c]7%14[cH]6[cH]5[cH]4%13)(c1ccccc1)c1ccccc1)[n]14[cH]5[cH]6[cH]7[c]%131C(c1ccccc1)([c]1%24[cH]%23[cH]%22[cH]%21[n]%201[Yb]1%14%16%17%18%194567%13[n]3%15[Yb]34567%13%15%20%21%22([n]%232[cH]8[cH]9[cH]%10[c]%11%23C(c2ccccc2)([c]2%22[cH]%21[cH]%20[cH]%15[n]%1242)c2ccccc2)[n]21[cH]5[cH]6[cH]7[c]%132C([c]1%19[cH]%18[cH]%17[cH]%16[N]%1431)(c1ccccc1)c1ccccc1)c1ccccc1.[K]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.[K]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.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: 26.131 ± 0.007 Å
• b: 17.197 ± 0.005 Å
• c: 25.325 ± 0.007 Å
• α: 90°
• β: 109.186 ± 0.005°
• γ: 90°
• Cell volume: 10748 ± 5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No