Information card for entry 4076679

Structure parameters

• Formula: C168 H128 N16 Yb8
• Calculated formula: C168 H128 N16 Yb8
• SMILES: [CH]12=[CH]3[CH]4=[C]56C([C]78=[CH]9[CH]%10=[CH]%11[N]%127[Yb]7%13%14%15%16%17%18%1989%10%11[N]15[Yb]1589%10%112346%12%18[N]23[CH]5=[CH]8[CH]9=[C]%102C([C]24[N]51[CH]1=[CH]6[CH]=2[Yb]289%10%12%18%1134516[CH]1=[CH]2[CH]8=[C]29C([C]34=[CH]5[CH]6=[CH]8[N]%103[Yb]39%10%11%20%21%184568([N]%1212)[N]12[CH]9=[CH]%10[CH]%11=[C]%201C([C]14[N]53[CH]3=[CH]6[CH]=1[Yb]189%10%11%12%2124536[CH]2=[CH]1[CH]8=[C]19C([C]34=[CH]5[CH]6=[CH]8[N]%103[Yb]39%10%18%20%21%124568([N]%1121)[N]12[CH]9=[CH]%10[CH]%18=[C]%201C([C]14[N]53[CH]3=[CH]6[CH]=1[Yb]189%10%11%12%2124536[CH]2=[CH]1[CH]8=[C]19C([C]34=[CH]5[CH]6=[CH]8[N]%103[Yb]39%10%18%20%19%124568([N]47[CH]9=[CH]%10[CH]%18=[C]%204C([C]4%17[N]%133[CH]%14=[CH]%15[CH]%16=4)(c3ccccc3)c3ccccc3)[N]%1121)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 26.859 ± 0.003 Å
• b: 26.859 ± 0.003 Å
• c: 24.152 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17423 ± 4 ų
• Cell temperature: 236 ± 2 K
• Ambient diffraction temperature: 236 ± 2 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No