Information card for entry 4076683

Structure parameters

• Formula: C64 H80 N8 O3 Yb4
• Calculated formula: C64 H80 N8 O3 Yb4
• SMILES: [Yb]12345678([N]9%10[Yb]%11%12%13%14%15%16%17%18%19%20([N]%211[CH]%13=[CH]%20[CH]%14=[C]%15%21C1(C%10=CC=C9)CCCCC1)[N]19[Yb]%10%13%14%15%20%21([N]%22%11C=CC=C%22C%11([C]%199=[CH]%18[CH]%17=[CH]%161)CCCCC%11)([N]19[Yb]%11%16%17%18%19%22%23%24%25([N]%26%10[CH]%16=[CH]%25[CH]%17=[C]%18%26C%10([C]%219=[CH]%20[CH]%15=[CH]%141)CCCCC%10)([N]12[CH]%19=[CH]%22[CH]%23=[C]%241C1([C]28=[CH]7[CH]6=[CH]5[N]3%112)CCCCC1)[O]4%12%13)[O]1CCCC1)[O]1CCCC1
• 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: 14.183 ± 0.001 Å
• b: 14.065 ± 0.001 Å
• c: 14.911 ± 0.001 Å
• α: 90°
• β: 103.209 ± 0.001°
• γ: 90°
• Cell volume: 2895.8 ± 0.3 ų
• Cell temperature: 236 ± 2 K
• Ambient diffraction temperature: 236 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No