Information card for entry 4076728

Structure parameters

• Formula: C32 H52 Cl2 Li2 N4 O2 Yb2
• Calculated formula: C32 H52 Cl2 Li2 N4 O2 Yb2
• SMILES: [Yb]123456789%10%11[Cl][Yb]%12%13%14%15%16%17%18%19([Cl]%11)([n]%11([Li]([n]%202[c]%10([cH]9[cH]8[c]7%20C)C)[O](CC)CC)[c]%12(C)[cH]%13[cH]%14[c]%15%11C)[n]2([c]%19([cH]%18[cH]%17[c]%162C)C)[Li]([n]21[c]3(C)[cH]4[cH]5[c]62C)[O](CC)CC
• Title of publication: Effect of the Alkali-Metal Cation on the Bonding Mode of 2,5-Dimethylpyrrole in Divalent Samarium and Ytterbium Complexes
• Authors of publication: Ganesan, Mani; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 8
• Pages of publication: 1707 - 1713
• a: 11.475 ± 0.002 Å
• b: 11.541 ± 0.002 Å
• c: 15.711 ± 0.003 Å
• α: 90°
• β: 109.508 ± 0.003°
• γ: 90°
• Cell volume: 1961.2 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4076727
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No