Information card for entry 4076726

Structure parameters

• Formula: C34 H56 Cl Li2 N3 O4 Sm
• Calculated formula: C34 H56 Cl Li2 N3 O4 Sm
• SMILES: [Sm]123456789%10%11%12%13%14([Cl][Li]([N]%151[C]%11(=[CH]%12[CH]%13=[C]3%15C)C)([O]1CCCC1)[O]1CCCC1)[N]1([Li]([N]32[C]8(=[CH]9[CH]%14=[C]%103C)C)([O]2CCCC2)[O]2CCCC2)[C]4(=[CH]5[CH]6=[C]71C)C
• 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: 11.307 ± 0.004 Å
• b: 13.137 ± 0.005 Å
• c: 17.091 ± 0.006 Å
• α: 89.778 ± 0.004°
• β: 81.829 ± 0.004°
• γ: 66.946 ± 0.004°
• Cell volume: 2308.5 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1264
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No