Information card for entry 4076732

Structure parameters

• Formula: C32 H48 K2 N4 O2 Yb
• Calculated formula: C32 H48 K2 N4 O2 Yb
• SMILES: [K+].Cc1ccc(C)n1[Yb](n1c(C)ccc1C)(n1c(C)ccc1C)n1c(C)ccc1C.O1CCCC1.[K+].O1CCCC1
• 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: 11.244 ± 0.002 Å
• b: 15.124 ± 0.002 Å
• c: 10.302 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1751.9 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No