Information card for entry 4066592

Structure parameters

• Formula: C42 H62 I N3 O3 Yb
• Calculated formula: C42 H62 I N3 O3 Yb
• SMILES: c12ccc(/C=N/c3c(cccc3C(C)C)C(C)C)n2[Yb]([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)([N](=C1)c1c(cccc1C(C)C)C(C)C)I
• Title of publication: 2,5-Bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrolyl Complexes of the Divalent Lanthanides: Synthesis and Structures
• Authors of publication: Jenter, Jelena; Gamer, Michael T.; Roesky, Peter W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4410
• a: 18.124 ± 0.004 Å
• b: 14.896 ± 0.003 Å
• c: 17.986 ± 0.004 Å
• α: 90°
• β: 103.69 ± 0.03°
• γ: 90°
• Cell volume: 4717.8 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1972
• Residual factor for significantly intense reflections: 0.1186
• Weighted residual factors for significantly intense reflections: 0.2976
• Weighted residual factors for all reflections included in the refinement: 0.3461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No