Information card for entry 4066590

Structure parameters

• Formula: C50 H78 I N3 O5 Sm
• Calculated formula: C50 H78 I N3 O5 Sm
• SMILES: c12ccc3C=[N](c4c(cccc4C(C)C)C(C)C)[Sm]([N](=C1)c1c(cccc1C(C)C)C(C)C)(n23)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)I.C1CCCO1.C1CCCO1
• 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: 15.174 ± 0.003 Å
• b: 31.689 ± 0.006 Å
• c: 11.265 ± 0.002 Å
• α: 90°
• β: 108.06 ± 0.03°
• γ: 90°
• Cell volume: 5149.9 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0925
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No