Information card for entry 7705686

Structure parameters

• Formula: C82 H70 N2 O2 Sm
• Calculated formula: C82 H70 N2 O2 Sm
• SMILES: [Sm]1234N(C5=C(N1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1c6c5cccc6ccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C([c]12ccc[cH]4[cH]31)c1ccccc1.O(C)CCOC
• Title of publication: Low-coordinate Sm(II) and Yb(II) complexes derived from sterically-hindered 1,2-bis(imino)acenaphthene (Ar^BIG-bian).
• Authors of publication: Lukina, Daria A.; Skatova, Alexandra A.; Sokolov, Vladimir G.; Baranov, Evgenii V.; Demeshko, Serhiy; Ketkov, Sergey Yu; Fedushkin, Igor L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14445 - 14451
• a: 13.7407 ± 0.0011 Å
• b: 18.7955 ± 0.0017 Å
• c: 24.607 ± 0.002 Å
• α: 90°
• β: 104.497 ± 0.003°
• γ: 90°
• Cell volume: 6152.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0938
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No