Information card for entry 7705684

Structure parameters

• Formula: C85 H68 N2 Sm
• Calculated formula: C85 H68 N2 Sm
• SMILES: [Sm]1N(C4=C(N1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1c2c4cccc2ccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1.c1(ccccc1)C
• 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: 13.0258 ± 0.0007 Å
• b: 18.9888 ± 0.0011 Å
• c: 13.8042 ± 0.0008 Å
• α: 90°
• β: 113.24 ± 0.0017°
• γ: 90°
• Cell volume: 3137.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No