Information card for entry 4342673

Structure parameters

• Formula: C45 H66 N2 O Si Sm
• Calculated formula: C45 H66 N2 O Si Sm
• SMILES: [Sm]12345678([Si]9([N](C(C)(C)C)=C(N9C(C)(C)C)c9ccccc9)Oc9c(cccc9)C(C)(C)C)([c]9([c]1([c]3([c]2([c]49C)C)C)C)C)[c]1([c]8([c]6([c]5([c]71C)C)C)C)C
• Title of publication: Open-Shell Lanthanide(II+) or -(III+) Complexes Bearing σ-Silyl and Silylene Ligands: Synthesis, Structure, and Bonding Analysis.
• Authors of publication: Zitz, Rainer; Arp, Henning; Hlina, Johann; Walewska, Małgorzata; Marschner, Christoph; Szilvási, Tibor; Blom, Burgert; Baumgartner, Judith
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3306 - 3315
• a: 10.8047 ± 0.0003 Å
• b: 14.4714 ± 0.0004 Å
• c: 28.0424 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4384.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No