Information card for entry 4342672

Structure parameters

• Formula: C39 H62 N2 O Si Sm
• Calculated formula: C39 H62 N2 O Si Sm
• SMILES: [Sm]12345678([Si]9([N](C(C)(C)C)=C(N9C(C)(C)C)c9ccccc9)OC(C)(C)C)([c]9([c]4([c]2([c]3([c]19C)C)C)C)C)[c]1([c]5(C)[c]6([c]7(C)[c]81C)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: 14.24887 ± 0.00019 Å
• b: 16.5538 ± 0.0002 Å
• c: 16.6349 ± 0.0002 Å
• α: 90°
• β: 92.5232 ± 0.0012°
• γ: 90°
• Cell volume: 3919.92 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No