Information card for entry 4342669

Structure parameters

• Formula: C71 H143 K2 O16 Si8 Tb
• Calculated formula: C71 H143 K2 O16 Si8 Tb
• SMILES: [Tb]123456789([Si]([Si]([Si]([Si]1([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([cH]1[cH]2[cH]8[cH]9[cH]71)[cH]1[cH]6[cH]4[cH]5[cH]31.[K]12345[O]6CC[O]3CC[O]5CC[O]1CC[O]2CC[O]4CC6.[K]12345[O]6CC[O]4CC[O]3CC[O]5CC[O]1CC[O]2CC6.[cH]1[cH][cH][cH][cH-]1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• 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: 13.355 ± 0.003 Å
• b: 19.038 ± 0.004 Å
• c: 19.563 ± 0.004 Å
• α: 70.3 ± 0.03°
• β: 77.9 ± 0.03°
• γ: 88.55 ± 0.03°
• Cell volume: 4573 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No