Information card for entry 1565664

Structure parameters

• Formula: C34 H68 B O2 Si2 Sm
• Calculated formula: C34 H68 B O2 Si2 Sm
• SMILES: [Sm]123456789([H][BH]([H]1)[H]2)([O]1CCCC1)([O]1CCCC1)[C]1([Si](C(C)C)(C(C)C)C(C)C)=[CH]3[CH]4=[CH]5[CH]6=[C]7([Si](C(C)C)(C(C)C)C(C)C)[CH]8=[CH]91
• Title of publication: Introduction of plumbole to f-element chemistry
• Authors of publication: Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 945 - 954
• a: 7.5051 ± 0.0003 Å
• b: 26.3267 ± 0.0009 Å
• c: 19.4417 ± 0.0008 Å
• α: 90°
• β: 98.004 ± 0.003°
• γ: 90°
• Cell volume: 3804 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No