Information card for entry 1565662

Structure parameters

• Formula: C34 H68 B Ce O2 Si2
• Calculated formula: C34 H68 B Ce O2 Si2
• SMILES: [Ce]1234567([O]8CCCC8)([O]8CCCC8)[C]8(=[CH]7[CH]6=[CH]5[CH]4=[C]3([Si](C(C)C)(C(C)C)C(C)C)[CH]2=[CH]18)[Si](C(C)C)(C(C)C)C(C)C.[BH4-]
• 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: 7.4686 ± 0.0005 Å
• b: 26.405 ± 0.002 Å
• c: 19.52 ± 0.0011 Å
• α: 90°
• β: 97.925 ± 0.005°
• γ: 90°
• Cell volume: 3812.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0441
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No