Information card for entry 7714053

Structure parameters

• Formula: C45 H70 Br5 N5 Si12
• Calculated formula: C45 H70 Br5 N5 Si12
• SMILES: Br[Si]12[Si@@](Br)([Si]3([Si@@]2([Si]([Si@@]13N([Si](C)(C)C)c1ccccc1)(N([Si](C)(C)C)c1ccccc1)N([Si](C)(C)C)c1ccccc1)N([Si](C)(C)C)c1ccccc1)[Si](Br)(Br)Br)N([Si](C)(C)C)c1ccccc1.Br[Si]12[Si@](Br)([Si]3([Si@]2([Si]([Si@]13N([Si](C)(C)C)c1ccccc1)(N([Si](C)(C)C)c1ccccc1)N([Si](C)(C)C)c1ccccc1)N([Si](C)(C)C)c1ccccc1)[Si](Br)(Br)Br)N([Si](C)(C)C)c1ccccc1
• Title of publication: Synthesis and Functionalization of the Six-Vertex Anionic Amido-Substituted Silicon Cluster [Si6{N(SiMe3)Ph}5]−
• Authors of publication: Lips, Felicitas; Helmer, Joschua; Hepp, Alexander; Berger, Raphael J. F.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 20.6155 ± 0.0006 Å
• b: 13.5318 ± 0.0004 Å
• c: 23.7454 ± 0.0007 Å
• α: 90°
• β: 111.426 ± 0.001°
• γ: 90°
• Cell volume: 6166.3 ± 0.3 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 5
• 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: 0.0258
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No