Information card for entry 7714052

Structure parameters

• Formula: C63 H106 K N7 O6 Si11
• Calculated formula: C63 H106 K N7 O6 Si11
• SMILES: [K]1234567[O]8CC[N]97CC[O]3CC[O]2CC[N]6(CC[O]1CC8)CC[O]5CC[O]4CC9.[Si]12[Si]34([Si]5[Si]613([Si]([Si]2456N([Si](C)(C)C)c1ccccc1)(N([Si](C)(C)C)c1ccccc1)N([Si](C)(C)C)c1ccccc1)N([Si](C)(C)C)c1ccccc1)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: 13.6587 ± 0.0004 Å
• b: 15.9267 ± 0.0005 Å
• c: 21.2413 ± 0.0006 Å
• α: 78.525 ± 0.001°
• β: 73.577 ± 0.001°
• γ: 72.844 ± 0.001°
• Cell volume: 4201.3 ± 0.2 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: 0.0457
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No