Information card for entry 4106587

Structure parameters

• Formula: C42 H50 B12 Cl16 Fe2 Si2
• Calculated formula: C42 H50 B12 Cl16 Fe2 Si2
• SMILES: [Fe]123456789([Si]([c]%101[cH]2[cH]3[cH]4[cH]5%10)(C)C(C)(C)C)[cH]1[cH]6[cH]7[cH]8[cH]91.[Fe]123456789([Si]([c]%101[cH]2[cH]3[cH]4[cH]5%10)(C)C(C)(C)C)[cH]1[cH]6[cH]7[cH]8[cH]91.[B]1234([B]567([B]893([B]3%101([B]1%112([B]245([B]451([B]1%12%13([B]68([B]7241Cl)([B]9%10%13([B]3%115%12Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl.c1(ccccc1Cl)Cl.c1(c(cccc1)Cl)Cl
• Title of publication: A Unique Transition Metal-Stabilized Silicon Cation
• Authors of publication: Kristine Müther; Roland Fröhlich; Christian Mück-Lichtenfeld; Stefan Grimme; Martin Oestreich
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12442 - 12444
• a: 13.5158 ± 0.0003 Å
• b: 17.0228 ± 0.0003 Å
• c: 26.8741 ± 0.0005 Å
• α: 90°
• β: 95.909 ± 0.001°
• γ: 90°
• Cell volume: 6150.3 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.1344
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.2951
• Weighted residual factors for all reflections included in the refinement: 0.3307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No