Information card for entry 4103837

Structure parameters

• Chemical name: Cp2WSi4(SiMetBu2)
• Formula: C52 H108 Si8 W
• Calculated formula: C52 H108 Si8 W
• SMILES: [W]12345678(=[Si]9[Si]%10([Si]([Si]9%10[Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51.CCCCCC
• Title of publication: Base-Free Molybdenum and Tungsten Bicyclic Silylene Complexes Stabilized by a Homoaromatic Contribution
• Authors of publication: Kazunori Takanashi; Vladimir Ya. Lee; Taka Yokoyama; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 916 - 917
• a: 11.746 ± 0.0005 Å
• b: 13.361 ± 0.0003 Å
• c: 41.32 ± 0.0013 Å
• α: 90°
• β: 106.1 ± 0.002°
• γ: 90°
• Cell volume: 6230.4 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0786
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No