Information card for entry 8000049

Structure parameters

• Formula: C27 H36 N2 O2 Si W
• Calculated formula: C27 H36 N2 O2 Si W
• SMILES: [W]1234(C#[O])(C#[O])([Si](C)(C)[n+]5ccc(cc5)N(C)C)(c5ccccc5)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Reversible 1,2-Migration of Aryl Groups on Silyl Ligands: Formation and Properties of Silylenetungsten Complexes Stabilized by an External Base
• Authors of publication: Eiji Suzuki; Masaaki Okazaki; Hiromi Tobita
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1026
• a: 9.3757 ± 0.0005 Å
• b: 14.2704 ± 0.0012 Å
• c: 21.028 ± 0.001 Å
• α: 84.401 ± 0.002°
• β: 79.749 ± 0.004°
• γ: 72.982 ± 0.003°
• Cell volume: 2644.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1278
• Residual factor for significantly intense reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.2395
• Weighted residual factors for all reflections included in the refinement: 0.2528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No