Information card for entry 7114056

Structure parameters

• Chemical name: [W{(2-C5NH4)C(Me)(CH2NSiMe3)2}(NPh)Me2]
• Formula: C23 H40 N4 Si2 W
• Calculated formula: C23 H40 N4 Si2 W
• SMILES: [W]12(=Nc3ccccc3)(N([Si](C)(C)C)CC(c3[n]2cccc3)(C)CN1[Si](C)(C)C)(C)C
• Title of publication: Synthesis and reactivity of the imidotungsten methyl cation [W(N2Npy)(NPh)Me]+: CO2 adds to the W???NPh bond and does not insert into the W???Me bondElectronic supplementary information (ESI) available: crystal data for 2, DFT/computational notes, supporting characterising data and selected experimental details for the new compounds. See http://www.rsc.org/suppdata/cc/b2/b208327b/
• Authors of publication: Ward, Benjamin D.; Clot, Eric; Dubberley, Stuart R.; Gade, Lutz H.; Mountford, Philip
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 2618
• a: 10.6452 ± 0.0002 Å
• b: 16.4633 ± 0.0003 Å
• c: 15.2794 ± 0.0002 Å
• α: 90°
• β: 91.659 ± 0.001°
• γ: 90°
• Cell volume: 2676.67 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0227
• Weighted residual factors for all reflections included in the refinement: 0.0106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No