Information card for entry 4115741

Structure parameters

• Formula: C38 H65 Cl N2 Si2 W
• Calculated formula: C38 H65 Cl N2 Si2 W
• SMILES: [W]1(N[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(=N[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(=C1c1ccccc1)c1ccccc1)Cl
• Title of publication: Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation
• Authors of publication: Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 10571 - 10583
• a: 14.393 ± 0.002 Å
• b: 17.903 ± 0.003 Å
• c: 17.057 ± 0.002 Å
• α: 90°
• β: 110.903 ± 0.003°
• γ: 90°
• Cell volume: 4105.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0656
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No