Information card for entry 4115740

Structure parameters

• Formula: C38 H65 Cl N2 Si2 W
• Calculated formula: C38 H Cl N2 Si2 W
• SMILES: [W](Cl)(=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(=C\c1ccccc1)/c1ccccc1
• 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: 12.081 ± 0.002 Å
• b: 12.08 ± 0.002 Å
• c: 29.08 ± 0.006 Å
• α: 90°
• β: 101.2 ± 0.03°
• γ: 90°
• Cell volume: 4163.1 ± 1.4 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: 0.066
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections: 0.189
• Weighted residual factors for significantly intense reflections: 0.1846
• Goodness-of-fit parameter for all reflections: 1.151
• Goodness-of-fit parameter for significantly intense reflections: 1.176
• Diffraction radiation wavelength: 0.943 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No