Information card for entry 4115738

Structure parameters

• Formula: C46 H93 Cl N5 Si3 W2
• Calculated formula: C46 H93 Cl N5 Si3 W2
• SMILES: [W]123([W]([Cl]1)(=N[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)([n]1ccccc1)([n]1ccccc1)([H]2)[H]3)(=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
• 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: 13.7991 ± 0.0011 Å
• b: 24.343 ± 0.002 Å
• c: 16.7419 ± 0.0014 Å
• α: 90°
• β: 92.598 ± 0.002°
• γ: 90°
• Cell volume: 5618 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections: 0.1079
• Weighted residual factors for significantly intense reflections: 0.0729
• Goodness-of-fit parameter for all reflections: 0.993
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No