Information card for entry 4115736

Structure parameters

• Formula: C54 H124 Cl2 N4 Si4 W2
• Calculated formula: C52 H112 Cl2 N4 Si4 W2
• SMILES: [W]([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)(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.CCCCCC
• 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: 13.7997 ± 0.0004 Å
• b: 23.8392 ± 0.0002 Å
• c: 21.7517 ± 0.0007 Å
• α: 90 ± 0.0015°
• β: 100.117 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 7044.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1726
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for all reflections: 0.303
• Weighted residual factors for significantly intense reflections: 0.2486
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No