Information card for entry 4065158

Structure parameters

• Formula: C48 H111 K N3 O3 Si3 W
• Calculated formula: C48 H111 K N3 O3 Si3 W
• SMILES: [WH](=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)=N[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.[K]([O](CC)CC)([O](CC)CC)[O](CC)CC
• Title of publication: Reactivity Studies of (tBu3SiNH)(tBu3SiN═)2WH Including Anionic Derivatives Featuring the Tris-tri-tert-butylsilylimide Tungsten Core
• Authors of publication: Schafer, Daniel F.; Wolczanski, Peter T.; Lobkovsky, Emil B.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 24
• Pages of publication: 6539
• a: 13.2546 ± 0.0002 Å
• b: 22.0167 ± 0.0001 Å
• c: 20.8776 ± 0.0003 Å
• α: 90°
• β: 95.607 ± 0.001°
• γ: 90°
• Cell volume: 6063.4 ± 0.13 ų
• Cell temperature: 165 ± 1 K
• Ambient diffraction temperature: 165 ± 1 K
• Number of distinct elements: 7
• 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: 0.0788
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections: 0.1685
• Weighted residual factors for significantly intense reflections: 0.1331
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No