Information card for entry 4065159

Structure parameters

• Formula: C56 H128 K N5 O6.5 Si3 W
• Calculated formula: C56 H118 K N5 O6.5 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]1234567[O]8CC[N]97CC[O]2CC[O]3CC[N]6(CC[O]1CC8)CC[O]5CC[O]4CC9.CCOCC
• 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: 12.168 ± 0.002 Å
• b: 17.08 ± 0.003 Å
• c: 18.459 ± 0.004 Å
• α: 88.37 ± 0.03°
• β: 88.41 ± 0.03°
• γ: 69.99 ± 0.03°
• Cell volume: 3602.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections: 0.182
• Weighted residual factors for significantly intense reflections: 0.1285
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No