Information card for entry 4316536

Structure parameters

• Formula: C42 H86 N O3 Si3 Ta
• Calculated formula: C42 N O3 Si3 Ta
• Title of publication: Pnictogen-Hydride Activation by (silox)3Ta (silox =tBu3SiO); Attempts to Circumvent the Constraints of Orbital Symmetry in N2 Activation
• Authors of publication: Elliott B. Hulley; Jeffrey B. Bonanno; Peter T. Wolczanski; Thomas R. Cundari; Emil B. Lobkovsky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8524 - 8544
• a: 18.114 ± 0.004 Å
• b: 13.436 ± 0.003 Å
• c: 20.65 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5025.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No