Information card for entry 4316538

Structure parameters

• Formula: C76 H172 N2 O6 Si6 Ta2
• Calculated formula: C76 H172 N2 O6 Si6 Ta2
• 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: 12.7517 ± 0.0006 Å
• b: 17.5127 ± 0.0009 Å
• c: 23.2899 ± 0.0011 Å
• α: 103.755 ± 0.002°
• β: 90.992 ± 0.002°
• γ: 110.627 ± 0.002°
• Cell volume: 4698.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No