Information card for entry 4109738

Structure parameters

• Chemical name: Ditantalum mu-nitrogen hydrogen complex
• Formula: C42 H72 N6 Si Ta2
• Calculated formula: C42 H72 N6 Si Ta2
• Title of publication: Dinitrogen Activation at Ambient Temperatures: New Modes of H2 and PhSiH3 Additions for an "End-On-Bridged" [Ta(IV)]2(μ-η1:η1-N2) Complex and for the Bis(μ-nitrido) [Ta(V)(μ-N)]2 Product Derived from Facile N\τbN Bond Cleavage
• Authors of publication: Masakazu Hirotsu; Philip P. Fontaine; Albert Epshteyn; Lawrence R. Sita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 9284 - 9285
• a: 10.6823 ± 0.0008 Å
• b: 10.9599 ± 0.0008 Å
• c: 20.1009 ± 0.0015 Å
• α: 97.2 ± 0.001°
• β: 99.515 ± 0.001°
• γ: 95.836 ± 0.001°
• Cell volume: 2284.6 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No