Information card for entry 4109734

Structure parameters

• Common name: Dizirconium-dinitrogen yellow complex
• Chemical name: Dizirconium-dinitrogen yellow complex
• Formula: C36 H64 N6 Ta2
• Calculated formula: C36 H64 N6 Ta2
• SMILES: [Ta]1234567([Ta]89%10%11%12([N]1)([N]2)([c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)[N](=C(N%12C(C)C)C)C(C)C)([c]1([c]6([c]5([c]4([c]31C)C)C)C)C)[N](=C(N7C(C)C)C)C(C)C
• 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: 11.8563 ± 0.0008 Å
• b: 18.9391 ± 0.0012 Å
• c: 18.9815 ± 0.0012 Å
• α: 112.382 ± 0.001°
• β: 90.926 ± 0.001°
• γ: 102.882 ± 0.001°
• Cell volume: 3817.7 ± 0.4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No