Information card for entry 4109735

Structure parameters

• Common name: trans-ditantalum-dinitrogen complex
• Formula: C36 H64 N6 Ta2
• Calculated formula: C36 H64 N6 Ta2
• SMILES: C1(C)=[N](C(C)C)[Ta]234567(N1C(C)C)([c]1([c]4([c]5([c]6([c]71C)C)C)C)C)=[N]=[Ta]134567(=[N]=2)([N](=C(C)N1C(C)C)C(C)C)[c]1([c]4([c]5([c]6([c]71C)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: 9.7044 ± 0.001 Å
• b: 15.7168 ± 0.0016 Å
• c: 12.2488 ± 0.0013 Å
• α: 90°
• β: 92.7557 ± 0.0015°
• γ: 90°
• Cell volume: 1866.1 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0656
• 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