Information card for entry 4109737

Structure parameters

• Common name: Tantalum nitrogen hydrogen complex
• Formula: C36 H66 N6 Ta2
• Calculated formula: C36 H66 N6 Ta2
• SMILES: C1(C)=[N](C(C)C)[TaH]2345([N]#[N][TaH]6789%10([N](=C(C)N9C(C)C)C(C)C)[c]9([c]8([c]7([c]6([c]9%10C)C)C)C)C)(N1C(C)C)[c]1([c]5(C)[c]2([c]4([c]31C)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: 14.506 ± 0.003 Å
• b: 14.123 ± 0.002 Å
• c: 20.514 ± 0.004 Å
• α: 90°
• β: 107.176 ± 0.003°
• γ: 90°
• Cell volume: 4015.2 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0495
• 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