Information card for entry 7029180

Structure parameters

• Formula: C16 H48 N14 Ta2
• Calculated formula: C16 H48 N14 Ta2
• SMILES: CN(C)[Ta]1(N=N#[N][Ta](N=N#[N]1)(N(C)C)(N(C)C)(N(C)C)N(C)C)(N(C)C)(N(C)C)N(C)C
• Title of publication: New azido-substituted tantalum compounds: syntheses and DFT examination of nitrogen-rich mono-, di-, and trinuclear tantalum(v) compounds.
• Authors of publication: Huang, Shih-Huang; Nesterov, Vladimir N.; Richmond, Michael G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3453 - 3461
• a: 10.9504 ± 0.0008 Å
• b: 12.2006 ± 0.0009 Å
• c: 11.1011 ± 0.0008 Å
• α: 90°
• β: 108.697 ± 0.001°
• γ: 90°
• Cell volume: 1404.85 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0112
• Residual factor for significantly intense reflections: 0.0108
• Weighted residual factors for significantly intense reflections: 0.0254
• Weighted residual factors for all reflections included in the refinement: 0.0255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No