Information card for entry 7029181

Structure parameters

• Formula: C13 H33 N8 Ta
• Calculated formula: C13 H33 N8 Ta
• SMILES: [Ta]1(N(C=[N]1C(C)C)C(C)C)(N(C)C)(N(C)C)(N(C)C)N=N#N
• 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: 7.0099 ± 0.0002 Å
• b: 16.7184 ± 0.0005 Å
• c: 16.759 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1964.06 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0154
• Residual factor for significantly intense reflections: 0.0144
• Weighted residual factors for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.0337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No