Information card for entry 7029183

Structure parameters

• Formula: C7 H16 N2
• Calculated formula: C7 H16 N2
• SMILES: N(C=NC(C)C)C(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: 11.6393 ± 0.0008 Å
• b: 8.6453 ± 0.0006 Å
• c: 17.1298 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1723.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0975
• 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