Information card for entry 7029182

Structure parameters

• Formula: C40 H65 N18 Ta3
• Calculated formula: C40 H65 N18 Ta3
• 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: 12.8379 ± 0.0009 Å
• b: 12.9726 ± 0.0009 Å
• c: 16.6282 ± 0.0012 Å
• α: 83.181 ± 0.001°
• β: 76.997 ± 0.001°
• γ: 63.853 ± 0.001°
• Cell volume: 2421.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No