Information card for entry 4323400

Structure parameters

• Chemical name: pentakis(3,5-dimethylpyrazolato)tantalum(V)
• Formula: C25 H35 N10 Ta
• Calculated formula: C25 H35 N10 Ta
• SMILES: [Ta]123([n]4n1c(cc4C)C)(n1nc(cc1C)C)(n1[n]2c(cc1C)C)(n1nc(C)cc1C)n1[n]3c(cc1C)C
• Title of publication: Tantalum Complexes Bearing η1-, η2-, and "Slipped" η2-Pyrazolato Ligands
• Authors of publication: Ilia A. Guzei; Glenn P. A. Yap; Charles H. Winter
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 1738 - 1739
• a: 12.382 ± 0.005 Å
• b: 14.108 ± 0.006 Å
• c: 17.15 ± 0.004 Å
• α: 90°
• β: 91.27 ± 0.02°
• γ: 90°
• Cell volume: 2995.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections: 0.1007
• Weighted residual factors for significantly intense reflections: 0.0952
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No