Information card for entry 4323825

Structure parameters

• Common name: C38 H54 Cl0 N4 Ta2
• Formula: C19 H27 N2 Ta
• Calculated formula: C19 H27 N2 Ta
• SMILES: [Ta]1234(n5ccc6ccccc56)(N5[C]1(=[C]2([C]3(=[C]45C)C)C)C)(C)(C)C
• Title of publication: Syntheses of Tantalum(V) Complexes Containing Tetramethylpyrrolyl, Pyrrolyl, and Indolyl Ligands
• Authors of publication: Keith G. Parker; Bruce Noll; C. G. Pierpont; M. Rakowski DuBois
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 3228 - 3234
• a: 8.957 ± 0.002 Å
• b: 28.54 ± 0.006 Å
• c: 14.695 ± 0.003 Å
• α: 90°
• β: 99.4 ± 0.03°
• γ: 90°
• Cell volume: 3706.1 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections: 0.1136
• Weighted residual factors for significantly intense reflections: 0.0915
• Goodness-of-fit parameter for all reflections: 0.968
• Goodness-of-fit parameter for significantly intense reflections: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No