Information card for entry 4327704

Structure parameters

• Formula: C16 H27 Cl3 N O2 Ta
• Calculated formula: C16 H27 Cl3 N O2 Ta
• SMILES: [Ta]1(Cl)(Cl)(Cl)([O](C)CC[O]1C)=Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Molecular Structures and FT-Raman Spectroscopy of Luminescent Niobium and Tantalum Arylimido Compounds
• Authors of publication: Kurt S. Heinselman; Vincent M. Miskowski; Steven J. Geib; Louis C. Wang; Michael D. Hopkins
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5530 - 5538
• a: 14.43 ± 0.003 Å
• b: 9.813 ± 0.002 Å
• c: 14.37 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2034.8 ± 0.7 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0396
• Goodness-of-fit parameter for all reflections: 0.965
• Goodness-of-fit parameter for significantly intense reflections: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No