Information card for entry 4327705

Structure parameters

• Formula: C18 H33 Cl3 N3 Ta
• Calculated formula: C18 H33 Cl3 N3 Ta
• SMILES: [Ta]1(Cl)(Cl)(Cl)(=Nc2c(cccc2C(C)C)C(C)C)[N](C)(CC[N]1(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: 16.722 ± 0.014 Å
• b: 15.509 ± 0.013 Å
• c: 17.739 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4600 ± 7 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 5
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections: 0.1228
• Weighted residual factors for significantly intense reflections: 0.0965
• Goodness-of-fit parameter for all reflections: 0.835
• Goodness-of-fit parameter for significantly intense reflections: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No