Information card for entry 4327706

Structure parameters

• Formula: C18 H33 Br3 N3 Ta
• Calculated formula: C18 H33 Br3 N3 Ta
• SMILES: [Ta]1(Br)(Br)(Br)(=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: 10.111 ± 0.002 Å
• b: 14.7 ± 0.003 Å
• c: 15.931 ± 0.003 Å
• α: 90°
• β: 91.95 ± 0.03°
• γ: 90°
• Cell volume: 2366.5 ± 0.8 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 5
• 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: 0.0908
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections: 0.129
• Weighted residual factors for significantly intense reflections: 0.1104
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No