Information card for entry 4323465

Structure parameters

• Formula: C8 H19 Cl3 N Nb O2
• Calculated formula: C8 H19 Cl3 N Nb O2
• SMILES: [Nb]1(Cl)(Cl)(Cl)([O](C)CC[O]1C)=NC(C)(C)C
• Title of publication: A General Route to Labile Niobium and Tantalum d0 Monoimides. Discussion of Metal-Nitrogen Vibrational Modes
• Authors of publication: Andrey V. Korolev; Arnold L. Rheingold; Darryl S. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2647 - 2655
• a: 30.565 ± 0.004 Å
• b: 7.2406 ± 0.0013 Å
• c: 13.915 ± 0.002 Å
• α: 90°
• β: 90.626 ± 0.007°
• γ: 90°
• Cell volume: 3079.3 ± 0.8 ų
• Cell temperature: 249 ± 2 K
• Ambient diffraction temperature: 249 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections: 0.1107
• Weighted residual factors for significantly intense reflections: 0.1025
• Goodness-of-fit parameter for all reflections: 0.991
• Goodness-of-fit parameter for significantly intense reflections: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No