Information card for entry 4116707

Structure parameters

• Formula: C15 H33 N O3 P3 Si Ta
• Calculated formula: C15 H33 N O3 P3 Si Ta
• SMILES: [Ta]12([P](C[Si](C[P]1(C)C)(C[P]2(C)C)C(C)(C)C)(C)C)(N=O)(C#[O])C#[O]
• Title of publication: The First Nitrosyl Complexes of Niobium and Tantalum
• Authors of publication: P. James Daff; Peter Legzdins; Steven J. Rettig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 2688 - 2689
• a: 9.7532 ± 0.0014 Å
• b: 17.5506 ± 0.0015 Å
• c: 14.2268 ± 0.0005 Å
• α: 90°
• β: 101.539 ± 0.0008°
• γ: 90°
• Cell volume: 2386 ± 0.4 ų
• Cell temperature: 180.2 K
• Ambient diffraction temperature: 180.2 K
• Number of distinct elements: 7
• 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: 0.0963
• Weighted residual factors for all reflections: 0.105
• Goodness-of-fit parameter for all reflections: 2.035
• Goodness-of-fit parameter for all reflections included in the refinement: 2.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No