Information card for entry 4120628

Structure parameters

• Common name: Complex 2.OEt2
• Formula: C37 H59.5 N3.5 Nb O0.5
• Calculated formula: C37 H59.66 N3.34 Nb O0.66
• Title of publication: Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.
• Authors of publication: Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 8
• Pages of publication: 2994
• a: 10.4594 ± 0.0011 Å
• b: 11.0607 ± 0.0012 Å
• c: 18.1995 ± 0.0019 Å
• α: 77.313 ± 0.005°
• β: 85.045 ± 0.005°
• γ: 63.691 ± 0.005°
• Cell volume: 1841.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No