Information card for entry 7116195

Structure parameters

• Common name: Compex 3
• Formula: C29 H41 N2 Nb O
• Calculated formula: C29 H41 N2 Nb O
• Title of publication: Regioselective [2+2] and [4+2] cycloaddition reactivity in an asymmetric niobium(bisimido) moiety towards unsaturated organic molecules.
• Authors of publication: Obenhuber, A. H.; Gianetti, T. L.; Bergman, R. G.; Arnold, J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1278 - 1281
• a: 11.126 ± 0.0007 Å
• b: 16.7319 ± 0.0011 Å
• c: 15.5707 ± 0.001 Å
• α: 90°
• β: 108.06 ± 0.001°
• γ: 90°
• Cell volume: 2755.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0303
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No