Information card for entry 7037561

Structure parameters

• Common name: Complex 3a
• Formula: C44 H64 F N4 Nb
• Calculated formula: C44 H64 F N4 Nb
• Title of publication: C-F sp(2) bond functionalization mediated by niobium complexes.
• Authors of publication: Nechayev, Michael; Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19494 - 19500
• a: 13.0787 ± 0.0004 Å
• b: 16.7557 ± 0.0005 Å
• c: 18.7826 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4116.1 ± 0.2 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No