Information card for entry 7037562

Structure parameters

• Common name: Complex 5
• Formula: C48 H65 N4 Nb
• Calculated formula: C48 H65 N4 Nb
• SMILES: CC1=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Nb]2(CC(C)(C)N12)(N(Cc1ccccc1)c1c(cccc1C)C)=Nc1c(cccc1C(C)C)C(C)C
• 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: 11.0558 ± 0.0004 Å
• b: 21.2612 ± 0.0007 Å
• c: 18.2635 ± 0.0006 Å
• α: 90°
• β: 94.612 ± 0.002°
• γ: 90°
• Cell volume: 4279.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No