Information card for entry 4131162

Structure parameters

• Formula: C19 H24 B F3 N6 Ni P
• Calculated formula: C19 H24 B F3 N6 Ni P
• SMILES: [P]([Ni]12([n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1)(C(F)(F)F)c1ccccc1)(C)(C)C
• Title of publication: Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.
• Authors of publication: Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 49
• Pages of publication: 16105 - 16111
• a: 8.50891 ± 0.00008 Å
• b: 17.83577 ± 0.00013 Å
• c: 15.13048 ± 0.00014 Å
• α: 90°
• β: 100.464 ± 0.0009°
• γ: 90°
• Cell volume: 2258.06 ± 0.03 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No