Information card for entry 4131161

Structure parameters

• Formula: C19 H22 B N6 Ni
• Calculated formula: C19 H22 B N6 Ni
• 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: 7.7348 ± 0.0001 Å
• b: 20.0782 ± 0.0002 Å
• c: 23.804 ± 0.0002 Å
• α: 90°
• β: 90.094 ± 0.002°
• γ: 90°
• Cell volume: 3696.78 ± 0.07 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No