Information card for entry 1568349

Structure parameters

• Formula: C42 H62 B2 N4 Ni O4
• Calculated formula: C42 H62 B2 N4 Ni O4
• Title of publication: Nickel boryl complexes and nickel-catalyzed alkyne borylation.
• Authors of publication: Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2215 - 2228
• a: 11.2396 ± 0.0001 Å
• b: 19.3916 ± 0.0001 Å
• c: 19.4256 ± 0.0001 Å
• α: 90°
• β: 97.714 ± 0.001°
• γ: 90°
• Cell volume: 4195.57 ± 0.05 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No