Information card for entry 1568337

Structure parameters

• Formula: C30 H54 N4 Ni
• Calculated formula: C30 H54 N4 Ni
• 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: 15.7119 ± 0.0003 Å
• b: 9.6716 ± 0.0002 Å
• c: 19.5224 ± 0.0003 Å
• α: 90°
• β: 94.027 ± 0.002°
• γ: 90°
• Cell volume: 2959.28 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No