Information card for entry 7061169

Structure parameters

• Formula: C15 H28 N2 Ni O Si
• Calculated formula: C15 H28 N2 Ni O Si
• SMILES: c12c3cccc1C[N](C)(C)[Ni]2([N](C3)(C)C)O[Si](C)(C)C
• Title of publication: Aerobic oxidation-functionalization of the aryl moiety in van Koten's pincer complex (NCN)Ni(ii)Br: relevance to carbon–heteroatom coupling reactions promoted by high-valent nickel species
• Authors of publication: Cloutier, Jean-Philippe; Zamani, Fahimeh; Zargarian, Davit
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 1800 - 1807
• a: 12.381 ± 0.0007 Å
• b: 13.9962 ± 0.0008 Å
• c: 11.9361 ± 0.0007 Å
• α: 90°
• β: 121.228 ± 0.0019°
• γ: 90°
• Cell volume: 1768.7 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No