Information card for entry 4087927

Structure parameters

• Formula: C26 H24 N6 Ni
• Calculated formula: C26 H24 N6 Ni
• SMILES: [Ni]123c4c5N(c6[n]2c(ccc6)N(c2cccc(N(c6cccc(N(c4ccc5)C)[n]16)C)c32)C)C
• Title of publication: Macrocyclic Aryl‒Nickel(II) Complexes: Synthesis, Structure, and Reactivity Studies
• Authors of publication: Yang, Chi; Wu, Wen-Di; Zhao, Liang; Wang, Mei-Xiang
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 5167
• a: 27.248 ± 0.011 Å
• b: 8.617 ± 0.003 Å
• c: 21.659 ± 0.008 Å
• α: 90°
• β: 106.978 ± 0.005°
• γ: 90°
• Cell volume: 4864 ± 3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0896
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2618
• Weighted residual factors for all reflections included in the refinement: 0.2636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No