Information card for entry 4080159

Structure parameters

• Formula: C82 H92 Br4 Cl4 N4 Ni2
• Calculated formula: C82 H92 Br4 Cl4 N4 Ni2
• SMILES: c12C3c4c(C(c2cccc1)C1C3=[N]([Ni]2(Br)([N]=1c1c(cccc1C(C)C)C(C)C)[Br][Ni]1([N](=C3C(=[N]1c1c(cccc1C(C)C)C(C)C)C1c5ccccc5C3c3c1cccc3)c1c(cccc1C(C)C)C(C)C)(Br)[Br]2)c1c(C(C)C)cccc1C(C)C)cccc4.C(Cl)Cl.C(Cl)Cl
• Title of publication: Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene
• Authors of publication: Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 8
• Pages of publication: 2291
• a: 12.482 ± 0.002 Å
• b: 17.805 ± 0.003 Å
• c: 18.236 ± 0.003 Å
• α: 90°
• β: 101.502 ± 0.002°
• γ: 90°
• Cell volume: 3971.4 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0471
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No