Information card for entry 4072573

Structure parameters

• Formula: C56 H80 Br2 N4 Ni2
• Calculated formula: C56 H80 Br2 N4 Ni2
• SMILES: c1(c(C(C)C)cccc1C(C)C)[N]1=C(C(=[N]([Ni]21[Br][Ni]1([N](c3c(cccc3C(C)C)C(C)C)=C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)[Br]2)c1c(cccc1C(C)C)C(C)C)C)C
• Title of publication: Activation of Polymerization Catalysts: Synthesis and Characterization of Novel Dinuclear Nickel(I) Diimine Complexes
• Authors of publication: Meinhard, Dieter; Reuter, Peter; Rieger, Bernhard
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 751
• a: 13.714 ± 0.003 Å
• b: 14.086 ± 0.003 Å
• c: 14.814 ± 0.003 Å
• α: 90°
• β: 103.48 ± 0.03°
• γ: 90°
• Cell volume: 2782.9 ± 1.1 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0814
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No