Information card for entry 4087928

Structure parameters

• Formula: C36 H44 F4 N2 Ni2 P2
• Calculated formula: C36 H44 F4 N2 Ni2 P2
• SMILES: c1cc(ccc1C(=[N]1[Ni]2(C)([P](C)(C)C)[N](=C(c3ccc(cc3)C)c3c(F)cccc3F)[Ni]12(C)[P](C)(C)C)c1c(F)cccc1F)C
• Title of publication: Imine Nitrogen Bridged Binuclear Nickel Complexes via N‒H Bond Activation: Synthesis, Characterization, Unexpected C,N-Coupling Reaction, and Their Catalytic Application in Hydrosilylation of Aldehydes
• Authors of publication: Wang, Lin; Sun, Hongjian; Li, Xiaoyan
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 5175
• a: 22.83 ± 0.005 Å
• b: 36.134 ± 0.007 Å
• c: 8.81 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7268 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1727
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No