Information card for entry 7040204

Structure parameters

• Formula: C26 H40 F2 N2 Ni P2
• Calculated formula: C26 H40 F2 N2 Ni P2
• SMILES: C1[P](C(C)C)(C(C)C)[Ni]2([N](c3c(F)cccc3)=[N]2c2c(F)cccc2)[P](C1)(C(C)C)C(C)C
• Title of publication: Catalytic transfer hydrogenation of azobenzene by low-valent nickel complexes: a route to 1,2-disubstituted benzimidazoles and 2,4,5-trisubstituted imidazolines.
• Authors of publication: Zurita, Daniel A.; Flores-Alamo, Marcos; García, Juventino J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10389 - 10401
• a: 38.069 ± 0.002 Å
• b: 17.3973 ± 0.0006 Å
• c: 8.3793 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5549.6 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0391
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No