Information card for entry 7040203

Structure parameters

• Formula: C26 H40 F2 N2 Ni P2
• Calculated formula: C26 H40 F2 N2 Ni P2
• SMILES: C1C[P](C(C)C)(C(C)C)[Ni]2([N](c3ccc(cc3)F)=[N]2c2ccc(cc2)F)[P]1(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: 11.167 ± 0.0002 Å
• b: 15.7392 ± 0.0003 Å
• c: 16.555 ± 0.0003 Å
• α: 90°
• β: 94.374 ± 0.001°
• γ: 90°
• Cell volume: 2901.23 ± 0.09 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No