Information card for entry 7040202

Structure parameters

• Formula: C26 H42 N2 Ni P2
• Calculated formula: C26 H42 N2 Ni P2
• SMILES: c1(ccccc1)[N]1[Ni]2([P](CC[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)[N]=1c1ccccc1
• 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: 11.1202 ± 0.0003 Å
• b: 15.6332 ± 0.0003 Å
• c: 16.5211 ± 0.0003 Å
• α: 90°
• β: 94.422 ± 0.002°
• γ: 90°
• Cell volume: 2863.55 ± 0.11 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0369
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No