Information card for entry 7054955

Structure parameters

• Formula: C22 H36 Ni O2 P2
• Calculated formula: C22 H36 Ni O2 P2
• SMILES: [Ni]12([P](Oc3c2c(ccc3)CO[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C#CC
• Title of publication: Synthesis of unsymmetrical 5,6-POCOP′-type pincer complexes of nickel(ii): impact of nickelacycle size on structures and spectroscopic properties
• Authors of publication: Salah, Abderrahmen; Corpet, Martin; ul-Hassan Khan, Najm; Zargarian, Davit; Spasyuk, Denis M.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 6649
• a: 8.0422 ± 0.0008 Å
• b: 16.7136 ± 0.0017 Å
• c: 17.4731 ± 0.0017 Å
• α: 90.793 ± 0.004°
• β: 90.658 ± 0.003°
• γ: 97.963 ± 0.004°
• Cell volume: 2325.5 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No