Information card for entry 7017707

Structure parameters

• Formula: C34 H34 Cl8 N2 Ni O2 P2
• Calculated formula: C34 H34 Cl8 N2 Ni O2 P2
• SMILES: [Ni]12([P](CC3=[N]1CCO3)(c1ccccc1)c1ccccc1)([P](CC1=[N]2CCO1)(c1ccccc1)c1ccccc1)(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: A phosphino-oxazoline ligand as a P,N-bridge in palladium/cobalt or P,N-chelate in nickel complexes: catalytic ethylene oligomerization.
• Authors of publication: Zhang, Shuanming; Pattacini, Roberto; Jie, Suyun; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 379 - 386
• a: 9.7779 ± 0.0006 Å
• b: 11.0881 ± 0.0005 Å
• c: 18.3495 ± 0.0011 Å
• α: 88.468 ± 0.004°
• β: 83.143 ± 0.003°
• γ: 78.299 ± 0.004°
• Cell volume: 1934.14 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1823
• Residual factor for significantly intense reflections: 0.1615
• Weighted residual factors for significantly intense reflections: 0.3896
• Weighted residual factors for all reflections included in the refinement: 0.3959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No