Information card for entry 7017708

Structure parameters

• Formula: C36 H36 Cl14 N2 Ni O4 P2
• Calculated formula: C36 H36 Cl14 N2 Ni O4 P2
• SMILES: C1P(c2ccccc2)(=[O][Ni]2([N]3=C1OCC3)([N]1=C(CP(c3ccccc3)(=[O]2)c2ccccc2)OCC1)(Cl)Cl)c1ccccc1.C(Cl)(Cl)Cl.ClC(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(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: 10.2269 ± 0.0004 Å
• b: 10.5261 ± 0.0004 Å
• c: 13.0935 ± 0.0006 Å
• α: 66.761 ± 0.002°
• β: 69.761 ± 0.002°
• γ: 80.429 ± 0.002°
• Cell volume: 1214.46 ± 0.09 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: 0.0664
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No