Information card for entry 7017705

Structure parameters

• Formula: C34 H35 Cl4 Co N3 O2 P2 Pd
• Calculated formula: C34 H35 Cl4 Co N3 O2 P2 Pd
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)CC2OCC[N]=2[Co](Cl)(Cl)Cl)([P](c2ccccc2)(c2ccccc2)CC2=[N]1CCO2)Cl.C(#N)C
• 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: 12.5554 ± 0.0004 Å
• b: 12.9516 ± 0.0005 Å
• c: 13.0189 ± 0.0005 Å
• α: 81.649 ± 0.002°
• β: 88.148 ± 0.002°
• γ: 63.361 ± 0.002°
• Cell volume: 1870.96 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No