Information card for entry 7017706

Structure parameters

• Formula: C32 H32 Cl2 N2 Ni O2 P2
• Calculated formula: C32 H32 Cl2 N2 Ni O2 P2
• SMILES: c1(ccccc1)[P]1([Ni]2([N]3CCOC=3C1)([N]1CCOC=1C[P]2(c1ccccc1)c1ccccc1)(Cl)Cl)c1ccccc1
• 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: 8.2701 ± 0.0002 Å
• b: 15.3634 ± 0.0007 Å
• c: 24.168 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3070.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No