Information card for entry 4109679

Structure parameters

• Common name: Add Name
• Formula: C54 H57 Cl8 N2 Ni O2 Sb
• Calculated formula: C54 H57 Cl8 N2 Ni O2 Sb
• SMILES: CC1=CC(=[O][Ni]2(O1)[N](=C(C(C)=[N]2c1c(cccc1c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)C)c1c(cccc1c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)C.C(Cl)Cl.[Cl-][Sb](Cl)(Cl)(Cl)(Cl)Cl
• Title of publication: New Nickel(II) Diimine Complexes and the Control of Polyethylene Microstructure by Catalyst Design
• Authors of publication: Dieter Meinhard; Marcus Wegner; Georgy Kipiani; Andrew Hearley; Peter Reuter; Stefan Fischer; Othmar Marti; Bernhard Rieger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 9182 - 9191
• a: 11.8808 ± 0.0013 Å
• b: 14.4953 ± 0.0014 Å
• c: 17.514 ± 0.002 Å
• α: 88.999 ± 0.013°
• β: 80.451 ± 0.013°
• γ: 78.963 ± 0.012°
• Cell volume: 2919.1 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0716
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No