Information card for entry 4109676

Structure parameters

• Formula: C47 H43 Cl6 N2 Ni O2 Sb
• Calculated formula: C47 H43 Cl6 N2 Ni O2 Sb
• SMILES: C1(=[O][Ni]2(OC(=C1)C)[N](=C(C(C)=[N]2c1c(cc(C)cc1c1ccccc1)c1ccccc1)C)c1c(cc(C)cc1c1ccccc1)c1ccccc1)C.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: 17.4769 ± 0.0019 Å
• b: 17.0447 ± 0.0018 Å
• c: 17.628 ± 0.002 Å
• α: 90°
• β: 113.106 ± 0.012°
• γ: 90°
• Cell volume: 4829.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No