Information card for entry 4109677

Structure parameters

• Common name: Gosha - Name
• Formula: C85 H71 B F20 N2 Ni O2
• Calculated formula: C85 H71 B F20 N2 Ni O2
• SMILES: CC1=[O][Ni]2(OC(=C1)C)[N](=C(C(C)=[N]2c1c(cccc1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)C)c1c(cccc1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C.c1(c(c(c(c(c1F)F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• 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: 12.1837 ± 0.0013 Å
• b: 28.421 ± 0.003 Å
• c: 26.328 ± 0.003 Å
• α: 90°
• β: 99.123 ± 0.014°
• γ: 90°
• Cell volume: 9001.4 ± 1.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1378
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2282
• Weighted residual factors for all reflections included in the refinement: 0.2601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No