Information card for entry 4117353

Structure parameters

• Formula: C68 H102 N4 Ni2 O2
• Calculated formula: C68 H102 N4 Ni2 O2
• SMILES: C1=[N](c2c(C(C)C)cccc2C(C)C)[Ni](Oc2c1cc(cc2c1c(C)c(c(c2cc(cc3C=[N]([Ni]([NH2]C(CC)(C)C)(Oc23)C)c2c(cccc2C(C)C)C(C)C)C(C)(C)C)c(c1C)C)C)C(C)(C)C)([NH2]C(CC)(C)C)C
• Title of publication: Bimetallic Effects on Ethylene Polymerization in the Presence of Amines: Inhibition of the Deactivation by Lewis Bases
• Authors of publication: Madalyn R. Radlauer; Michael W. Day; Theodor Agapie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 1478 - 1481
• a: 9.7952 ± 0.0005 Å
• b: 22.8485 ± 0.0013 Å
• c: 14.6159 ± 0.0007 Å
• α: 90°
• β: 96.415 ± 0.003°
• γ: 90°
• Cell volume: 3250.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.155
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 2.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No