Information card for entry 4119468

Structure parameters

• Formula: C86.5 H148 N2 Ni2 O2 P2
• Calculated formula: C64 H94 N2 Ni2 O2 P2
• SMILES: [Ni]1([N](=Cc2c(O1)c(c1c(c(c(c(c1C)C)c1c3O[Ni]([P](C)(C)C)([N](=Cc3cc(c1)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)C)C)C)cc(c2)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)([P](C)(C)C)C
• Title of publication: Bimetallic Coordination Insertion Polymerization of Unprotected Polar Monomers: Copolymerization of Amino Olefins and Ethylene by Dinickel Bisphenoxyiminato Catalysts
• Authors of publication: Madalyn R. Radlauer; Aya K. Buckley; Lawrence M. Henling; Theodor Agapie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 3784 - 3787
• a: 13.408 ± 0.002 Å
• b: 14.878 ± 0.002 Å
• c: 23.068 ± 0.004 Å
• α: 104.541 ± 0.008°
• β: 90.001 ± 0.009°
• γ: 116.551 ± 0.008°
• Cell volume: 3950.9 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2114
• Residual factor for significantly intense reflections: 0.1425
• Weighted residual factors for significantly intense reflections: 0.3256
• Weighted residual factors for all reflections included in the refinement: 0.3417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.771
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes