Information card for entry 4071027

Structure parameters

• Formula: C94 H110 N2 Ni O8 P4
• Calculated formula: C94 H110 N2 Ni O8 P4
• Title of publication: Synthesis, Structures, Dynamics, and Ethylene Polymerization Activity of Nickel Complexes Containing anortho-Methoxy-aryl Diphosphine Ligand
• Authors of publication: Lavanant, Laurent; Rodrigues, Anne-Sophie; Kirillov, Evgueni; Carpentier, Jean-François; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 9
• Pages of publication: 2107
• a: 26.3678 ± 0.0008 Å
• b: 15.4778 ± 0.0006 Å
• c: 23.088 ± 0.0008 Å
• α: 90°
• β: 116.328 ± 0.002°
• γ: 90°
• Cell volume: 8445.2 ± 0.5 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1037
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No