Information card for entry 4501448

Structure parameters

• Formula: C47 H59 Cl2 N2 O2 Ti
• Calculated formula: C47 H32 Cl2 N2 O2 Ti
• Title of publication: Ethylene and Ethylene/α-Olefin (Co)Polymerization Behavior of Bis(phenoxy−imine)Ti Catalysts: Significant Substituent Effects on Activity and Comonomer Incorporation
• Authors of publication: Terao, Hiroshi; Iwashita, Akihiko; Matsukawa, Naoto; Ishii, Seiichi; Mitani, Makoto; Tanaka, Hidetsugu; Nakano, Takashi; Fujita, Terunori
• Journal of publication: ACS Catalysis
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 254
• a: 15.976 ± 0.002 Å
• b: 25.591 ± 0.002 Å
• c: 10.943 ± 0.005 Å
• α: 90°
• β: 102.3 ± 0.02°
• γ: 90°
• Cell volume: 4371 ± 2 ų
• Cell temperature: 223.2 K
• Ambient diffraction temperature: 223.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No