Information card for entry 4073825

Structure parameters

• Formula: C33 H45 Cl2 N O Ti
• Calculated formula: C33 H45 Cl2 N O Ti
• SMILES: [Ti]1234(Cl)(Cl)(Oc5c(cccc5C(C)(C)C)/C=N/c5c(cccc5C(C)C)C(C)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Synthesis of Half-Titanocenes Containing Phenoxy-imine Ligands and Their Use as Catalysts for Olefin Polymerization
• Authors of publication: Zhang, Hao; Katao, Shohei; Nomura, Kotohiro; Huang, Jiling
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5967
• a: 18.083 ± 0.003 Å
• b: 15.268 ± 0.003 Å
• c: 23.643 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6528 ± 2 ų
• Cell temperature: 243.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No