Information card for entry 7007449

Structure parameters

• Formula: C24 H31 N3 O2 S Ti
• Calculated formula: C24 H31 N3 O2 S Ti
• SMILES: [Ti]12345(N(S(=O)(=O)c6ccc(cc6)C)c6c(cccc6)[c]61[c]2([cH]3[cH]4[c]56C)C)(N(C)C)N(C)C
• Title of publication: o-Phenylene-bridged Cp/sulfonamido titanium complexes for ethylene/1-octene copolymerization.
• Authors of publication: Joe, Dae June; Wu, Chun Ji; Bok, Taekki; Lee, Eun Jung; Lee, Choong Hoon; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 33
• Pages of publication: 4056 - 4062
• a: 31.743 ± 0.003 Å
• b: 11.5195 ± 0.0011 Å
• c: 13.1968 ± 0.0012 Å
• α: 90°
• β: 98.297 ± 0.002°
• γ: 90°
• Cell volume: 4775.1 ± 0.8 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No