Information card for entry 7230149

Structure parameters

• Formula: C38 H46 Cl6 N2 O2 S2 Ti2
• Calculated formula: C38 H46 Cl6 N2 O2 S2 Ti2
• SMILES: [Ti]12(Cl)(Cl)(Cl)[N](c3c([S]2CCC)cccc3)=C(C=C(O1)C(C)(C)C)c1cccc(c1)C1C=C(O[Ti]2(Cl)(Cl)(Cl)[N]=1c1ccccc1[S]2CCC)C(C)(C)C
• Title of publication: Synthesis, characterization and olefin polymerization behaviors of phenylene-bridged bis-β-carbonylenamine binuclear titanium complexes
• Authors of publication: Luo, Derong; Zeng, Yi; Chen, Xiong; Xia, Ping; Xie, Guangyong; You, Qingliang; Zhang, Li; Li, Tingcheng; Li, Xiangdan; Zhang, Aiqing
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 13
• Pages of publication: 6954
• a: 18.572 ± 0.003 Å
• b: 14.833 ± 0.003 Å
• c: 18.032 ± 0.003 Å
• α: 90°
• β: 108.118 ± 0.003°
• γ: 90°
• Cell volume: 4721.1 ± 1.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No