Information card for entry 7016240

Structure parameters

• Formula: C24 H27 Cl2 N3 Ti
• Calculated formula: C24 H27 Cl2 N3 Ti
• SMILES: [Ti]1234(Cl)(Cl)(N=C5N(CCN5c5c(cccc5C)C)c5c(cccc5C)C)[cH]5[cH]4[cH]3[cH]2[cH]15
• Title of publication: Effect of ligand substituents in olefin polymerisation by half-sandwich titanium complexes containing monoanionic iminoimidazolidide ligands-MAO catalyst systems.
• Authors of publication: Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Zhang, Shu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 31
• Pages of publication: 7842 - 7849
• a: 8.2728 ± 0.0003 Å
• b: 9.4651 ± 0.0004 Å
• c: 16.8992 ± 0.0006 Å
• α: 80.2807 ± 0.001°
• β: 82.631 ± 0.0011°
• γ: 62.5498 ± 0.001°
• Cell volume: 1155.49 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No