Information card for entry 7221616

Structure parameters

• Formula: C25 H41 Cl2 N3 Ti
• Calculated formula: C25 H41 Cl2 N3 Ti
• SMILES: [Ti]1234(Cl)(Cl)(N=C5N(CCN5C5CCCCC5)C5CCCCC5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Synthesis of Half-Titanocenes Containing 1,3-Imidazolidin-2-Iminato Ligands of type, Cp*TiCl2[1,3-R2(CH2N)2C=N]: Highly Active Catalyst Precursors in Ethylene (Co)polymerisation
• Authors of publication: Nomura, Kotohiro; Patamma, Srisuda; Matsuda, Hideshi; Katao, Shohei; Tsutsumi, Ken; Fukuda, Hiroya
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.5977 ± 0.0003 Å
• b: 15.5686 ± 0.0004 Å
• c: 20.0179 ± 0.0006 Å
• α: 90°
• β: 103.714 ± 0.0008°
• γ: 90°
• Cell volume: 2603.09 ± 0.14 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No