Information card for entry 7221617

Structure parameters

• Formula: C25 H29 Cl2 N3 Ti
• Calculated formula: C25 H29 Cl2 N3 Ti
• SMILES: [Ti]1234(Cl)(Cl)(N=C5N(CCN5c5ccccc5)c5ccccc5)[c]5([c]4([c]3([c]2([c]15C)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: 8.6563 ± 0.0003 Å
• b: 7.42574 ± 0.00018 Å
• c: 36.5572 ± 0.001 Å
• α: 90°
• β: 94.0965 ± 0.0009°
• γ: 90°
• Cell volume: 2343.87 ± 0.12 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No