Information card for entry 7710737

Structure parameters

• Formula: C24 H43 Cl2 P2 Ti
• Calculated formula: C24 H43 Cl2 P2 Ti
• SMILES: [Ti]12(Cl)(Cl)[P](C(C)(C)C)(C(C)(C)C)Cc3cccc(c23)C[P]1(C(C)(C)C)C(C)(C)C
• Title of publication: Scandium, Titanium and Vanadium Complexes Supported by PCP-type Pincer Ligands: Synthesis, Structure, and Styrene Polymerization Activity
• Authors of publication: Zhang, Jiayu; Huang, Wenshuang; Han, Kailing; Song, Guoyong; Hu, Shaowei
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.147 ± 0.0007 Å
• b: 15.881 ± 0.0007 Å
• c: 14.4631 ± 0.0011 Å
• α: 90°
• β: 105.389 ± 0.007°
• γ: 90°
• Cell volume: 2690 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No