Information card for entry 7710733

Structure parameters

• Formula: C30 H61 O2 P2 Si2 Ti
• Calculated formula: C30 H61 O2 P2 Si2 Ti
• SMILES: c12c3cccc1O[P](C(C)(C)C)(C(C)(C)C)[Ti]2(C[Si](C)(C)C)(C[Si](C)(C)C)[P](C(C)(C)C)(C(C)(C)C)O3
• 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: 16.1891 ± 0.0002 Å
• b: 13.1418 ± 0.0002 Å
• c: 16.9923 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3615.18 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No