Information card for entry 7710735

Structure parameters

• Formula: C22 H39 Cl2 O2 P2 Ti
• Calculated formula: C22 H39 Cl2 O2 P2 Ti
• SMILES: [Ti]12(Cl)(Cl)[P](Oc3c2c(O[P]1(C(C)(C)C)C(C)(C)C)ccc3)(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: 10.674 ± 0.0006 Å
• b: 16.1874 ± 0.0009 Å
• c: 15.2797 ± 0.001 Å
• α: 90°
• β: 91.08 ± 0.006°
• γ: 90°
• Cell volume: 2639.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1374
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No