Information card for entry 7710734

Structure parameters

• Formula: C32 H65 P2 Sc Si2
• Calculated formula: C32 H65 P2 Sc Si2
• SMILES: [Sc]12([P](Cc3c2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C[Si](C)(C)C)C[Si](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: 16.7335 ± 0.0007 Å
• b: 13.2393 ± 0.0006 Å
• c: 16.9263 ± 0.0008 Å
• α: 90°
• β: 97.212 ± 0.004°
• γ: 90°
• Cell volume: 3720.2 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No