Information card for entry 1574059

Structure parameters

• Formula: C33 H28 Cr O4 P2
• Calculated formula: C33 H28 Cr O4 P2
• SMILES: [Cr]1([P](C(=C(C)C)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: PCCP ligands with a semi-rigid backbone for chromium-catalyzed selective ethylene tri-/tetramerization
• Authors of publication: Zhao, Xing; Xie, Haojie; Zuo, Jing; Wang, Jihe; Zhao, Mei-Xin; Zhang, Jun
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 2713 - 2721
• a: 11.6589 ± 0.0003 Å
• b: 9.9032 ± 0.0002 Å
• c: 14.3096 ± 0.0003 Å
• α: 90°
• β: 112.88 ± 0.001°
• γ: 90°
• Cell volume: 1522.2 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No