Information card for entry 4081300

Structure parameters

• Formula: C26 H27 Cl Cr O2 P Si
• Calculated formula: C26 H27 Cl Cr O2 P Si
• SMILES: [Cr]12345(Cl)(Oc6c([Si](C)(C)C)cccc6P(=[O]1)(c1ccccc1)c1ccccc1)[cH]1[cH]2[cH]5[cH]3[cH]41
• Title of publication: New Half-Sandwich Chromium(III) Complexes Bearing Phenoxy-Phosphine (Oxide) [O,P(═O)] Ligands: Synthesis, Structures, and Catalytic Properties for Ethylene (Co)Polymerization
• Authors of publication: Tao, Ping; Mu, Hong-Liang; Liu, Jing-Yu; Li, Yue-Sheng
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 17
• Pages of publication: 4805
• a: 15.0402 ± 0.0013 Å
• b: 9.8073 ± 0.0008 Å
• c: 17.4669 ± 0.0015 Å
• α: 90°
• β: 101.172 ± 0.001°
• γ: 90°
• Cell volume: 2527.6 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 7
• 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: 0.0641
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No