Information card for entry 4081299

Structure parameters

• Formula: C23 H18 Cl Cr F O P
• Calculated formula: C23 H18 Cl Cr F O P
• SMILES: [Cr]12345([P](c6c(O1)c(F)ccc6)(c1ccccc1)c1ccccc1)(Cl)[cH]1[cH]5[cH]3[cH]2[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: 9.3204 ± 0.0006 Å
• b: 9.4066 ± 0.0006 Å
• c: 14.4848 ± 0.0009 Å
• α: 86.673 ± 0.001°
• β: 71.757 ± 0.001°
• γ: 68.444 ± 0.001°
• Cell volume: 1119.41 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No