Information card for entry 4081298

Structure parameters

• Formula: C27 H27 Cl Cr O P
• Calculated formula: C27 H27 Cl Cr O P
• SMILES: [Cr]12345([P](c6ccccc6)(c6c(O1)c(C(C)(C)C)ccc6)c1ccccc1)(Cl)[cH]1[cH]4[cH]2[cH]3[cH]51
• 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: 14.622 ± 0.002 Å
• b: 10.1233 ± 0.0014 Å
• c: 16.513 ± 0.002 Å
• α: 90°
• β: 98.072 ± 0.002°
• γ: 90°
• Cell volume: 2420.1 ± 0.6 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0957
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No