Information card for entry 4073207

Structure parameters

• Formula: C20 H24 Cl2 Cr N Si
• Calculated formula: C20 H24 Cl2 Cr N Si
• SMILES: [Cr]12345(Cl)(Cl)[n]6c7c(cccc7ccc6)[c]61[c]2([c]3([c]4([c]56C)C)C)[Si](C)(C)C
• Title of publication: 1H NMR Investigation of Paramagnetic Chromium(III) Olefin Polymerization Catalysts: Experimental Results, Shift Assignment and Prediction by Quantum Chemical Calculations†
• Authors of publication: Fernández, Pablo; Pritzkow, Hans; Carbó, Jorge J.; Hofmann, Peter; Enders, Markus
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4402
• a: 8.6425 ± 0.0005 Å
• b: 10.0291 ± 0.0006 Å
• c: 13.5776 ± 0.0009 Å
• α: 97.051 ± 0.001°
• β: 100.808 ± 0.001°
• γ: 114.19 ± 0.001°
• Cell volume: 1027.98 ± 0.11 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No