Information card for entry 4071395

Structure parameters

• Formula: C22 H38 Cl2 Cr N3 Si
• Calculated formula: C22 H38 Cl2 Cr N3 Si
• SMILES: [Cr]12345(Cl)(Cl)[N]([Si](C)(C)[c]61[c]2([c]3([c]4([c]56C)C)C)C)=c1n(c(c(n1C(C)C)C)C)C(C)C
• Title of publication: Chromium Complexes with Me2Si-Bridged Cyclopentadienyl-imidazolin-2-imine Ligands: Synthesis, Structure, and Use in Ethylene Polymerization Catalysis
• Authors of publication: Randoll, Sören; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3232
• a: 17.1117 ± 0.0018 Å
• b: 8.9247 ± 0.001 Å
• c: 16.6329 ± 0.0018 Å
• α: 90°
• β: 96.069 ± 0.003°
• γ: 90°
• Cell volume: 2525.9 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No