Information card for entry 4071397

Structure parameters

• Formula: C22 H32 Cl2 Cr N3 Si
• Calculated formula: C22 H32 Cl2 Cr N3 Si
• SMILES: [Cr]12345([N](=C6N(C(=C(N6C(C)C)C)C)C(C)C)[Si](C)(C)[c]62[cH]3[cH]4[c]25cccc[c]612)(Cl)Cl
• 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: 9.627 ± 0.0004 Å
• b: 27.1476 ± 0.0014 Å
• c: 18.3241 ± 0.001 Å
• α: 90°
• β: 91.22 ± 0.003°
• γ: 90°
• Cell volume: 4787.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0957
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No