Information card for entry 4071396

Structure parameters

• Formula: C44 H76 Cl4 Cr2 N6 Si2
• Calculated formula: C44 H76 Cl4 Cr2 N6 Si2
• SMILES: C1(=N[Si](C)(C)[c]23[Cr]4567([c]2([c]4([c]5([c]36C)C)C)C)(Cl)[Cl][Cr]2345([c]6([Si](N=C8N(C=CN8C(C)(C)C)C(C)(C)C)(C)C)[c]2([c]3([c]4([c]56C)C)C)C)(Cl)[Cl]7)N(C=CN1C(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: 12.3769 ± 0.0015 Å
• b: 12.9565 ± 0.0014 Å
• c: 16.8703 ± 0.0018 Å
• α: 90°
• β: 109.259 ± 0.004°
• γ: 90°
• Cell volume: 2553.9 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No