Information card for entry 4063631

Structure parameters

• Formula: C28 H34 Cl2 Cr N
• Calculated formula: C28 H34 Cl2 Cr N
• SMILES: [c]123[c]4([c]5([c]6([c]1(C)[Cr]3456(Cl)(Cl)[N](=Cc1c2cccc1)c1c(cccc1C(C)C)C(C)C)C)C)C
• Title of publication: New Chromium(III) Complexes with Imine−Cyclopentadienyl Ligands: Synthesis, Characterization, and Catalytic Properties for Ethylene Polymerization
• Authors of publication: Zhang, Lei; Gao, Wei; Tao, Xin; Wu, Qiaolin; Mu, Ying; Ye, Ling
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 433
• a: 10.883 ± 0.002 Å
• b: 14.407 ± 0.003 Å
• c: 16.756 ± 0.003 Å
• α: 90°
• β: 91.51 ± 0.03°
• γ: 90°
• Cell volume: 2626.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0577
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No