Information card for entry 4069554

Structure parameters

• Formula: C27 H30 Cl4 Cr N O
• Calculated formula: C27 H30 Cl4 Cr N O
• SMILES: [Cr]12345(Cl)([N](=C6c7c(O1)ccc(Cl)c7C(C6)C)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.C(Cl)Cl
• Title of publication: Half-Sandwich Chromium(III) Catalysts Bearing Hydroxyindanimine Ligands for Ethylene Polymerization
• Authors of publication: Huang, Yuan-Biao; Yu, Wei-Bin; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 14
• Pages of publication: 4170
• a: 13.466 ± 0.006 Å
• b: 14.854 ± 0.007 Å
• c: 14.479 ± 0.007 Å
• α: 90°
• β: 104.562 ± 0.007°
• γ: 90°
• Cell volume: 2803 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1116
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No