Information card for entry 4084089

Structure parameters

• Formula: C17 H22 Cl2 Cr N
• Calculated formula: C17 H22 Cl2 Cr N
• SMILES: [Cr]12345(Cl)(Cl)[N](c6c(cccc6)[c]61[c]2([c]3([c]4([c]56C)C)C)C)(C)C
• Title of publication: New Chromium(III) Complexes as Highly Active Catalysts for Olefin Polymerization
• Authors of publication: Enders, Markus; Fernández, Pablo; Ludwig, Gunter; Pritzkow, Hans
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 24
• Pages of publication: 5005
• a: 7.974 ± 0.005 Å
• b: 25.353 ± 0.014 Å
• c: 8.563 ± 0.004 Å
• α: 90°
• β: 98.43 ± 0.04°
• γ: 90°
• Cell volume: 1712.4 ± 1.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No