Information card for entry 4079223

Structure parameters

• Formula: C17 H17 Cl2 Cr N2
• Calculated formula: C17 H17 Cl2 Cr N2
• SMILES: [Cr]12345(Cl)(Cl)[n]6cccc7nccc(c67)[c]61[c]2([c]3([c]4([c]56C)C)C)C
• Title of publication: Naphthyridine Cyclopentadienyl Chromium Complexes as Single-Site Catalysts for the Formation of Ultrahigh Molecular Weight Polyethylene
• Authors of publication: Sieb, David; Baker, Robert W.; Wadepohl, Hubert; Enders, Markus
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7368
• a: 11.739 ± 0.006 Å
• b: 18.534 ± 0.008 Å
• c: 7.757 ± 0.004 Å
• α: 90°
• β: 109.235 ± 0.012°
• γ: 90°
• Cell volume: 1593.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0553
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No