Information card for entry 7035039

Structure parameters

• Formula: C23 H28 Cl3 Cr N8 O2
• Calculated formula: C23 H28 Cl3 Cr N8 O2
• SMILES: [Cr]12(Cl)(Cl)(Cl)[n]3n(ccc3)C(c3[n]1cccc3)(c1[n]2cccc1)n1nccc1.O=CN(C)C.O=CN(C)C
• Title of publication: Highly active chromium(iii) complexes based on tridentate pyrazolyl pyridyl ligands for ethylene polymerization and oligomerization.
• Authors of publication: Park, Jong-Eun; Kang, Sung Kwon; Woo, Jeong Oh; Son, Kyung-Sun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9964 - 9969
• a: 11.417 ± 0.0013 Å
• b: 14.1673 ± 0.0015 Å
• c: 16.8852 ± 0.0019 Å
• α: 90°
• β: 98.684 ± 0.002°
• γ: 90°
• Cell volume: 2699.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1238
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No