Information card for entry 7035038

Structure parameters

• Formula: C21 H22 Cl3 Cr N6 O
• Calculated formula: C21 H22 Cl3 Cr N6 O
• SMILES: [Cr]12(Cl)(Cl)(Cl)[n]3n(ccc3)C(n3[n]1ccc3)(c1[n]2cccc1)c1ccccc1.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: 9.0372 ± 0.0002 Å
• b: 12.005 ± 0.0003 Å
• c: 12.1284 ± 0.0003 Å
• α: 87.5459 ± 0.0015°
• β: 68.1978 ± 0.0012°
• γ: 71.7827 ± 0.0013°
• Cell volume: 1156.46 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No