Information card for entry 4088944

Structure parameters

• Formula: C23 H29 Cl3 Cr N7 O2
• Calculated formula: C23 H29 Cl3 Cr N7 O2
• SMILES: [Cr]12(Cl)(Cl)(Cl)[n]3n(c(cc3C)C)c3[n]1c(ccc3)c1[nH]c3ccccc3[n]21.O=CN(C)C.O=CN(C)C
• Title of publication: 2-Benzimidazol-6-pyrazol-pyridine Chromium(III) Trichlorides: Synthesis, Characterization, and Application for Ethylene Oligomerization and Polymerization
• Authors of publication: Luo, Wenlong; Li, Antai; Liu, Shaofeng; Ye, Hongqi; Li, Zhibo
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 17
• Pages of publication: 3045
• a: 8.127 ± 0.003 Å
• b: 19.795 ± 0.006 Å
• c: 17.268 ± 0.005 Å
• α: 90°
• β: 101.636 ± 0.005°
• γ: 90°
• Cell volume: 2720.9 ± 1.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0759
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No