Information card for entry 4064439

Structure parameters

• Formula: C28 H27 Cl3 Cr N5 O2
• Calculated formula: C28 H27 Cl3 Cr N5 O2
• SMILES: [Cr]12([n]3c(c4[n]2c2c([nH]4)cccc2)ccc2c3c(C(=[O]1)Nc1c(cccc1C)C)ccc2)(Cl)(Cl)[O]=CN(C)C.[Cl-]
• Title of publication: 2-Benzimidazolyl-N-phenylquinoline-8-carboxamide Chromium(III) Trichlorides: Synthesis and Application for Ethylene Oligomerization and Polymerization
• Authors of publication: Wang, Deligeer; Liu, Shaofeng; Zeng, Yanning; Sun, Wen-Hua; Redshaw, Carl
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 3001
• a: 8.7764 ± 0.0018 Å
• b: 20.349 ± 0.004 Å
• c: 21.05 ± 0.004 Å
• α: 90°
• β: 92.29 ± 0.03°
• γ: 90°
• Cell volume: 3756.3 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.087
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No