Information card for entry 4064438

Structure parameters

• Formula: C28 H27 Cl2 Cr N4 O2
• Calculated formula: C28 H27 Cl2 Cr N4 O2
• SMILES: [Cr]12([O]=C(Nc3c(cccc3CC)CC)c3cccc4ccc([n]2c34)c2[n]1c1ccccc1[nH]2)(OC)(Cl)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: 9.4487 ± 0.0019 Å
• b: 10.408 ± 0.002 Å
• c: 16.144 ± 0.003 Å
• α: 84.1 ± 0.03°
• β: 73.53 ± 0.03°
• γ: 79.76 ± 0.03°
• Cell volume: 1495.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1253
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2599
• Weighted residual factors for all reflections included in the refinement: 0.2783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No