Information card for entry 4064791

Structure parameters

• Formula: C18 H15 Cl2 Co N3
• Calculated formula: C18 H15 Cl2 Co N3
• SMILES: [Co]1([n]2c(CC)ccc3c2c(c2[n]1c1ccccc1[nH]2)ccc3)(Cl)Cl
• Title of publication: Dichlorocobalt(II) Complexes Ligated by Bidentate 8-(Benzoimidazol-2-yl)quinolines: Synthesis, Characterization, and Catalytic Behavior toward Ethylene
• Authors of publication: Xiao, Tianpengfei; Hao, Peng; Kehr, Gerald; Hao, Xiang; Erker, Gerhard; Sun, Wen-Hua
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 18
• Pages of publication: 4847
• a: 10.123 ± 0.002 Å
• b: 13.542 ± 0.003 Å
• c: 12.829 ± 0.003 Å
• α: 90°
• β: 109.13 ± 0.03°
• γ: 90°
• Cell volume: 1661.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No