Information card for entry 4064792

Structure parameters

• Formula: C20 H19 Cl2 Co N3
• Calculated formula: C20 H19 Cl2 Co N3
• SMILES: [Co]1(Cl)([n]2c(n(C)c3ccccc23)c2c3[n]1c(CCC)ccc3ccc2)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: 9.1295 ± 0.0018 Å
• b: 9.4876 ± 0.0019 Å
• c: 11.438 ± 0.002 Å
• α: 82.15 ± 0.03°
• β: 85.23 ± 0.03°
• γ: 73.3 ± 0.03°
• Cell volume: 939 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No