Information card for entry 4064789

Structure parameters

• Formula: C20 H20 Cl2 Co N4 O
• Calculated formula: C20 H20 Cl2 Co N4 O
• SMILES: [Co]1([n]2c3c(ccc2C)cccc3c2[nH]c3c([n]12)cccc3)(Cl)Cl.O=CN(C)C
• 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: 7.7167 ± 0.0015 Å
• b: 21.352 ± 0.004 Å
• c: 12.813 ± 0.003 Å
• α: 90°
• β: 102.93 ± 0.03°
• γ: 90°
• Cell volume: 2057.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No