Information card for entry 4064788

Structure parameters

• Formula: C19 H17 Cl2 Fe N3
• Calculated formula: C19 H17 Cl2 Fe N3
• SMILES: [Fe]1([n]2c3c([nH]c2c2c4[n]1c(CCC)ccc4ccc2)cccc3)(Cl)Cl
• Title of publication: Bidentate Iron(II) Dichloride Complexes Bearing Substituted 8-(Benzimidazol-2-yl)quinolines: Synthesis, Characterization, and Ethylene Polymerization Behavior
• Authors of publication: Xiao, Tianpengfei; Zhang, Shu; Kehr, Gerald; Hao, Xiang; Erker, Gerhard; Sun, Wen-Hua
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 13
• Pages of publication: 3658
• a: 14.916 ± 0.003 Å
• b: 15.255 ± 0.003 Å
• c: 15.909 ± 0.003 Å
• α: 90°
• β: 94.98 ± 0.03°
• γ: 90°
• Cell volume: 3606.3 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No