Information card for entry 7031208

Structure parameters

• Formula: C11 H7 Cl2 Fe N5
• Calculated formula: C11 H7 Cl2 Fe N5
• SMILES: c1cc2[n]3[Fe](Cl)([n]4c2cc[nH]4)([n]2c(c3c1)cc[nH]2)Cl
• Title of publication: Synthesis and structure of a ferric complex of 2,6-di(1H-pyrazol-3-yl)pyridine and its excellent performance in the redox-controlled living ring-opening polymerization of ε-caprolactone.
• Authors of publication: Fang, Yang-Yang; Gong, Wei-Jie; Shang, Xiu-Juan; Li, Hong-Xi; Gao, Jun; Lang, Jian-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 22
• Pages of publication: 8282 - 8289
• a: 10.221 ± 0.002 Å
• b: 17.195 ± 0.003 Å
• c: 7.9908 ± 0.0016 Å
• α: 90°
• β: 104.4 ± 0.03°
• γ: 90°
• Cell volume: 1360.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No