Information card for entry 7701593

Structure parameters

• Formula: C12 H18 Cl2 Fe N2
• Calculated formula: C12 H18 Cl2 Fe N2
• Title of publication: Synthesis and characterization of aminopyridine iron(ii) chloride catalysts for isoprene polymerization: sterically controlled monomer enchainment.
• Authors of publication: Jing, Chuyang; Wang, Liang; Mahmood, Qaiser; Zhao, Mengmeng; Zhu, Guangqian; Zhang, Xianhui; Wang, Xiaowu; Wang, Qinggang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 22
• Pages of publication: 7862 - 7874
• a: 9.154 ± 0.0008 Å
• b: 6.8673 ± 0.0006 Å
• c: 42.281 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2657.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1255
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No