Information card for entry 7717310

Structure parameters

• Formula: C13 H20 Cl2 Fe N3.5 O0.12
• Calculated formula: C13 H21 Cl2 Fe N3 O0.5
• Title of publication: Achieving isopropenyl-enriched polyisoprene: unraveling the role of bidentate <i>vs.</i> tridentate iron precatalysts through ligand framework design.
• Authors of publication: Sohail, Sunny; Ma, Yanping; Mahmood, Qaiser; Hu, Zexu; Wang, Yizhou; Liang, Tongling; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 48
• Pages of publication: 19325 - 19336
• a: 14.8062 ± 0.0004 Å
• b: 10.1238 ± 0.0003 Å
• c: 21.345 ± 0.0007 Å
• α: 90°
• β: 90.579 ± 0.003°
• γ: 90°
• Cell volume: 3199.35 ± 0.17 ų
• Cell temperature: 170 ± 0.4 K
• Ambient diffraction temperature: 170 ± 0.4 K
• Number of distinct elements: 6
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No