Information card for entry 1572385

Structure parameters

• Formula: C32 H33 Cl2 Fe N5 O4
• Calculated formula: C32 H33 Cl2 Fe N5 O4
• Title of publication: Catalytic polymerization of isoprene using an ultrahigh active iron(ii) complex with an ortho-modified 1,10-phenanthroline ligand, access to a thermal plastic rubber
• Authors of publication: Ge, Jiajia; Chen, Binghui; Gong, Dirong
• Journal of publication: Polymer Chemistry
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 3751 - 3762
• a: 9.9973 ± 0.0004 Å
• b: 10.5261 ± 0.0004 Å
• c: 15.941 ± 0.0006 Å
• α: 89.362 ± 0.003°
• β: 75.855 ± 0.003°
• γ: 75.243 ± 0.003°
• Cell volume: 1570.66 ± 0.11 ų
• Cell temperature: 100.03 ± 0.1 K
• Ambient diffraction temperature: 100.03 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No