Information card for entry 1569888

Structure parameters

• Formula: C12 H20 Cl2 Fe N4
• Calculated formula: C12 H20 Cl2 Fe N4
• SMILES: [N]1(=C(N(C)C)N(C)C)[Fe](Cl)(Cl)[n]2c(CC1)cccc2
• Title of publication: Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide
• Authors of publication: Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 6006 - 6021
• a: 8.7832 ± 0.0018 Å
• b: 11.895 ± 0.002 Å
• c: 15.221 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1590.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No