Information card for entry 1569887

Structure parameters

• Formula: C12 H28 Cl2 Fe N6
• Calculated formula: C12 H28 Cl2 Fe N6
• SMILES: C(=[N]1CC[N]([Fe]1(Cl)Cl)=C(N(C)C)N(C)C)(N(C)C)N(C)C
• 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: 18.177 ± 0.004 Å
• b: 7.3979 ± 0.0015 Å
• c: 13.815 ± 0.003 Å
• α: 90°
• β: 102.03 ± 0.03°
• γ: 90°
• Cell volume: 1816.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0393
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No