Information card for entry 1569889

Structure parameters

• Formula: C13 H30 Cl2 Fe N6
• Calculated formula: C13 H30 Cl2 Fe N6
• SMILES: [Fe]1(Cl)([N](=C(N(C)C)N(C)C)CCC[N]1=C(N(C)C)N(C)C)Cl
• 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: 9.3007 ± 0.0019 Å
• b: 9.83 ± 0.002 Å
• c: 12.49 ± 0.003 Å
• α: 69.47 ± 0.03°
• β: 87.94 ± 0.03°
• γ: 65.38 ± 0.03°
• Cell volume: 964 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No