Information card for entry 4517895

Structure parameters

• Formula: C28 H37 Cl Fe I4 N5 O5
• Calculated formula: C28 H37 Cl Fe I4 N5 O5
• SMILES: Ic1cc2c(O[Fe]34(Cl)(Oc5c(cc(I)cc5I)C=[N]3CC(C[N]4=C2)(C)C)[O]=CN(C)C)c(I)c1.O=CN(C)C.N(C=O)(C)C
• Title of publication: Iron Complexes Anchored onto Magnetically Separable Graphene Oxide Sheets: An Excellent Catalyst for the Synthesis of Dihydroquinazoline-Based Compounds
• Authors of publication: Chakraborty, Aratrika; Chowdhury, Tania; Menéndez, María Isabel; Chattopadhyay, Tanmay
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2020
• a: 8.3566 ± 0.0004 Å
• b: 11.5633 ± 0.0006 Å
• c: 21.3776 ± 0.0011 Å
• α: 85.813 ± 0.002°
• β: 86.27 ± 0.002°
• γ: 69.084 ± 0.002°
• Cell volume: 1922.76 ± 0.17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No