Information card for entry 4517894

Structure parameters

• Formula: C46 H46 Br8 Cl2 Fe2 N8 O7
• Calculated formula: C46 H46 Br8 Cl2 Fe2 N8 O7
• 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: 15.6929 ± 0.0017 Å
• b: 13.9942 ± 0.0015 Å
• c: 27.243 ± 0.003 Å
• α: 90°
• β: 98.547 ± 0.008°
• γ: 90°
• Cell volume: 5916.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1348
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No