Information card for entry 7235741

Structure parameters

• Formula: C40 H58 Cl2 Hg2 N4 O18 S2
• Calculated formula: C40 H58 Cl2 Hg2 N4 O18 S2
• Title of publication: Highly efficient coordination of Hg2+and Pb2+metals in water with squaramide-coated Fe3O4nanoparticles
• Authors of publication: López, Kenia A.; Piña, M. Nieves; Quiñonero, David; Ballester, Pablo; Morey, Jeroni
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 23
• Pages of publication: 8796
• a: 12.4915 ± 0.0011 Å
• b: 8.6489 ± 0.0007 Å
• c: 22.5002 ± 0.0019 Å
• α: 90°
• β: 90.477 ± 0.003°
• γ: 90°
• Cell volume: 2430.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No