Information card for entry 7133524

Structure parameters

• Formula: C21 H12 Cl3 N3 Se3
• Calculated formula: C21 H12 Cl3 N3 Se3
• Title of publication: Removal of mercury and lead ions from water using bioinspired N₃Se₃ type small sized moieties.
• Authors of publication: Chaurasia, Avinash; Kumar, Abhishek
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 72
• Pages of publication: 9841 - 9844
• a: 24.4179 ± 0.0006 Å
• b: 8.94957 ± 0.00018 Å
• c: 10.6055 ± 0.0003 Å
• α: 90°
• β: 97.759 ± 0.002°
• γ: 90°
• Cell volume: 2296.4 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No