Information card for entry 7060139

Structure parameters

• Formula: C50 H96 Fe6 N10 O22
• Calculated formula: C50 H96 Fe6 N10 O22
• Title of publication: Cationic dye adsorption and separation at discrete molecular level: first example of an iron cluster with rapid and selective adsorption of methylene blue from aqueous system
• Authors of publication: Akhtar, Muhammad Nadeem; I., Mantasha; Shahid, M.; AlDamen, Murad A.; Khalid, Muhammad; Akram, Muhammad
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1415 - 1422
• a: 11.1603 ± 0.0006 Å
• b: 22.0801 ± 0.001 Å
• c: 14.1151 ± 0.0006 Å
• α: 90°
• β: 96.41 ± 0.002°
• γ: 90°
• Cell volume: 3456.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• 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: 0.0689
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No