Information card for entry 1568536

Structure parameters

• Formula: C18 H10 N5 O5 Pb
• Calculated formula: C18 H10 N5 O5 Pb
• Title of publication: A bifunctionalised Pb-based MOF for iodine capture and dye removal
• Authors of publication: Kamal, Samrah; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 14
• Pages of publication: 4501 - 4516
• a: 8.2616 ± 0.0003 Å
• b: 9.3161 ± 0.0004 Å
• c: 10.9658 ± 0.0004 Å
• α: 99.275 ± 0.001°
• β: 93.184 ± 0.001°
• γ: 96.722 ± 0.001°
• Cell volume: 824.85 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0461
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No