Information card for entry 7237665

Structure parameters

• Formula: C9 H4 N O6 Pb
• Calculated formula: C9 H4 N O6 Pb
• Title of publication: A Ca2+ MOF combining highly efficient sorption and capability for voltammetric determination of heavy metal ions in aqueous media
• Authors of publication: Pournara, Anastasia D.; Margariti, Antigoni; Tarlas, Georgios D.; Kourtelaris, Andreas; Petkov, Valeri; Kokkinos, Christos; Economou, Anastasios; Papaefstathiou, Giannis S.; Manos, Manolis J.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 25
• Pages of publication: 15432
• a: 4.1673 ± 0.0002 Å
• b: 25.707 ± 0.002 Å
• c: 18.2223 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1952.1 ± 0.2 ų
• Cell temperature: 106.6 ± 0.2 K
• Ambient diffraction temperature: 106.6 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2808
• Weighted residual factors for all reflections included in the refinement: 0.3049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No