Information card for entry 7242413

Structure parameters

• Formula: C48 H68 Cd2 N6 O24 P6
• Calculated formula: C48 H68 Cd2 N6 O24 P6
• Title of publication: A water-stable molecular cadmium phosphonate bearing 2-(2-pyridyl)benzimidazole as a highly sensitive luminescence sensor for the selective detection of bisphenol AF and bisphenol B
• Authors of publication: Wu, Jing-Yun; Hu, Zhi-Jia; Sung, Hui-Ling
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 15
• Pages of publication: 2842 - 2853
• a: 10.4889 ± 0.0006 Å
• b: 11.1126 ± 0.0007 Å
• c: 13.9538 ± 0.0008 Å
• α: 99.969 ± 0.002°
• β: 111.335 ± 0.002°
• γ: 90.59 ± 0.002°
• Cell volume: 1487.34 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No