Information card for entry 7709267

Structure parameters

• Formula: C36 H46 Cd3 N7 O16
• Calculated formula: C36 H46 Cd3 N7 O16
• Title of publication: Amine-substituent induced highly selective and rapid "turn-on" detection of carcinogenic 1,4-dioxane from purely aqueous and vapour phase with novel post-synthetically modified d¹⁰-MOFs.
• Authors of publication: Mondal, Udayan; Bej, Sourav; Hazra, Abhijit; Mandal, Sukdeb; Pal, Tapan K.; Banerjee, Priyabrata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 2083 - 2093
• a: 13.3983 ± 0.0004 Å
• b: 10.3191 ± 0.0003 Å
• c: 16.2707 ± 0.0005 Å
• α: 90°
• β: 104.988 ± 0.001°
• γ: 90°
• Cell volume: 2173.03 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.043
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No