Information card for entry 7242758

Structure parameters

• Common name: Cadmium-organic Compound
• Formula: C11 H7 Cd N O5 S
• Calculated formula: C11 H7 Cd N O5 S
• Title of publication: Photophysical studies of a room temperature phosphorescent Cd(ii) based MOF and its application towards ratiometric detection of Hg2+ ions in water
• Authors of publication: Majee, Prakash; Singha, Debal Kanti; Daga, Pooja; Hui, Sayani; Mahata, Partha; Mondal, Sudip Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 23
• Pages of publication: 4160 - 4168
• a: 3.8289 ± 0.0004 Å
• b: 17.8979 ± 0.0017 Å
• c: 16.8534 ± 0.0016 Å
• α: 90°
• β: 92.005 ± 0.003°
• γ: 90°
• Cell volume: 1154.2 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0378
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.361
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No