Information card for entry 7133307

Structure parameters

• Formula: C16 H8 N4 O9 Zn
• Calculated formula: C16 H8 N4 O9 Zn
• Title of publication: Visual detection and efficient capture of hydrogen chloride and ammonia vapours by a sustainable dual emissive metal-organic framework.
• Authors of publication: Dinda, Susanta; Deb, Sourav; Mahato, Bidyadhar; Baitalik, Sujoy; Ghoshal, Debajyoti
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 64
• Pages of publication: 8466 - 8469
• a: 8.0263 ± 0.0014 Å
• b: 8.9753 ± 0.0015 Å
• c: 13.924 ± 0.003 Å
• α: 95.081 ± 0.005°
• β: 93.392 ± 0.005°
• γ: 92.034 ± 0.005°
• Cell volume: 996.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No