Information card for entry 7237638

Structure parameters

• Formula: C23 H19 Cl2 Cu N3 O2
• Calculated formula: C23 H19 Cl2 Cu N3 O2
• Title of publication: A copperohydrogel as a chemosensor for selective detection of oxometalate anions in water
• Authors of publication: Khavasi, Hamid Reza; Jelokhani, Elham
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 6638
• a: 25.287 ± 0.004 Å
• b: 14.2223 ± 0.0018 Å
• c: 13.78 ± 0.002 Å
• α: 90°
• β: 121.338 ± 0.009°
• γ: 90°
• Cell volume: 4232.8 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No