Information card for entry 7048684

Structure parameters

• Formula: C94 H84 Cd3 N6 O18
• Calculated formula: C94 H84 Cd3 N6 O18
• Title of publication: A carbazole-functionalized metal-organic framework for efficient detection of antibiotics, pesticides and nitroaromatic compounds.
• Authors of publication: Xu, Ning; Zhang, Qinghua; Zhang, Guoan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 2683 - 2691
• a: 13.364 ± 0.0002 Å
• b: 14.8268 ± 0.0003 Å
• c: 17.2128 ± 0.0003 Å
• α: 88.1 ± 0.001°
• β: 82.458 ± 0.001°
• γ: 84.075 ± 0.001°
• Cell volume: 3362.4 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No