Information card for entry 4347733

Structure parameters

• Formula: C17 H11 Cu N3 O4
• Calculated formula: C17 H11 Cu N3 O4
• Title of publication: Bis(carboxyphenyl)-1,2,4-triazole Based Metal-Organic Frameworks: Impact of Metal Ion Substitution on Adsorption Performance.
• Authors of publication: Kobalz, K.; Kobalz, M.; Möllmer, J; Junghans, U.; Lange, M.; Bergmann, J.; Dietrich, S.; Wecks, M.; Gläser, R; Krautscheid, H.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 14
• Pages of publication: 6938 - 6948
• a: 16.6446 ± 0.0016 Å
• b: 16.6446 ± 0.0016 Å
• c: 11.9628 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3314.2 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No