Information card for entry 1575402

Structure parameters

• Formula: C50 H50 Cu N6 O14
• Calculated formula: C50 H38 Cu0.999 N4 O2
• Title of publication: Robust copper-based cationic metal-organic frameworks for efficient sequestration of perrhenate/pertechnetate.
• Authors of publication: Wang, Wenchang; Li, Lei; Zhang, Meiyu; Kang, Kang; Xiao, Chengliang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 36
• Pages of publication: 13529 - 13539
• a: 12.9504 ± 0.0018 Å
• b: 12.9504 ± 0.0018 Å
• c: 15.371 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2577.9 ± 0.7 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 90
• Hermann-Mauguin space group symbol: P 4 21 2
• Hall space group symbol: P 4ab 2ab
• Residual factor for all reflections: 0.1228
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2736
• Weighted residual factors for all reflections included in the refinement: 0.2887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No