Information card for entry 4003149

Structure parameters

• Common name: MPAF-1
• Formula: C33 H15 Cu6 N6 O19
• Calculated formula: C33 H15 Cu6 N6 O19
• Title of publication: Remote Stabilization of Copper Paddlewheel Based Molecular Building Blocks in Metal‒Organic Frameworks
• Authors of publication: Gao, Wen-Yang; Cai, Rong; Pham, Tony; Forrest, Katherine A.; Hogan, Adam; Nugent, Patrick; Williams, Kia; Wojtas, Lukasz; Luebke, Ryan; Weseliński, Łukasz J.; Zaworotko, Michael J.; Space, Brian; Chen, Yu-Sheng; Eddaoudi, Mohamed; Shi, Xiaodong; Ma, Shengqian
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 2144
• a: 44.588 ± 0.003 Å
• b: 44.588 ± 0.003 Å
• c: 44.588 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 88645 ± 10 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No