Information card for entry 7208007

Structure parameters

• Formula: C28 H20 Cu2 N9 O8
• Calculated formula: C28 H20 Cu2 N9 O8
• Title of publication: Two metal‒organic frameworks with unique high-connected binodal network topologies: synthesis, structures, and catalytic properties
• Authors of publication: Cui, Guang-Hua; He, Cui-Hong; Jiao, Cui-Huan; Geng, Jian-Chen; Blatov, Vladislav A.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 4210
• a: 15.0607 ± 0.0012 Å
• b: 12.1512 ± 0.001 Å
• c: 16.2654 ± 0.0013 Å
• α: 90°
• β: 113.337 ± 0.001°
• γ: 90°
• Cell volume: 2733.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No