Information card for entry 7211036

Structure parameters

• Formula: C24 H21 Cu N O5
• Calculated formula: C24 H21 Cu N O5
• Title of publication: Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control
• Authors of publication: He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9340
• a: 29.26 ± 0.04 Å
• b: 9.821 ± 0.014 Å
• c: 18.95 ± 0.03 Å
• α: 90°
• β: 113.821 ± 0.017°
• γ: 90°
• Cell volume: 4982 ± 13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.2105
• Weighted residual factors for all reflections included in the refinement: 0.232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.707
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No