Information card for entry 7238781

Structure parameters

• Formula: C77 H93 Cd2 N7 Ni2 O19
• Calculated formula: C68 H64 Cd2 N4 Ni2 O16
• Title of publication: Ni(salphen)-based metal‒organic framework for the synthesis of cyclic carbonates by cycloaddition of CO2 to epoxides
• Authors of publication: Ren, Yanwei; Shi, Yanchao; Chen, Junxian; Yang, Shaorong; Qi, Chaorong; Jiang, Huanfeng
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 2167
• a: 16.348 ± 0.003 Å
• b: 16.635 ± 0.003 Å
• c: 20.293 ± 0.004 Å
• α: 89.29 ± 0.03°
• β: 87.12 ± 0.03°
• γ: 68.48 ± 0.03°
• Cell volume: 5127 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No