Information card for entry 7128762

Structure parameters

• Formula: C34 H28 Cl Mn2 N13 O8 S2
• Calculated formula: C34 H28 Cl Mn2 N13 O8 S2
• Title of publication: A well-defined dual Mn-site based metal-organic framework to promote CO₂ reduction/evolution in Li-CO₂ batteries.
• Authors of publication: Dong, Long-Zhang; Zhang, Yu; Lu, Yun-Feng; Zhang, Lei; Huang, Xin; Wang, Jian-Hui; Liu, Jiang; Li, Shun-Li; Lan, Ya-Qian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 71
• Pages of publication: 8937 - 8940
• a: 21.678 ± 0.006 Å
• b: 13.712 ± 0.004 Å
• c: 15.918 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4732 ± 2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 53
• Hermann-Mauguin space group symbol: P m n a
• Hall space group symbol: -P 2ac 2
• Residual factor for all reflections: 0.1537
• Residual factor for significantly intense reflections: 0.1289
• Weighted residual factors for significantly intense reflections: 0.2663
• Weighted residual factors for all reflections included in the refinement: 0.2821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No