Information card for entry 7134010

Structure parameters

• Formula: C192 H100 Cr6 O38
• Calculated formula: C192 H100 Cr6 O38
• Title of publication: Porous MOFs with geometric mismatch between trimers and octatopic pyrene-based ligands for low-temperature methane storage.
• Authors of publication: Wang, Kun; Cao, Honghao; Zhong, Yuanlong; Yang, Zhenning; Shi, Hancheng; Xiong, Zhangyi; Mu, Yuqiao; Chen, Zhijie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 100
• Pages of publication: 15055 - 15058
• a: 27.956 ± 0.007 Å
• b: 18.611 ± 0.005 Å
• c: 40.282 ± 0.011 Å
• α: 90°
• β: 93.679 ± 0.006°
• γ: 90°
• Cell volume: 20915 ± 10 ų
• Cell temperature: 275 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7085 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No