Information card for entry 7134009

Structure parameters

• Formula: C192 H100 Fe6 O38
• Calculated formula: C192 H100 Fe6 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: 27.88 ± 0.009 Å
• b: 19.22 ± 0.007 Å
• c: 40.725 ± 0.015 Å
• α: 90°
• β: 94.444 ± 0.01°
• γ: 90°
• Cell volume: 21757 ± 13 ų
• Cell temperature: 273 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: 0.0704
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.68883 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No