Information card for entry 1546999

Structure parameters

• Formula: C48 H48 Mn12 N72 O12
• Calculated formula: C48 H48 Mn12 N72 O12.16
• Title of publication: Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment
• Authors of publication: He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 18.143 ± 0.004 Å
• b: 18.143 ± 0.004 Å
• c: 18.143 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5972 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No