Information card for entry 7717127

Structure parameters

• Formula: C21.13 H10.4 F2 N1.13 O4 S0.37 Zn
• Calculated formula: C21.1335 H10.399 F2 N1.1335 O4 S0.3665 Zn
• Title of publication: A 2-fold interpenetrating 3D pillar-layered MOF for the gas separation and detection of metal ions.
• Authors of publication: Peng, Guoqiang; Su, Zhibo; Hu, Falu; Ji, Zhenyu; Di, Zhengyi; Li, Guihua; Gao, Tingting; Zhou, Guowei; Wu, Mingyan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 41
• Pages of publication: 16815 - 16820
• a: 15.8989 ± 0.0006 Å
• b: 28.7314 ± 0.001 Å
• c: 10.1425 ± 0.0004 Å
• α: 90°
• β: 98.472 ± 0.002°
• γ: 90°
• Cell volume: 4582.5 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No