Information card for entry 7236333

Structure parameters

• Formula: C54 H36 Co3 N42 O0 S6
• Calculated formula: C54 H36 Co3 N42 S6
• Title of publication: In situ large-scale construction of sulfur-functionalized metal‒organic framework and its efficient removal of Hg(ii) from water
• Authors of publication: Liang, Linfeng; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Qian, Jinjie; Lv, Guangxun; Xue, Hui; Liu, Luyao; Jiang, Hai-Long; Hong, Maochun
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 40
• Pages of publication: 15370
• a: 23.3588 ± 0.0003 Å
• b: 23.3588 ± 0.0003 Å
• c: 31.3531 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17107.3 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2475
• Weighted residual factors for all reflections included in the refinement: 0.2598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No