Information card for entry 7126693

Structure parameters

• Formula: C40 H23 Li2 N5 O18 Zn2
• Calculated formula: C40 H18 Li2 N5 O18 Zn2
• Title of publication: Exceptionally effective benzene/cyclohexane separation using a nitro-decorated metal-organic framework.
• Authors of publication: Sapianik, Aleksandr A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Barsukova, Marina O.; Dybtsev, Danil N.; Fedin, Vladimir P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 59
• Pages of publication: 8241 - 8244
• a: 18.477 ± 0.003 Å
• b: 17.976 ± 0.003 Å
• c: 17.533 ± 0.003 Å
• α: 90°
• β: 117.21 ± 0.02°
• γ: 90°
• Cell volume: 5179 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2617
• Weighted residual factors for all reflections included in the refinement: 0.2702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.79312 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No