Information card for entry 7243491

Structure parameters

• Common name: PUM168@propofol
• Formula: C126.62 H125.75 N7.62 O20.25 Zn3
• Calculated formula: C126.625 H125.75 N7.625 O20.25 Zn3
• Title of publication: Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework
• Authors of publication: Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 41
• Pages of publication: 7262 - 7269
• a: 15.263 ± 0.003 Å
• b: 30.497 ± 0.006 Å
• c: 26.95 ± 0.005 Å
• α: 89.2 ± 0.03°
• β: 82.16 ± 0.03°
• γ: 87.8 ± 0.03°
• Cell volume: 12418 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2695
• Weighted residual factors for all reflections included in the refinement: 0.2716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No