Information card for entry 1551248

Structure parameters

• Formula: C18.5 H25.5 N2.5 O9.5 Zn2
• Calculated formula: C14 H15 N O8 Zn2
• Title of publication: Upcycling a plastic cup: one-pot synthesis of lactate containing metal organic frameworks from polylactic acid
• Authors of publication: Slater, Benjamin; Wong, So-On; Duckworth, Andrew; White, Andrew J. P.; Hill, Matthew R.; Ladewig, Bradley P.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 51
• Pages of publication: 7319 - 7322
• a: 10.3034 ± 0.0004 Å
• b: 11.7652 ± 0.0009 Å
• c: 20.357 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2467.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No