Information card for entry 1551265

Structure parameters

• Formula: C12 H19 N5 O5 S Zn
• Calculated formula: C12 H19 N5 O5 S Zn
• Title of publication: Chemical control of structure and guest uptake by a conformationally mobile porous material
• Authors of publication: Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky
• Journal of publication: Nature
• Year of publication: 2019
• Journal volume: 565
• Pages of publication: 213 - 217
• a: 9.5645 ± 0.0005 Å
• b: 9.0405 ± 0.0005 Å
• c: 10.4571 ± 0.001 Å
• α: 90°
• β: 105.264 ± 0.008°
• γ: 90°
• Cell volume: 872.31 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1564
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No