Information card for entry 1551276

Structure parameters

• Formula: C10 H13 N5 O4 Zn
• Calculated formula: C10 H13 N5 O4 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: 9.602 ± 0.004 Å
• b: 9.035 ± 0.003 Å
• c: 11.675 ± 0.006 Å
• α: 90°
• β: 112.41 ± 0.05°
• γ: 90°
• Cell volume: 936.4 ± 0.8 ų
• Cell temperature: 240 ± 0.1 K
• Ambient diffraction temperature: 240 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1664
• Residual factor for significantly intense reflections: 0.1235
• Weighted residual factors for significantly intense reflections: 0.3175
• Weighted residual factors for all reflections included in the refinement: 0.3551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No