Information card for entry 1551274

Structure parameters

• Formula: C10 H14 N5 O4.5 Zn
• Calculated formula: C10 H14 N5 O4.5 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: 7.2589 ± 0.0008 Å
• b: 9.1136 ± 0.0006 Å
• c: 19.0252 ± 0.0011 Å
• α: 90°
• β: 90.887 ± 0.007°
• γ: 90°
• Cell volume: 1258.46 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1537
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No