Information card for entry 1551264

Structure parameters

• Chemical name: Zn-GGH
• Formula: C12.73 H19.38 N5.91 O4.91 Zn
• Calculated formula: C12.73 H19.37 N5.91 O4.91 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: 9.6261 ± 0.0006 Å
• b: 9.0444 ± 0.0005 Å
• c: 11.6284 ± 0.001 Å
• α: 90°
• β: 112.735 ± 0.008°
• γ: 90°
• Cell volume: 933.73 ± 0.12 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0788
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No