Information card for entry 1576492

Structure parameters

• Formula: C42 H30 N12 Zn3
• Calculated formula: C42 H30 N12 Zn3
• Title of publication: Deciphering the guest-free crystal structures and thermal breathing of the flexible metal-organic frameworks ZIF-7 and ZIF-9.
• Authors of publication: Koutsianos, Athanasios; Svensson Grape, Erik; Pallach, Roman; Keupp, Julian; Schmid, Rochus; Inge, A. Ken; Henke, Sebastian
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 7185 - 7193
• a: 11.71 ± 0.002 Å
• b: 14.85 ± 0.003 Å
• c: 14.93 ± 0.003 Å
• α: 111.08 ± 0.03°
• β: 108.69 ± 0.03°
• γ: 94.67 ± 0.03°
• Cell volume: 2237.2 ± 1.1 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.231
• Residual factor for significantly intense reflections: 0.1661
• Weighted residual factors for significantly intense reflections: 0.4142
• Weighted residual factors for all reflections included in the refinement: 0.471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No