Information card for entry 1576491

Structure parameters

• Formula: C42 H30 Co3 N12
• Calculated formula: C42 H30 Co3 N12
• 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, Andrew Ken; Henke, Sebastian
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 11.34 ± 0.002 Å
• b: 14.68 ± 0.003 Å
• c: 14.61 ± 0.003 Å
• α: 111.07 ± 0.03°
• β: 108.14 ± 0.03°
• γ: 94.47 ± 0.03°
• Cell volume: 2106.7 ± 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: 0.199
• Residual factor for significantly intense reflections: 0.1501
• Weighted residual factors for significantly intense reflections: 0.3922
• Weighted residual factors for all reflections included in the refinement: 0.4509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No