Information card for entry 7250693

Structure parameters

• Chemical name: BUT-58
• Formula: C12 H8 N4 O0.5 Zn
• Calculated formula: C12 H8 N4 O0.5 Zn
• Title of publication: The use of a dynamic solvent system as a novel approach to sustainable MOF crystallization
• Authors of publication: Shupletsov, Leonid; Schieck, Alina C.; Senkovska, Irena; Bon, Volodymyr; Kaskel, Stefan
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 34
• Pages of publication: 10218 - 10233
• a: 16.3434 ± 0.0002 Å
• b: 16.3434 ± 0.0002 Å
• c: 12.5154 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3342.95 ± 0.08 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No